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COC(=O)[C@H](CC(=O)[O-])NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000737562775 600243930 /nfs/dbraw/zinc/24/39/30/600243930.db2.gz BIIWBIBRCPBMFI-STQMWFEESA-N 0 1 385.417 -1.168 20 0 GAADMN Cn1c(C(=O)N=c2cc[nH]cc2-c2nn[nH]n2)cc2c1n(C)c(=O)n(C)c2=O ZINC000737589308 599387587 /nfs/dbraw/zinc/38/75/87/599387587.db2.gz NIPZUQSBMAIJBZ-UHFFFAOYSA-N 0 1 381.356 -1.175 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1C[C@H](C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737589546 600207581 /nfs/dbraw/zinc/20/75/81/600207581.db2.gz COGLKQYMPFAGSW-FRRDWIJNSA-N 0 1 384.433 -1.739 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1C[C@H](C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737589546 600207579 /nfs/dbraw/zinc/20/75/79/600207579.db2.gz COGLKQYMPFAGSW-FRRDWIJNSA-N 0 1 384.433 -1.739 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1C[C@H](C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737589549 600207540 /nfs/dbraw/zinc/20/75/40/600207540.db2.gz COGLKQYMPFAGSW-JHJVBQTASA-N 0 1 384.433 -1.739 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1C[C@H](C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737589549 600207539 /nfs/dbraw/zinc/20/75/39/600207539.db2.gz COGLKQYMPFAGSW-JHJVBQTASA-N 0 1 384.433 -1.739 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737589551 600207572 /nfs/dbraw/zinc/20/75/72/600207572.db2.gz COGLKQYMPFAGSW-RWMBFGLXSA-N 0 1 384.433 -1.739 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000737589551 600207571 /nfs/dbraw/zinc/20/75/71/600207571.db2.gz COGLKQYMPFAGSW-RWMBFGLXSA-N 0 1 384.433 -1.739 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737589553 600207403 /nfs/dbraw/zinc/20/74/03/600207403.db2.gz COGLKQYMPFAGSW-YNEHKIRRSA-N 0 1 384.433 -1.739 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000737589553 600207400 /nfs/dbraw/zinc/20/74/00/600207400.db2.gz COGLKQYMPFAGSW-YNEHKIRRSA-N 0 1 384.433 -1.739 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[NH+](CC3CCOCC3)CC2)n(C)c1=O ZINC000737594830 599443223 /nfs/dbraw/zinc/44/32/23/599443223.db2.gz BFVJWLDFCBOJHN-UHFFFAOYSA-N 0 1 390.448 -1.187 20 0 GAADMN Cn1c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737596410 598374297 /nfs/dbraw/zinc/37/42/97/598374297.db2.gz NGXJBWDRLZUJIZ-JTQLQIEISA-N 0 1 391.436 -1.737 20 0 GAADMN Cn1c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737596410 598374295 /nfs/dbraw/zinc/37/42/95/598374295.db2.gz NGXJBWDRLZUJIZ-JTQLQIEISA-N 0 1 391.436 -1.737 20 0 GAADMN Cn1c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737596410 598374293 /nfs/dbraw/zinc/37/42/93/598374293.db2.gz NGXJBWDRLZUJIZ-JTQLQIEISA-N 0 1 391.436 -1.737 20 0 GAADMN Cn1c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737596411 598374813 /nfs/dbraw/zinc/37/48/13/598374813.db2.gz NGXJBWDRLZUJIZ-SNVBAGLBSA-N 0 1 391.436 -1.737 20 0 GAADMN Cn1c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737596411 598374811 /nfs/dbraw/zinc/37/48/11/598374811.db2.gz NGXJBWDRLZUJIZ-SNVBAGLBSA-N 0 1 391.436 -1.737 20 0 GAADMN Cn1c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737596411 598374809 /nfs/dbraw/zinc/37/48/09/598374809.db2.gz NGXJBWDRLZUJIZ-SNVBAGLBSA-N 0 1 391.436 -1.737 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n(C)c1=O ZINC000737597671 598673176 /nfs/dbraw/zinc/67/31/76/598673176.db2.gz UEZINIFVRIUFIN-GHMZBOCLSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n(C)c1=O ZINC000737597675 598673240 /nfs/dbraw/zinc/67/32/40/598673240.db2.gz UEZINIFVRIUFIN-MNOVXSKESA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n(C)c1=O ZINC000737597678 598673565 /nfs/dbraw/zinc/67/35/65/598673565.db2.gz UEZINIFVRIUFIN-QWRGUYRKSA-N 0 1 376.421 -1.701 20 0 GAADMN 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0 1 389.420 -1.721 20 0 GAADMN Cn1ccc(CN2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)cc1=O ZINC001070027359 1073525341 /nfs/dbraw/zinc/52/53/41/1073525341.db2.gz AXZRWTQGNKIROR-BARDWOONSA-N 0 1 385.428 -1.360 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C3CC3)n2)C[C@@H]1n1ccnn1 ZINC001070027706 1073525976 /nfs/dbraw/zinc/52/59/76/1073525976.db2.gz WJRHSCWDXOLFIZ-XQHKEYJVSA-N 0 1 385.432 -1.063 20 0 GAADMN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070196052 1073530853 /nfs/dbraw/zinc/53/08/53/1073530853.db2.gz IIXCWFCDXVIPCV-TUVASFSCSA-N 0 1 389.460 -1.233 20 0 GAADMN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)[C@@H](n3ccnn3)C2)C1 ZINC001070196761 1073530940 /nfs/dbraw/zinc/53/09/40/1073530940.db2.gz KMLWPBCOZHUUQW-KKOKHZNYSA-N 0 1 389.420 -1.442 20 0 GAADMN C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3nc(=O)n(C)[n-]3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070196774 1073531193 /nfs/dbraw/zinc/53/11/93/1073531193.db2.gz KWBCSSSLJSHNRP-SYQHCUMBSA-N 0 1 389.464 -1.418 20 0 GAADMN C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3nc(=O)n(C)[n-]3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070196774 1073531187 /nfs/dbraw/zinc/53/11/87/1073531187.db2.gz KWBCSSSLJSHNRP-SYQHCUMBSA-N 0 1 389.464 -1.418 20 0 GAADMN C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070197218 1073531266 /nfs/dbraw/zinc/53/12/66/1073531266.db2.gz UFIUOZYRKYFTNM-LPWJVIDDSA-N 0 1 375.437 -1.016 20 0 GAADMN O=C(CN[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1)N1CCOCC1 ZINC001070199022 1073530914 /nfs/dbraw/zinc/53/09/14/1073530914.db2.gz BOKPUCNRNZJFFM-KRXQYRFLSA-N 0 1 390.444 -1.485 20 0 GAADMN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070211515 1073531039 /nfs/dbraw/zinc/53/10/39/1073531039.db2.gz LTPTYNCTQUQUNJ-NOHGZBONSA-N 0 1 378.393 -1.553 20 0 GAADMN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070211553 1073531748 /nfs/dbraw/zinc/53/17/48/1073531748.db2.gz NLVVCDVMLQMWSI-FQLMCAECSA-N 0 1 378.433 -1.344 20 0 GAADMN Cn1nnc(CN[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]2n2ccnn2)n1 ZINC001070212357 1073531762 /nfs/dbraw/zinc/53/17/62/1073531762.db2.gz GGKOFYGQZMTNFJ-OXHZDVMGSA-N 0 1 383.420 -1.130 20 0 GAADMN Cn1nnnc1CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070212858 1073531681 /nfs/dbraw/zinc/53/16/81/1073531681.db2.gz UGISVHUOHJMMGB-OXHZDVMGSA-N 0 1 383.420 -1.130 20 0 GAADMN C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H](n3ccnn3)C2)O1 ZINC001070217940 1073532592 /nfs/dbraw/zinc/53/25/92/1073532592.db2.gz ZWSIQFKMOABEEQ-FVCCEPFGSA-N 0 1 391.436 -1.637 20 0 GAADMN C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H](n3ccnn3)C2)O1 ZINC001070217940 1073532583 /nfs/dbraw/zinc/53/25/83/1073532583.db2.gz ZWSIQFKMOABEEQ-FVCCEPFGSA-N 0 1 391.436 -1.637 20 0 GAADMN NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070218728 1073532551 /nfs/dbraw/zinc/53/25/51/1073532551.db2.gz QFKBBBNAXKOBNZ-DMWPJOQESA-N 0 1 392.338 -1.549 20 0 GAADMN NC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070236871 1073532617 /nfs/dbraw/zinc/53/26/17/1073532617.db2.gz OFZWJLMQAHCOBA-NDBYEHHHSA-N 0 1 379.421 -2.082 20 0 GAADMN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)O1 ZINC001070272223 1073533425 /nfs/dbraw/zinc/53/34/25/1073533425.db2.gz CAQTZVGVKHKFRX-MROQNXINSA-N 0 1 379.421 -2.259 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)[C@@H](n3ccnn3)C2)O1 ZINC001070273664 1073533518 /nfs/dbraw/zinc/53/35/18/1073533518.db2.gz AWLOEMUFURPGBD-VPOLOUISSA-N 0 1 391.392 -2.324 20 0 GAADMN Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2n2ccnn2)n[nH]1 ZINC001070273687 1073533445 /nfs/dbraw/zinc/53/34/45/1073533445.db2.gz BOXUKJQXBIOQPR-MROQNXINSA-N 0 1 389.420 -1.721 20 0 GAADMN Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2n2ccnn2)cn1 ZINC001070273708 1073533344 /nfs/dbraw/zinc/53/33/44/1073533344.db2.gz CDTGEBGWJHELHE-CBBWQLFWSA-N 0 1 388.432 -1.414 20 0 GAADMN Cn1cncc1CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070273765 1073533495 /nfs/dbraw/zinc/53/34/95/1073533495.db2.gz FPEZHBBDLUQTNV-CBBWQLFWSA-N 0 1 388.432 -1.414 20 0 GAADMN Cn1nccc1CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070274063 1073533371 /nfs/dbraw/zinc/53/33/71/1073533371.db2.gz PSQHMGFHQRILHA-CBBWQLFWSA-N 0 1 388.432 -1.414 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001070274105 1073533554 /nfs/dbraw/zinc/53/35/54/1073533554.db2.gz RWLIXFOAEKTYOG-ZOBORPQBSA-N 0 1 391.432 -2.115 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCc2n[nH]c(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070275287 1073534001 /nfs/dbraw/zinc/53/40/01/1073534001.db2.gz DQYHYIDRJXAQAM-XQHKEYJVSA-N 0 1 385.432 -1.063 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCC(=O)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070275290 1073534044 /nfs/dbraw/zinc/53/40/44/1073534044.db2.gz DUNLDJGEYSRQOM-RQJABVFESA-N 0 1 391.432 -2.400 20 0 GAADMN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070275372 1073534893 /nfs/dbraw/zinc/53/48/93/1073534893.db2.gz IWZZSSSMDMEYDF-KXNHARMFSA-N 0 1 389.420 -1.632 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCC(=O)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070275608 1073535004 /nfs/dbraw/zinc/53/50/04/1073535004.db2.gz VRWMPYIFHMNMTG-RQJABVFESA-N 0 1 375.433 -1.637 20 0 GAADMN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070275651 1073534867 /nfs/dbraw/zinc/53/48/67/1073534867.db2.gz YFQYUHCVAZLRPF-BARDWOONSA-N 0 1 389.460 -1.424 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)[C@@H](n3ccnn3)C2)C1 ZINC001070276308 1073535493 /nfs/dbraw/zinc/53/54/93/1073535493.db2.gz AKPLBEGLPZJOJM-KXNHARMFSA-N 0 1 389.420 -1.455 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070276353 1073535605 /nfs/dbraw/zinc/53/56/05/1073535605.db2.gz CIIZRSPAHZYZAB-BARDWOONSA-N 0 1 389.460 -1.247 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCC(=O)N2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001070276537 1073535481 /nfs/dbraw/zinc/53/54/81/1073535481.db2.gz LZGCAUZNKSRYQF-BARDWOONSA-N 0 1 389.460 -1.247 20 0 GAADMN Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@H]2n2ccnn2)n[nH]1 ZINC001070276675 1073535324 /nfs/dbraw/zinc/53/53/24/1073535324.db2.gz URRDDYLXWZARFJ-RQJABVFESA-N 0 1 387.448 -1.029 20 0 GAADMN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCC(=O)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070277015 1073535386 /nfs/dbraw/zinc/53/53/86/1073535386.db2.gz CRVHPFGGLQTSGH-AIANPOQGSA-N 0 1 392.460 -1.097 20 0 GAADMN NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@@H]1n1ccnn1 ZINC001070294377 1073536202 /nfs/dbraw/zinc/53/62/02/1073536202.db2.gz SWTIXYPCRHQFRN-HGTKMLMNSA-N 0 1 388.432 -1.593 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCc2cnon2)[nH]1 ZINC001070356247 1073536134 /nfs/dbraw/zinc/53/61/34/1073536134.db2.gz WNDSUPDVXOWUHR-USZNOCQGSA-N 0 1 390.404 -1.412 20 0 GAADMN CNC(=O)CN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001070379580 1073536310 /nfs/dbraw/zinc/53/63/10/1073536310.db2.gz RTWZKXWGDJAMJU-IATRGZMQSA-N 0 1 379.461 -1.671 20 0 GAADMN CN(C)C(=O)CN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001070379614 1073536032 /nfs/dbraw/zinc/53/60/32/1073536032.db2.gz UNRVEAROABUWLL-OEUWWYETSA-N 0 1 393.488 -1.329 20 0 GAADMN Cn1cnc([C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2NCC(N)=O)c1 ZINC001070513602 1073536750 /nfs/dbraw/zinc/53/67/50/1073536750.db2.gz XTPWIOLKPPZBIK-OSRDXIQISA-N 0 1 392.460 -1.398 20 0 GAADMN Cn1cnc([C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2NCC(N)=O)c1 ZINC001070517140 1073537238 /nfs/dbraw/zinc/53/72/38/1073537238.db2.gz ZODCFURJCSMORD-QMHOLRBPSA-N 0 1 377.445 -1.159 20 0 GAADMN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCC(N)=O)C2)O1 ZINC001070533743 1073537128 /nfs/dbraw/zinc/53/71/28/1073537128.db2.gz NZRZVZXWLGIPRW-PMOUVXMZSA-N 0 1 392.460 -1.575 20 0 GAADMN CNC(=O)CN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH]1 ZINC001070586294 1073537019 /nfs/dbraw/zinc/53/70/19/1073537019.db2.gz DVUQEGDHTRLBTN-MKWIENKSSA-N 0 1 390.444 -1.036 20 0 GAADMN CNC(=O)CN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n[nH]1 ZINC001070586294 1073537006 /nfs/dbraw/zinc/53/70/06/1073537006.db2.gz DVUQEGDHTRLBTN-MKWIENKSSA-N 0 1 390.444 -1.036 20 0 GAADMN CNC(=O)CN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH]1 ZINC001070586295 1073537204 /nfs/dbraw/zinc/53/72/04/1073537204.db2.gz DVUQEGDHTRLBTN-XMPVJMIMSA-N 0 1 390.444 -1.036 20 0 GAADMN CNC(=O)CN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n[nH]1 ZINC001070586295 1073537197 /nfs/dbraw/zinc/53/71/97/1073537197.db2.gz 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O=C(NCCN1CCC(Cc2ccccc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905027 1075071430 /nfs/dbraw/zinc/07/14/30/1075071430.db2.gz PGHKJMLPRVJHIV-FGTMMUONSA-N 0 1 394.468 -1.299 20 0 GAADMN O=C(NCCN1CCC(Cc2ccccc2)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905056 1075071497 /nfs/dbraw/zinc/07/14/97/1075071497.db2.gz PGHKJMLPRVJHIV-KZNAEPCWSA-N 0 1 394.468 -1.299 20 0 GAADMN O=C(NCCN1CCC(Cc2ccccc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905059 1075071454 /nfs/dbraw/zinc/07/14/54/1075071454.db2.gz PGHKJMLPRVJHIV-OKZBNKHCSA-N 0 1 394.468 -1.299 20 0 GAADMN O=C(NCCN1CCC(Cc2ccccc2)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905060 1075071519 /nfs/dbraw/zinc/07/15/19/1075071519.db2.gz PGHKJMLPRVJHIV-RCCFBDPRSA-N 0 1 394.468 -1.299 20 0 GAADMN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905659 1075071732 /nfs/dbraw/zinc/07/17/32/1075071732.db2.gz RMTIYYKOMZRQIK-ARFHVFGLSA-N 0 1 381.429 -1.946 20 0 GAADMN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905660 1075071738 /nfs/dbraw/zinc/07/17/38/1075071738.db2.gz RMTIYYKOMZRQIK-BZUAXINKSA-N 0 1 381.429 -1.946 20 0 GAADMN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905661 1075071741 /nfs/dbraw/zinc/07/17/41/1075071741.db2.gz RMTIYYKOMZRQIK-HRCADAONSA-N 0 1 381.429 -1.946 20 0 GAADMN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905662 1075071721 /nfs/dbraw/zinc/07/17/21/1075071721.db2.gz RMTIYYKOMZRQIK-OWCLPIDISA-N 0 1 381.429 -1.946 20 0 GAADMN CN1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2)CC1 ZINC001144906359 1075071949 /nfs/dbraw/zinc/07/19/49/1075071949.db2.gz SQDHBMIHPFNKDC-ARFHVFGLSA-N 0 1 381.429 -2.301 20 0 GAADMN CN1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2)CC1 ZINC001144906364 1075071958 /nfs/dbraw/zinc/07/19/58/1075071958.db2.gz SQDHBMIHPFNKDC-BZUAXINKSA-N 0 1 381.429 -2.301 20 0 GAADMN CN1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2)CC1 ZINC001144906367 1075071910 /nfs/dbraw/zinc/07/19/10/1075071910.db2.gz SQDHBMIHPFNKDC-HRCADAONSA-N 0 1 381.429 -2.301 20 0 GAADMN CN1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2)CC1 ZINC001144906371 1075071928 /nfs/dbraw/zinc/07/19/28/1075071928.db2.gz SQDHBMIHPFNKDC-OWCLPIDISA-N 0 1 381.429 -2.301 20 0 GAADMN COc1cccc(C[C@@H](N)C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC001144942989 1075077193 /nfs/dbraw/zinc/07/71/93/1075077193.db2.gz DMBGDAUXENRJKX-RVDTVVLCSA-N 0 1 384.429 -1.475 20 0 GAADMN COc1cccc(C[C@H](N)C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC001144942990 1075077187 /nfs/dbraw/zinc/07/71/87/1075077187.db2.gz DMBGDAUXENRJKX-VTJRLQQZSA-N 0 1 384.429 -1.475 20 0 GAADMN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146617699 1075081362 /nfs/dbraw/zinc/08/13/62/1075081362.db2.gz BWIBDEWSORNJLF-YRGRVCCFSA-N 0 1 387.414 -1.979 20 0 GAADMN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001146619941 1075081866 /nfs/dbraw/zinc/08/18/66/1075081866.db2.gz WBXAVXOAMJVBID-UMVBOHGHSA-N 0 1 378.385 -1.863 20 0 GAADMN CN1CCN(Cc2cn3c(n2)CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC3)CC1 ZINC001146620308 1075081914 /nfs/dbraw/zinc/08/19/14/1075081914.db2.gz ZRGORTRJESEYHU-JFIYKMOQSA-N 0 1 391.472 -1.615 20 0 GAADMN CN(C)C(=O)CN1CCC2(CCCN2C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001146622054 1075081876 /nfs/dbraw/zinc/08/18/76/1075081876.db2.gz WWJCUQOWQQWCKF-BFYDXBDKSA-N 0 1 381.473 -1.056 20 0 GAADMN O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146631763 1075082243 /nfs/dbraw/zinc/08/22/43/1075082243.db2.gz HUDYVONCIBLATG-BZUAXINKSA-N 0 1 397.453 -1.655 20 0 GAADMN COc1nn(C)cc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001147029502 1075082750 /nfs/dbraw/zinc/08/27/50/1075082750.db2.gz TWCCXEAJYJICNA-STQMWFEESA-N 0 1 389.416 -1.031 20 0 GAADMN C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CCN1C ZINC001147353285 1075083072 /nfs/dbraw/zinc/08/30/72/1075083072.db2.gz VNVGRAZHCFKGMQ-CWCFIDOXSA-N 0 1 378.477 -1.339 20 0 GAADMN C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CCN1C ZINC001147353286 1075083106 /nfs/dbraw/zinc/08/31/06/1075083106.db2.gz VNVGRAZHCFKGMQ-DPZJBDQQSA-N 0 1 378.477 -1.339 20 0 GAADMN C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CCN1C ZINC001147353287 1075082990 /nfs/dbraw/zinc/08/29/90/1075082990.db2.gz VNVGRAZHCFKGMQ-JPIRQXTESA-N 0 1 378.477 -1.339 20 0 GAADMN C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CCN1C ZINC001147353288 1075083020 /nfs/dbraw/zinc/08/30/20/1075083020.db2.gz VNVGRAZHCFKGMQ-RBRCJPGISA-N 0 1 378.477 -1.339 20 0 GAADMN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)c1cc2n(n1)CCNC2=O ZINC001147544468 1075083665 /nfs/dbraw/zinc/08/36/65/1075083665.db2.gz UQBCKMMTCOCDHJ-UHFFFAOYSA-N 0 1 394.413 -1.138 20 0 GAADMN O=C(c1cc2n(n1)CCNC2=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001147544484 1075083714 /nfs/dbraw/zinc/08/37/14/1075083714.db2.gz VBIMPFCTXANODL-UHFFFAOYSA-N 0 1 385.384 -1.022 20 0 GAADMN Cc1nn[nH]c1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001147569636 1075083605 /nfs/dbraw/zinc/08/36/05/1075083605.db2.gz GOFWCTNBMIPGEZ-JHJVBQTASA-N 0 1 397.457 -1.153 20 0 GAADMN Cc1nn[nH]c1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001147569641 1075083748 /nfs/dbraw/zinc/08/37/48/1075083748.db2.gz GOFWCTNBMIPGEZ-YNEHKIRRSA-N 0 1 397.457 -1.153 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001147571119 1075083738 /nfs/dbraw/zinc/08/37/38/1075083738.db2.gz YGEPKBASRPVZLF-RYUDHWBXSA-N 0 1 393.448 -1.150 20 0 GAADMN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)c1nccnc1C(N)=O ZINC001147752208 1075084520 /nfs/dbraw/zinc/08/45/20/1075084520.db2.gz LNIQGJXANYPSAS-UHFFFAOYSA-N 0 1 380.386 -1.189 20 0 GAADMN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1CN([C@@H]2CCOC2)C1 ZINC001148186896 1075085314 /nfs/dbraw/zinc/08/53/14/1075085314.db2.gz JSOCHYFFPFSUGN-AGIUHOORSA-N 0 1 380.401 -1.599 20 0 GAADMN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1CN([C@H]2CCOC2)C1 ZINC001148186897 1075085296 /nfs/dbraw/zinc/08/52/96/1075085296.db2.gz JSOCHYFFPFSUGN-AVGNSLFASA-N 0 1 380.401 -1.599 20 0 GAADMN CC(=O)N[C@@H](CC(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC001149108509 1073897484 /nfs/dbraw/zinc/89/74/84/1073897484.db2.gz KUNJECWTIJOUER-OLZOCXBDSA-N 0 1 376.479 -1.666 20 0 GAADMN CC(=O)N[C@@H](CC(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1)C(N)=O ZINC001149108510 1073897290 /nfs/dbraw/zinc/89/72/90/1073897290.db2.gz KUNJECWTIJOUER-STQMWFEESA-N 0 1 376.479 -1.666 20 0 GAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1=CN2NC=CC=C2N1 ZINC001149448367 1073898172 /nfs/dbraw/zinc/89/81/72/1073898172.db2.gz LBLMCTQJOFNLOX-JSGCOSHPSA-N 0 1 398.427 -1.467 20 0 GAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1=CNN2C=CNC=C12 ZINC001149465639 1073898293 /nfs/dbraw/zinc/89/82/93/1073898293.db2.gz VHMBLWVHLCHRDB-KBPBESRZSA-N 0 1 398.427 -1.467 20 0 GAADMN CS(=O)(=O)N1CCN(CC(=O)N[C@H](c2nn[nH]n2)c2ccccc2)CC1 ZINC001149492013 1073898011 /nfs/dbraw/zinc/89/80/11/1073898011.db2.gz BNFSMCWAILVEIA-AWEZNQCLSA-N 0 1 379.446 -1.018 20 0 GAADMN CS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)CC1 ZINC001149492014 1073898052 /nfs/dbraw/zinc/89/80/52/1073898052.db2.gz BNFSMCWAILVEIA-CQSZACIVSA-N 0 1 379.446 -1.018 20 0 GAADMN Cc1nc(C(=O)N2CCN(CC(N)=O)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001149899241 1073899272 /nfs/dbraw/zinc/89/92/72/1073899272.db2.gz AJAQUZKAKVUCRQ-UHFFFAOYSA-N 0 1 387.326 -1.044 20 0 GAADMN CC(C)(C)OC(=O)N1Cc2n[nH]c(C(=O)N3CN[C@H](N)[C@H]4NCN[C@H]43)c2C1 ZINC001149935464 1073899856 /nfs/dbraw/zinc/89/98/56/1073899856.db2.gz ZUSIVZKBVZWNND-AGIUHOORSA-N 0 1 378.437 -1.207 20 0 GAADMN CC(C)(C)OC(=O)N1Cc2n[nH]c(C(=O)N3CN[C@H](N)[C@@H]4NCN[C@H]43)c2C1 ZINC001149935465 1073900321 /nfs/dbraw/zinc/90/03/21/1073900321.db2.gz ZUSIVZKBVZWNND-AVGNSLFASA-N 0 1 378.437 -1.207 20 0 GAADMN CC(C)(C)OC(=O)N1Cc2n[nH]c(C(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)c2C1 ZINC001149935466 1073900354 /nfs/dbraw/zinc/90/03/54/1073900354.db2.gz ZUSIVZKBVZWNND-FRRDWIJNSA-N 0 1 378.437 -1.207 20 0 GAADMN CC(C)(C)OC(=O)N1Cc2n[nH]c(C(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)c2C1 ZINC001149935467 1073900294 /nfs/dbraw/zinc/90/02/94/1073900294.db2.gz ZUSIVZKBVZWNND-RWMBFGLXSA-N 0 1 378.437 -1.207 20 0 GAADMN Cc1[nH]nc(C(=O)N2CC(NS(N)(=O)=O)C2)c1I ZINC001150087622 1073900704 /nfs/dbraw/zinc/90/07/04/1073900704.db2.gz PEEJRJPZOKHPAN-UHFFFAOYSA-N 0 1 385.187 -1.060 20 0 GAADMN CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCc4nn[nH]n4)cn32)C1 ZINC001150455829 1073903360 /nfs/dbraw/zinc/90/33/60/1073903360.db2.gz DDHSFPAFYPPVJT-SECBINFHSA-N 0 1 391.417 -1.079 20 0 GAADMN CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCc4nn[nH]n4)cn32)C1 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952537806 /nfs/dbraw/zinc/53/78/06/952537806.db2.gz FZLRSJJQEDUIHV-YMTOWFKASA-N 0 1 377.365 -2.237 20 0 GAADMN CN(C)C(=O)C[N@H+]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001571124415 952538618 /nfs/dbraw/zinc/53/86/18/952538618.db2.gz IEUKCEYWDWULOO-UHFFFAOYSA-N 0 1 377.409 -2.146 20 0 GAADMN CN(C)C(=O)C[N@@H+]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001571124415 952538614 /nfs/dbraw/zinc/53/86/14/952538614.db2.gz IEUKCEYWDWULOO-UHFFFAOYSA-N 0 1 377.409 -2.146 20 0 GAADMN CO[C@@]1(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCS(=O)(=O)C1 ZINC001571124996 952546642 /nfs/dbraw/zinc/54/66/42/952546642.db2.gz XSQCLJFKQRSFMX-LLVKDONJSA-N 0 1 377.404 -1.058 20 0 GAADMN CO[C@]1(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCS(=O)(=O)C1 ZINC001571124997 952546971 /nfs/dbraw/zinc/54/69/71/952546971.db2.gz XSQCLJFKQRSFMX-NSHDSACASA-N 0 1 377.404 -1.058 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001571129661 952576779 /nfs/dbraw/zinc/57/67/79/952576779.db2.gz HFRNTAYXFSGXNV-JTQLQIEISA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001571129661 952576776 /nfs/dbraw/zinc/57/67/76/952576776.db2.gz HFRNTAYXFSGXNV-JTQLQIEISA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001571129661 952576771 /nfs/dbraw/zinc/57/67/71/952576771.db2.gz HFRNTAYXFSGXNV-JTQLQIEISA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001571129662 952576251 /nfs/dbraw/zinc/57/62/51/952576251.db2.gz HFRNTAYXFSGXNV-SNVBAGLBSA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001571129662 952576248 /nfs/dbraw/zinc/57/62/48/952576248.db2.gz HFRNTAYXFSGXNV-SNVBAGLBSA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001571129662 952576243 /nfs/dbraw/zinc/57/62/43/952576243.db2.gz HFRNTAYXFSGXNV-SNVBAGLBSA-N 0 1 378.393 -1.908 20 0 GAADMN C[NH+]1CCC(CCO)(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001571129944 952577811 /nfs/dbraw/zinc/57/78/11/952577811.db2.gz LRYSYSOYTXSVEA-UHFFFAOYSA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C1(F)CCOCC1 ZINC001571130023 952578299 /nfs/dbraw/zinc/57/82/99/952578299.db2.gz NBBYGITVAUFIDW-NXEZZACHSA-N 0 1 378.368 -1.159 20 0 GAADMN C[NH+]1CCC(OCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001571130491 952580652 /nfs/dbraw/zinc/58/06/52/952580652.db2.gz RRYOXXNDVLPNKA-UHFFFAOYSA-N 0 1 378.393 -1.644 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001571135927 952609940 /nfs/dbraw/zinc/60/99/40/952609940.db2.gz IFZRVCNIWOBJBI-SBMIAAHKSA-N 0 1 378.418 -1.566 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001571135928 952609971 /nfs/dbraw/zinc/60/99/71/952609971.db2.gz IFZRVCNIWOBJBI-VDDIYKPWSA-N 0 1 378.418 -1.566 20 0 GAADMN O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001571135954 952611351 /nfs/dbraw/zinc/61/13/51/952611351.db2.gz JCABUBOWZGTZFI-CZMCAQCFSA-N 0 1 378.418 -1.570 20 0 GAADMN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571135999 952611326 /nfs/dbraw/zinc/61/13/26/952611326.db2.gz KDNKCRJCQDIIOD-PSASIEDQSA-N 0 1 378.418 -1.618 20 0 GAADMN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571136000 952611060 /nfs/dbraw/zinc/61/10/60/952611060.db2.gz KDNKCRJCQDIIOD-SCZZXKLOSA-N 0 1 378.418 -1.618 20 0 GAADMN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571136001 952611084 /nfs/dbraw/zinc/61/10/84/952611084.db2.gz KDNKCRJCQDIIOD-WCBMZHEXSA-N 0 1 378.418 -1.618 20 0 GAADMN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571136002 952610709 /nfs/dbraw/zinc/61/07/09/952610709.db2.gz KDNKCRJCQDIIOD-WPRPVWTQSA-N 0 1 378.418 -1.618 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571136125 952613243 /nfs/dbraw/zinc/61/32/43/952613243.db2.gz MTJIWVCRAGNLIN-MGCOHNPYSA-N 0 1 378.418 -1.428 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571136205 952612870 /nfs/dbraw/zinc/61/28/70/952612870.db2.gz ODGCRBGODCSSEP-JTQLQIEISA-N 0 1 378.418 -1.262 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571136207 952613073 /nfs/dbraw/zinc/61/30/73/952613073.db2.gz ODGCRBGODCSSEP-SNVBAGLBSA-N 0 1 378.418 -1.262 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571136817 952616853 /nfs/dbraw/zinc/61/68/53/952616853.db2.gz XALVWTFYTATDDS-BXKDBHETSA-N 0 1 378.418 -1.612 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571136818 952617010 /nfs/dbraw/zinc/61/70/10/952617010.db2.gz XALVWTFYTATDDS-CABZTGNLSA-N 0 1 378.418 -1.612 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571136819 952616859 /nfs/dbraw/zinc/61/68/59/952616859.db2.gz XALVWTFYTATDDS-JOYOIKCWSA-N 0 1 378.418 -1.612 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571136820 952617264 /nfs/dbraw/zinc/61/72/64/952617264.db2.gz XALVWTFYTATDDS-SKDRFNHKSA-N 0 1 378.418 -1.612 20 0 GAADMN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](O)C1 ZINC001571138991 952618533 /nfs/dbraw/zinc/61/85/33/952618533.db2.gz APOGROZKAJALBS-BDAKNGLRSA-N 0 1 379.381 -1.445 20 0 GAADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001571139967 952622777 /nfs/dbraw/zinc/62/27/77/952622777.db2.gz LVZGQEZSQPZUST-CIUDSAMLSA-N 0 1 379.406 -2.171 20 0 GAADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001571139970 952622764 /nfs/dbraw/zinc/62/27/64/952622764.db2.gz LVZGQEZSQPZUST-IWSPIJDZSA-N 0 1 379.406 -2.171 20 0 GAADMN CNC(=O)NC[C@@H]1COCCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001571140053 952623512 /nfs/dbraw/zinc/62/35/12/952623512.db2.gz OAFCPNWTNJUOCD-SECBINFHSA-N 0 1 379.385 -2.202 20 0 GAADMN CNC(=O)NC[C@H]1COCCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001571140054 952623805 /nfs/dbraw/zinc/62/38/05/952623805.db2.gz OAFCPNWTNJUOCD-VIFPVBQESA-N 0 1 379.385 -2.202 20 0 GAADMN CN(C)S(=O)(=O)CCS(=O)(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001571146749 952652009 /nfs/dbraw/zinc/65/20/09/952652009.db2.gz BBUUUYRPFVQIIZ-UHFFFAOYSA-N 0 1 379.428 -2.731 20 0 GAADMN NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571153311 952685320 /nfs/dbraw/zinc/68/53/20/952685320.db2.gz NWDSUKJVQKCYHZ-JTQLQIEISA-N 0 1 380.372 -1.101 20 0 GAADMN COCCN(CC[NH+](C)C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571155569 952698828 /nfs/dbraw/zinc/69/88/28/952698828.db2.gz WXBJPTSQLXMYEK-UHFFFAOYSA-N 0 1 380.409 -1.444 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571165870 952756452 /nfs/dbraw/zinc/75/64/52/952756452.db2.gz IEECEUNMUNLFOR-NXEZZACHSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571165872 952756515 /nfs/dbraw/zinc/75/65/15/952756515.db2.gz IEECEUNMUNLFOR-UWVGGRQHSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571165874 952755683 /nfs/dbraw/zinc/75/56/83/952755683.db2.gz IEECEUNMUNLFOR-VHSXEESVSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571165876 952756149 /nfs/dbraw/zinc/75/61/49/952756149.db2.gz IEECEUNMUNLFOR-ZJUUUORDSA-N 0 1 380.434 -1.228 20 0 GAADMN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001571171090 952791554 /nfs/dbraw/zinc/79/15/54/952791554.db2.gz OBKTUVRCZOFYOR-MRVPVSSYSA-N 0 1 381.374 -1.734 20 0 GAADMN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001571171091 952791413 /nfs/dbraw/zinc/79/14/13/952791413.db2.gz OBKTUVRCZOFYOR-QMMMGPOBSA-N 0 1 381.374 -1.734 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCc2nncn2C1 ZINC001571178701 952846142 /nfs/dbraw/zinc/84/61/42/952846142.db2.gz REJSWHSSZZGBFO-GARJFASQSA-N 0 1 381.404 -1.008 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCc2nncn2C1 ZINC001571178702 952846710 /nfs/dbraw/zinc/84/67/10/952846710.db2.gz REJSWHSSZZGBFO-MXWKQRLJSA-N 0 1 381.404 -1.008 20 0 GAADMN CS(=O)(=O)N1CCC(NC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)CC1 ZINC001571182935 952870796 /nfs/dbraw/zinc/87/07/96/952870796.db2.gz KCLCRCKKAFGVDN-UHFFFAOYSA-N 0 1 381.418 -1.431 20 0 GAADMN CS(=O)(=O)CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571183376 952877717 /nfs/dbraw/zinc/87/77/17/952877717.db2.gz YZGGVEYSZGJCGP-JTQLQIEISA-N 0 1 381.418 -1.633 20 0 GAADMN CS(=O)(=O)CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571183377 952877270 /nfs/dbraw/zinc/87/72/70/952877270.db2.gz YZGGVEYSZGJCGP-SNVBAGLBSA-N 0 1 381.418 -1.633 20 0 GAADMN Cn1nc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001571193727 952951914 /nfs/dbraw/zinc/95/19/14/952951914.db2.gz ALABWMWDJOXNLB-UHFFFAOYSA-N 0 1 382.388 -1.207 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571193861 952954532 /nfs/dbraw/zinc/95/45/32/952954532.db2.gz FOXCWOKQPGZKKH-JTQLQIEISA-N 0 1 382.392 -1.182 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571193862 952954968 /nfs/dbraw/zinc/95/49/68/952954968.db2.gz FOXCWOKQPGZKKH-SNVBAGLBSA-N 0 1 382.392 -1.182 20 0 GAADMN O=C(Cn1ncnn1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571193865 952955133 /nfs/dbraw/zinc/95/51/33/952955133.db2.gz FQOPYKQIXFVJLF-MNOVXSKESA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(CCn1cnccc1=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571193950 952955620 /nfs/dbraw/zinc/95/56/20/952955620.db2.gz HEOUOUFINAFLMW-NSHDSACASA-N 0 1 382.388 -1.262 20 0 GAADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194233 952959145 /nfs/dbraw/zinc/95/91/45/952959145.db2.gz KBGPMMDDUNKYIF-NXEZZACHSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194235 952959554 /nfs/dbraw/zinc/95/95/54/952959554.db2.gz KBGPMMDDUNKYIF-UWVGGRQHSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194237 952959520 /nfs/dbraw/zinc/95/95/20/952959520.db2.gz KBGPMMDDUNKYIF-VHSXEESVSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194238 952959998 /nfs/dbraw/zinc/95/99/98/952959998.db2.gz KBGPMMDDUNKYIF-ZJUUUORDSA-N 0 1 382.388 -1.113 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571194733 952967037 /nfs/dbraw/zinc/96/70/37/952967037.db2.gz RERDGJZGPWIZON-GHMZBOCLSA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571194734 952966839 /nfs/dbraw/zinc/96/68/39/952966839.db2.gz RERDGJZGPWIZON-MNOVXSKESA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571194735 952966594 /nfs/dbraw/zinc/96/65/94/952966594.db2.gz RERDGJZGPWIZON-QWRGUYRKSA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571194736 952967007 /nfs/dbraw/zinc/96/70/07/952967007.db2.gz RERDGJZGPWIZON-WDEREUQCSA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1n[nH]c2c1CCC2 ZINC001571194739 952968860 /nfs/dbraw/zinc/96/88/60/952968860.db2.gz RHEHUAQHVAFWAO-GHMZBOCLSA-N 0 1 382.388 -1.152 20 0 GAADMN O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571195106 952974209 /nfs/dbraw/zinc/97/42/09/952974209.db2.gz YRXOMMQJAJXWER-YUMQZZPRSA-N 0 1 382.344 -1.039 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001571202511 953026358 /nfs/dbraw/zinc/02/63/58/953026358.db2.gz ZQWRLNAOZDBUBS-NOZJJQNGSA-N 0 1 382.406 -1.689 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571202512 953026407 /nfs/dbraw/zinc/02/64/07/953026407.db2.gz ZQWRLNAOZDBUBS-RNCFNFMXSA-N 0 1 382.406 -1.689 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001571202513 953026231 /nfs/dbraw/zinc/02/62/31/953026231.db2.gz ZQWRLNAOZDBUBS-TVQRCGJNSA-N 0 1 382.406 -1.689 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571202514 953026731 /nfs/dbraw/zinc/02/67/31/953026731.db2.gz ZQWRLNAOZDBUBS-ZANVPECISA-N 0 1 382.406 -1.689 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CC(=O)NC(=O)N1 ZINC001571218278 953114018 /nfs/dbraw/zinc/11/40/18/953114018.db2.gz VAYVBVGGOASNEB-MPXOCVNLSA-N 0 1 383.372 -1.589 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)ccc1=O ZINC001571234927 953206684 /nfs/dbraw/zinc/20/66/84/953206684.db2.gz NEXQKNWLSCJZEU-NXEZZACHSA-N 0 1 384.360 -2.270 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001571234958 953207111 /nfs/dbraw/zinc/20/71/11/953207111.db2.gz NWOQYWUXCVLHDG-NXEZZACHSA-N 0 1 384.360 -1.626 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cn[nH]c(=O)c1 ZINC001571234975 953207555 /nfs/dbraw/zinc/20/75/55/953207555.db2.gz OKYUHGFDESLJAY-NXEZZACHSA-N 0 1 384.360 -1.214 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571234984 953207644 /nfs/dbraw/zinc/20/76/44/953207644.db2.gz OQTSJBQUCSTZNJ-SECBINFHSA-N 0 1 384.360 -1.686 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571234985 953207740 /nfs/dbraw/zinc/20/77/40/953207740.db2.gz OQTSJBQUCSTZNJ-VIFPVBQESA-N 0 1 384.360 -1.686 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1ccc(=O)[nH]n1 ZINC001571235029 953208038 /nfs/dbraw/zinc/20/80/38/953208038.db2.gz QDSOQXVDBYUQTR-NXEZZACHSA-N 0 1 384.360 -1.214 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cnc[nH]c1=O ZINC001571235163 953209093 /nfs/dbraw/zinc/20/90/93/953209093.db2.gz VTAFGQYQJWUAHJ-NXEZZACHSA-N 0 1 384.360 -1.214 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC001571235168 953209299 /nfs/dbraw/zinc/20/92/99/953209299.db2.gz VUVXBUOJGNJUBC-ZJUUUORDSA-N 0 1 384.360 -1.775 20 0 GAADMN O=C(NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)c1cnc[nH]c1=O ZINC001571235236 953210155 /nfs/dbraw/zinc/21/01/55/953210155.db2.gz YFNXGFZJJBNATE-SECBINFHSA-N 0 1 384.360 -1.213 20 0 GAADMN O=C(NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)c1cnc[nH]c1=O ZINC001571235237 953210647 /nfs/dbraw/zinc/21/06/47/953210647.db2.gz YFNXGFZJJBNATE-VIFPVBQESA-N 0 1 384.360 -1.213 20 0 GAADMN CCn1cc(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 ZINC001571237200 953220457 /nfs/dbraw/zinc/22/04/57/953220457.db2.gz GEQBRFKPADCPIM-VXGBXAGGSA-N 0 1 384.404 -1.219 20 0 GAADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1cnn(C)c1 ZINC001571238256 953227546 /nfs/dbraw/zinc/22/75/46/953227546.db2.gz YEAIGUWWYJLBSG-MVWJERBFSA-N 0 1 384.404 -1.140 20 0 GAADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1cnn(C)c1 ZINC001571238257 953227384 /nfs/dbraw/zinc/22/73/84/953227384.db2.gz YEAIGUWWYJLBSG-YUSALJHKSA-N 0 1 384.404 -1.140 20 0 GAADMN Cc1cc(N[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571238361 953227973 /nfs/dbraw/zinc/22/79/73/953227973.db2.gz ANMXSTZJMLJWCU-NSHDSACASA-N 0 1 384.404 -1.400 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001571238487 953229741 /nfs/dbraw/zinc/22/97/41/953229741.db2.gz DZADNERGXWOYGV-GHMZBOCLSA-N 0 1 384.408 -1.053 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001571238488 953229938 /nfs/dbraw/zinc/22/99/38/953229938.db2.gz DZADNERGXWOYGV-MNOVXSKESA-N 0 1 384.408 -1.053 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001571238489 953229847 /nfs/dbraw/zinc/22/98/47/953229847.db2.gz DZADNERGXWOYGV-QWRGUYRKSA-N 0 1 384.408 -1.053 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001571238490 953229603 /nfs/dbraw/zinc/22/96/03/953229603.db2.gz DZADNERGXWOYGV-WDEREUQCSA-N 0 1 384.408 -1.053 20 0 GAADMN Cc1nc[nH]c1CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571238497 953230045 /nfs/dbraw/zinc/23/00/45/953230045.db2.gz FKBOHNUPIHDVCF-LLVKDONJSA-N 0 1 384.404 -1.008 20 0 GAADMN Cc1nc[nH]c1CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571238498 953230207 /nfs/dbraw/zinc/23/02/07/953230207.db2.gz FKBOHNUPIHDVCF-NSHDSACASA-N 0 1 384.404 -1.008 20 0 GAADMN CN1C[C@@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)NC1=O ZINC001571238571 953231101 /nfs/dbraw/zinc/23/11/01/953231101.db2.gz HHIOZWVEGHDRCI-AXFHLTTASA-N 0 1 384.404 -1.425 20 0 GAADMN CN1C[C@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)NC1=O ZINC001571238572 953230987 /nfs/dbraw/zinc/23/09/87/953230987.db2.gz HHIOZWVEGHDRCI-OUAUKWLOSA-N 0 1 384.404 -1.425 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001571238664 953231336 /nfs/dbraw/zinc/23/13/36/953231336.db2.gz JQWMFOIXWFSLCF-LLVKDONJSA-N 0 1 384.404 -1.461 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001571238665 953231802 /nfs/dbraw/zinc/23/18/02/953231802.db2.gz JQWMFOIXWFSLCF-NSHDSACASA-N 0 1 384.404 -1.461 20 0 GAADMN O=C(Cn1cnnn1)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571238683 953231580 /nfs/dbraw/zinc/23/15/80/953231580.db2.gz KBYSUALVPDGVFR-UHFFFAOYSA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(Cn1cnnn1)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571238751 953232185 /nfs/dbraw/zinc/23/21/85/953232185.db2.gz MDSZMRUYSZGLHA-LLVKDONJSA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(Cn1cnnn1)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571238752 953232095 /nfs/dbraw/zinc/23/20/95/953232095.db2.gz MDSZMRUYSZGLHA-NSHDSACASA-N 0 1 384.408 -1.194 20 0 GAADMN Cn1nccc1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571238910 953234267 /nfs/dbraw/zinc/23/42/67/953234267.db2.gz OIYBULNGMXEKOO-UHFFFAOYSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001571239096 953235548 /nfs/dbraw/zinc/23/55/48/953235548.db2.gz QGUDBVHQBFCPBE-JTQLQIEISA-N 0 1 384.404 -1.050 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001571239100 953235965 /nfs/dbraw/zinc/23/59/65/953235965.db2.gz QGUDBVHQBFCPBE-SNVBAGLBSA-N 0 1 384.404 -1.050 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571239360 953238789 /nfs/dbraw/zinc/23/87/89/953238789.db2.gz JFRPDWIEBAZXJE-XYPYZODXSA-N 0 1 384.408 -1.148 20 0 GAADMN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571239488 953239747 /nfs/dbraw/zinc/23/97/47/953239747.db2.gz VJWBTFFXYOIOLT-GHMZBOCLSA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571239489 953239421 /nfs/dbraw/zinc/23/94/21/953239421.db2.gz VJWBTFFXYOIOLT-MNOVXSKESA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571239490 953239527 /nfs/dbraw/zinc/23/95/27/953239527.db2.gz VJWBTFFXYOIOLT-QWRGUYRKSA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571239491 953239373 /nfs/dbraw/zinc/23/93/73/953239373.db2.gz VJWBTFFXYOIOLT-WDEREUQCSA-N 0 1 384.408 -1.338 20 0 GAADMN Cn1cc(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001571239534 953240895 /nfs/dbraw/zinc/24/08/95/953240895.db2.gz WLPNPLZJGQGIQT-UHFFFAOYSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cnn(CCC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001571239845 953243432 /nfs/dbraw/zinc/24/34/32/953243432.db2.gz ZMXBMFVNLFQMKN-LLVKDONJSA-N 0 1 384.404 -1.318 20 0 GAADMN CNS(=O)(=O)N1CCC(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001571241686 953249097 /nfs/dbraw/zinc/24/90/97/953249097.db2.gz IICHCKPTFSHSGJ-UHFFFAOYSA-N 0 1 384.426 -2.249 20 0 GAADMN O=C(CN1CCNC(=O)C1)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571251263 953316898 /nfs/dbraw/zinc/31/68/98/953316898.db2.gz TTWLQPZEUJJGOR-HNNXBMFYSA-N 0 1 384.444 -1.011 20 0 GAADMN Cn1cnn(CCC(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1=O ZINC001571253875 953334569 /nfs/dbraw/zinc/33/45/69/953334569.db2.gz AJNQETZAIROIJF-UHFFFAOYSA-N 0 1 385.392 -1.709 20 0 GAADMN O=C(c1nc[nH]n1)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571254026 953336226 /nfs/dbraw/zinc/33/62/26/953336226.db2.gz CLFDXSRSMXNHTK-JTQLQIEISA-N 0 1 385.392 -1.122 20 0 GAADMN O=C(c1nc[nH]n1)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571254028 953335583 /nfs/dbraw/zinc/33/55/83/953335583.db2.gz CLFDXSRSMXNHTK-SNVBAGLBSA-N 0 1 385.392 -1.122 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cn1 ZINC001571254330 953338274 /nfs/dbraw/zinc/33/82/74/953338274.db2.gz FZRVODXTBNHSQG-LLVKDONJSA-N 0 1 385.392 -1.387 20 0 GAADMN Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cn1 ZINC001571254332 953338339 /nfs/dbraw/zinc/33/83/39/953338339.db2.gz FZRVODXTBNHSQG-NSHDSACASA-N 0 1 385.392 -1.387 20 0 GAADMN CCn1nncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001571254545 953339881 /nfs/dbraw/zinc/33/98/81/953339881.db2.gz APXIZPVTMUIOMR-GXSJLCMTSA-N 0 1 385.392 -1.362 20 0 GAADMN CCn1nncc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001571254550 953340384 /nfs/dbraw/zinc/34/03/84/953340384.db2.gz APXIZPVTMUIOMR-KOLCDFICSA-N 0 1 385.392 -1.362 20 0 GAADMN CCn1nncc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001571254554 953339625 /nfs/dbraw/zinc/33/96/25/953339625.db2.gz APXIZPVTMUIOMR-MWLCHTKSSA-N 0 1 385.392 -1.362 20 0 GAADMN CCn1nncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001571254559 953340025 /nfs/dbraw/zinc/34/00/25/953340025.db2.gz APXIZPVTMUIOMR-ONGXEEELSA-N 0 1 385.392 -1.362 20 0 GAADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571254649 953340756 /nfs/dbraw/zinc/34/07/56/953340756.db2.gz BHEKBLXYRMIKSE-SBMIAAHKSA-N 0 1 385.388 -1.351 20 0 GAADMN O=C(Cn1cncn1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571254701 953341100 /nfs/dbraw/zinc/34/11/00/953341100.db2.gz IHDZPMAXPGAHQK-HNNXBMFYSA-N 0 1 385.392 -1.864 20 0 GAADMN O=C(Cn1cncn1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571254704 953341620 /nfs/dbraw/zinc/34/16/20/953341620.db2.gz IHDZPMAXPGAHQK-OAHLLOKOSA-N 0 1 385.392 -1.864 20 0 GAADMN Cn1cc(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001571254862 953342819 /nfs/dbraw/zinc/34/28/19/953342819.db2.gz LTOZDDXYSCGEPL-JTQLQIEISA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1cc(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001571254868 953343508 /nfs/dbraw/zinc/34/35/08/953343508.db2.gz LTOZDDXYSCGEPL-SNVBAGLBSA-N 0 1 385.392 -1.450 20 0 GAADMN O=C(NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001571255046 953345451 /nfs/dbraw/zinc/34/54/51/953345451.db2.gz GEZPIIKYBMRDAE-KOLCDFICSA-N 0 1 385.388 -1.198 20 0 GAADMN O=C(NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001571255047 953344859 /nfs/dbraw/zinc/34/48/59/953344859.db2.gz GEZPIIKYBMRDAE-ONGXEEELSA-N 0 1 385.388 -1.198 20 0 GAADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)c2nnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571255244 953346757 /nfs/dbraw/zinc/34/67/57/953346757.db2.gz NHJAAAMXUYBSOC-JTQLQIEISA-N 0 1 385.392 -1.271 20 0 GAADMN Cc1cc(N2CCOC[C@H]2CNC(=O)c2nnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571255245 953347266 /nfs/dbraw/zinc/34/72/66/953347266.db2.gz NHJAAAMXUYBSOC-SNVBAGLBSA-N 0 1 385.392 -1.271 20 0 GAADMN Cc1c(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)nnn1C ZINC001571255435 953348912 /nfs/dbraw/zinc/34/89/12/953348912.db2.gz PJHIBHCYSSODFC-JTQLQIEISA-N 0 1 385.392 -1.271 20 0 GAADMN Cc1c(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)nnn1C ZINC001571255436 953349162 /nfs/dbraw/zinc/34/91/62/953349162.db2.gz PJHIBHCYSSODFC-SNVBAGLBSA-N 0 1 385.392 -1.271 20 0 GAADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001571255450 953349603 /nfs/dbraw/zinc/34/96/03/953349603.db2.gz QCUKLZLYXHFKSS-ZYHUDNBSSA-N 0 1 385.392 -1.273 20 0 GAADMN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571255962 953359067 /nfs/dbraw/zinc/35/90/67/953359067.db2.gz WXHJRDSMQZPUPR-NXEZZACHSA-N 0 1 385.392 -2.067 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001571255979 953360494 /nfs/dbraw/zinc/36/04/94/953360494.db2.gz NOATWQFWNCBXEH-GXSJLCMTSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001571255980 953359856 /nfs/dbraw/zinc/35/98/56/953359856.db2.gz NOATWQFWNCBXEH-KOLCDFICSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001571255981 953359719 /nfs/dbraw/zinc/35/97/19/953359719.db2.gz NOATWQFWNCBXEH-MWLCHTKSSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001571255982 953360333 /nfs/dbraw/zinc/36/03/33/953360333.db2.gz NOATWQFWNCBXEH-ONGXEEELSA-N 0 1 385.392 -1.451 20 0 GAADMN Cc1n[nH]nc1C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571256106 953364520 /nfs/dbraw/zinc/36/45/20/953364520.db2.gz YHVUKQBVJXMLRY-JTQLQIEISA-N 0 1 385.392 -1.152 20 0 GAADMN Cc1n[nH]nc1C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571256107 953362695 /nfs/dbraw/zinc/36/26/95/953362695.db2.gz YHVUKQBVJXMLRY-SNVBAGLBSA-N 0 1 385.392 -1.152 20 0 GAADMN O=C(CCc1cnc[nH]1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571256210 953365203 /nfs/dbraw/zinc/36/52/03/953365203.db2.gz QEYRPCLPLPNGAA-CHWSQXEVSA-N 0 1 385.388 -1.148 20 0 GAADMN CN1CCN(CC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1=O ZINC001571259071 945373998 /nfs/dbraw/zinc/37/39/98/945373998.db2.gz CJKJFSPXENDJQT-GFCCVEGCSA-N 0 1 385.432 -1.530 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571259360 945386156 /nfs/dbraw/zinc/38/61/56/945386156.db2.gz FVYSNDFBAGGYRB-GFCCVEGCSA-N 0 1 385.432 -1.303 20 0 GAADMN O=C(CN1CCNC(=O)C1)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571260349 945411582 /nfs/dbraw/zinc/41/15/82/945411582.db2.gz QCSYYHKHIBBEDP-GFCCVEGCSA-N 0 1 385.432 -1.624 20 0 GAADMN O=C(CN1CCNC(=O)C1)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571260350 945412333 /nfs/dbraw/zinc/41/23/33/945412333.db2.gz QCSYYHKHIBBEDP-LBPRGKRZSA-N 0 1 385.432 -1.624 20 0 GAADMN O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001571260552 945418251 /nfs/dbraw/zinc/41/82/51/945418251.db2.gz WLXCZNLQACXNHF-NEPJUHHUSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001571260552 945418245 /nfs/dbraw/zinc/41/82/45/945418245.db2.gz WLXCZNLQACXNHF-NEPJUHHUSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001571260553 945417890 /nfs/dbraw/zinc/41/78/90/945417890.db2.gz WLXCZNLQACXNHF-NWDGAFQWSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001571260553 945417886 /nfs/dbraw/zinc/41/78/86/945417886.db2.gz WLXCZNLQACXNHF-NWDGAFQWSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001571260554 945418437 /nfs/dbraw/zinc/41/84/37/945418437.db2.gz WLXCZNLQACXNHF-RYUDHWBXSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001571260554 945418434 /nfs/dbraw/zinc/41/84/34/945418434.db2.gz WLXCZNLQACXNHF-RYUDHWBXSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001571260555 945418015 /nfs/dbraw/zinc/41/80/15/945418015.db2.gz WLXCZNLQACXNHF-VXGBXAGGSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001571260555 945418010 /nfs/dbraw/zinc/41/80/10/945418010.db2.gz WLXCZNLQACXNHF-VXGBXAGGSA-N 0 1 385.432 -1.192 20 0 GAADMN COc1nn(C)cc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001571266857 945554661 /nfs/dbraw/zinc/55/46/61/945554661.db2.gz ALFYFVZPOHGKCE-NXEZZACHSA-N 0 1 386.376 -1.622 20 0 GAADMN C[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001571267183 945563397 /nfs/dbraw/zinc/56/33/97/945563397.db2.gz LZDRKCHMSYBTHV-PELKAZGASA-N 0 1 386.376 -1.028 20 0 GAADMN C[C@@H](NC(=O)c1cnn[nH]1)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001571267184 945562998 /nfs/dbraw/zinc/56/29/98/945562998.db2.gz LZDRKCHMSYBTHV-PRHODGIISA-N 0 1 386.376 -1.028 20 0 GAADMN C[C@H](NC(=O)c1cnn[nH]1)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001571267185 945563307 /nfs/dbraw/zinc/56/33/07/945563307.db2.gz LZDRKCHMSYBTHV-QPUJVOFHSA-N 0 1 386.376 -1.028 20 0 GAADMN C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001571267186 945563573 /nfs/dbraw/zinc/56/35/73/945563573.db2.gz LZDRKCHMSYBTHV-UFBFGSQYSA-N 0 1 386.376 -1.028 20 0 GAADMN Cn1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)[nH]c1=O ZINC001571267224 945564874 /nfs/dbraw/zinc/56/48/74/945564874.db2.gz NDRNGQQPYVDOKR-SECBINFHSA-N 0 1 386.376 -1.269 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)[nH]c1=O ZINC001571267225 945564986 /nfs/dbraw/zinc/56/49/86/945564986.db2.gz NDRNGQQPYVDOKR-VIFPVBQESA-N 0 1 386.376 -1.269 20 0 GAADMN Cn1cc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)[nH]c1=O ZINC001571267413 945569746 /nfs/dbraw/zinc/56/97/46/945569746.db2.gz UTLCFIDJGIRAMI-SECBINFHSA-N 0 1 386.376 -1.269 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)[nH]c1=O ZINC001571267414 945569051 /nfs/dbraw/zinc/56/90/51/945569051.db2.gz UTLCFIDJGIRAMI-VIFPVBQESA-N 0 1 386.376 -1.269 20 0 GAADMN C[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571267434 945569802 /nfs/dbraw/zinc/56/98/02/945569802.db2.gz VFXYIZVLKHEZJS-PELKAZGASA-N 0 1 386.376 -1.028 20 0 GAADMN C[C@@H](NC(=O)c1cnn[nH]1)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571267435 945568992 /nfs/dbraw/zinc/56/89/92/945568992.db2.gz VFXYIZVLKHEZJS-PRHODGIISA-N 0 1 386.376 -1.028 20 0 GAADMN C[C@H](NC(=O)c1cnn[nH]1)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571267436 945569901 /nfs/dbraw/zinc/56/99/01/945569901.db2.gz VFXYIZVLKHEZJS-QPUJVOFHSA-N 0 1 386.376 -1.028 20 0 GAADMN C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571267437 945568716 /nfs/dbraw/zinc/56/87/16/945568716.db2.gz VFXYIZVLKHEZJS-UFBFGSQYSA-N 0 1 386.376 -1.028 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571268025 945586499 /nfs/dbraw/zinc/58/64/99/945586499.db2.gz LLCQPPXTGYPILN-BXUZGUMPSA-N 0 1 386.416 -1.199 20 0 GAADMN C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571268026 945585155 /nfs/dbraw/zinc/58/51/55/945585155.db2.gz LLCQPPXTGYPILN-FZMZJTMJSA-N 0 1 386.416 -1.199 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571268027 945585703 /nfs/dbraw/zinc/58/57/03/945585703.db2.gz LLCQPPXTGYPILN-RISCZKNCSA-N 0 1 386.416 -1.199 20 0 GAADMN C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571268028 945585544 /nfs/dbraw/zinc/58/55/44/945585544.db2.gz LLCQPPXTGYPILN-SMDDNHRTSA-N 0 1 386.416 -1.199 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571268150 945587186 /nfs/dbraw/zinc/58/71/86/945587186.db2.gz BIKQUQKPUMEDIK-MNOVXSKESA-N 0 1 386.420 -1.828 20 0 GAADMN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571268190 945590456 /nfs/dbraw/zinc/59/04/56/945590456.db2.gz CETMWXFYOPCVKX-GMTAPVOTSA-N 0 1 386.420 -1.344 20 0 GAADMN C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571268191 945590283 /nfs/dbraw/zinc/59/02/83/945590283.db2.gz CETMWXFYOPCVKX-MXWKQRLJSA-N 0 1 386.420 -1.344 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571268201 945590307 /nfs/dbraw/zinc/59/03/07/945590307.db2.gz CLBXBEIYQRQTHO-MNOVXSKESA-N 0 1 386.420 -1.118 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571268202 945590341 /nfs/dbraw/zinc/59/03/41/945590341.db2.gz CLBXBEIYQRQTHO-QWRGUYRKSA-N 0 1 386.420 -1.118 20 0 GAADMN O=C([C@@H]1CCNC(=O)C1)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571268313 945592405 /nfs/dbraw/zinc/59/24/05/945592405.db2.gz CWXIXSPMOQQGPB-NEPJUHHUSA-N 0 1 386.416 -1.151 20 0 GAADMN O=C([C@H]1CCNC(=O)C1)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571268314 945591710 /nfs/dbraw/zinc/59/17/10/945591710.db2.gz CWXIXSPMOQQGPB-NWDGAFQWSA-N 0 1 386.416 -1.151 20 0 GAADMN O=C([C@H]1CCNC(=O)C1)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571268315 945592042 /nfs/dbraw/zinc/59/20/42/945592042.db2.gz CWXIXSPMOQQGPB-RYUDHWBXSA-N 0 1 386.416 -1.151 20 0 GAADMN O=C([C@@H]1CCNC(=O)C1)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571268316 945592239 /nfs/dbraw/zinc/59/22/39/945592239.db2.gz 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O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)[C@@H]1CCNC(=O)CC1 ZINC001571278132 945749527 /nfs/dbraw/zinc/74/95/27/945749527.db2.gz WPBRHZBEJALWDK-AXFHLTTASA-N 0 1 387.404 -1.761 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)[C@H]1CCNC(=O)CC1 ZINC001571278133 945749422 /nfs/dbraw/zinc/74/94/22/945749422.db2.gz WPBRHZBEJALWDK-MXWKQRLJSA-N 0 1 387.404 -1.761 20 0 GAADMN CN1C[C@@H](C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)NC1=O ZINC001571278150 945749154 /nfs/dbraw/zinc/74/91/54/945749154.db2.gz WYQJCKXMFONMKH-GWCFXTLKSA-N 0 1 387.404 -1.654 20 0 GAADMN CN1C[C@H](C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)NC1=O ZINC001571278283 945748976 /nfs/dbraw/zinc/74/89/76/945748976.db2.gz WYQJCKXMFONMKH-GXFFZTMASA-N 0 1 387.404 -1.654 20 0 GAADMN CN1C[C@@H](C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)NC1=O ZINC001571278285 945749809 /nfs/dbraw/zinc/74/98/09/945749809.db2.gz WYQJCKXMFONMKH-MFKMUULPSA-N 0 1 387.404 -1.654 20 0 GAADMN CN1C[C@H](C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)NC1=O ZINC001571278287 945749140 /nfs/dbraw/zinc/74/91/40/945749140.db2.gz WYQJCKXMFONMKH-ZWNOBZJWSA-N 0 1 387.404 -1.654 20 0 GAADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571282511 945847495 /nfs/dbraw/zinc/84/74/95/945847495.db2.gz JGALZEICVJIZBD-PXAZEXFGSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571282511 945847482 /nfs/dbraw/zinc/84/74/82/945847482.db2.gz JGALZEICVJIZBD-PXAZEXFGSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571282511 945847468 /nfs/dbraw/zinc/84/74/68/945847468.db2.gz JGALZEICVJIZBD-PXAZEXFGSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571282512 945848202 /nfs/dbraw/zinc/84/82/02/945848202.db2.gz JGALZEICVJIZBD-SJKOYZFVSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571282512 945848188 /nfs/dbraw/zinc/84/81/88/945848188.db2.gz JGALZEICVJIZBD-SJKOYZFVSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571282512 945848173 /nfs/dbraw/zinc/84/81/73/945848173.db2.gz JGALZEICVJIZBD-SJKOYZFVSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571282613 945855076 /nfs/dbraw/zinc/85/50/76/945855076.db2.gz LXDLEHRRAZOVOZ-GFCCVEGCSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571282613 945855067 /nfs/dbraw/zinc/85/50/67/945855067.db2.gz LXDLEHRRAZOVOZ-GFCCVEGCSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571282613 945855046 /nfs/dbraw/zinc/85/50/46/945855046.db2.gz LXDLEHRRAZOVOZ-GFCCVEGCSA-N 0 1 387.448 -1.062 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571282723 945858788 /nfs/dbraw/zinc/85/87/88/945858788.db2.gz OPZULGVOERFMSU-CHWSQXEVSA-N 0 1 387.448 -1.083 20 0 GAADMN C[NH+](C)CCn1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001571285569 945921537 /nfs/dbraw/zinc/92/15/37/945921537.db2.gz ILESKXFMUXTFPC-UHFFFAOYSA-N 0 1 388.392 -1.683 20 0 GAADMN C[NH+](C)CCn1cc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cn1 ZINC001571285600 945922718 /nfs/dbraw/zinc/92/27/18/945922718.db2.gz JPSZOPASSUQUPF-UHFFFAOYSA-N 0 1 388.392 -1.683 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571286159 945938904 /nfs/dbraw/zinc/93/89/04/945938904.db2.gz ZPZILAKRJJKILP-CMPLNLGQSA-N 0 1 388.388 -1.000 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571286160 945939528 /nfs/dbraw/zinc/93/95/28/945939528.db2.gz ZPZILAKRJJKILP-JQWIXIFHSA-N 0 1 388.388 -1.000 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571286161 945940411 /nfs/dbraw/zinc/94/04/11/945940411.db2.gz ZPZILAKRJJKILP-PWSUYJOCSA-N 0 1 388.388 -1.000 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571286162 945939597 /nfs/dbraw/zinc/93/95/97/945939597.db2.gz ZPZILAKRJJKILP-ZYHUDNBSSA-N 0 1 388.388 -1.000 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001571286263 945943160 /nfs/dbraw/zinc/94/31/60/945943160.db2.gz CIVOXLOXHUZKHT-HZSPNIEDSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001571286264 945942899 /nfs/dbraw/zinc/94/28/99/945942899.db2.gz CIVOXLOXHUZKHT-MGPQQGTHSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001571286605 945952917 /nfs/dbraw/zinc/95/29/17/945952917.db2.gz MCSKSQANVJLZRG-HZSPNIEDSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001571286606 945953427 /nfs/dbraw/zinc/95/34/27/945953427.db2.gz MCSKSQANVJLZRG-MGPQQGTHSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001571286726 945957556 /nfs/dbraw/zinc/95/75/56/945957556.db2.gz PXRFEPBGKNUOEX-RDBSUJKOSA-N 0 1 388.432 -1.019 20 0 GAADMN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001571286767 945957963 /nfs/dbraw/zinc/95/79/63/945957963.db2.gz QZQDQRZRJNQNHC-GDLCADMTSA-N 0 1 388.432 -1.162 20 0 GAADMN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001571286768 945957430 /nfs/dbraw/zinc/95/74/30/945957430.db2.gz QZQDQRZRJNQNHC-HONMWMINSA-N 0 1 388.432 -1.162 20 0 GAADMN O=C(N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571287637 945975145 /nfs/dbraw/zinc/97/51/45/945975145.db2.gz GMEBFIJZOSAONR-KGLIPLIRSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(NCC1CN(C[C@H](O)CN2CCCC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571288717 945991340 /nfs/dbraw/zinc/99/13/40/945991340.db2.gz RRPFYAVWFGDXLW-ZDUSSCGKSA-N 0 1 388.432 -1.160 20 0 GAADMN O=C(CN1CCOCC1)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571292302 946093463 /nfs/dbraw/zinc/09/34/63/946093463.db2.gz XNTBOCPUQNDLKL-GFCCVEGCSA-N 0 1 389.420 -1.950 20 0 GAADMN O=C(CN1CCOCC1)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571292305 946091878 /nfs/dbraw/zinc/09/18/78/946091878.db2.gz XNTBOCPUQNDLKL-LBPRGKRZSA-N 0 1 389.420 -1.950 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC(=O)N[C@@H](C)C3)CC2)o1 ZINC001571292402 946096438 /nfs/dbraw/zinc/09/64/38/946096438.db2.gz YZBTVUMAEOOJAG-JTQLQIEISA-N 0 1 389.420 -1.368 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC(=O)N[C@H](C)C3)CC2)o1 ZINC001571292404 946095360 /nfs/dbraw/zinc/09/53/60/946095360.db2.gz YZBTVUMAEOOJAG-SNVBAGLBSA-N 0 1 389.420 -1.368 20 0 GAADMN C[NH+]1CCC(OCC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001571295739 946174032 /nfs/dbraw/zinc/17/40/32/946174032.db2.gz DMJARMVUPVKJIS-UHFFFAOYSA-N 0 1 390.404 -1.377 20 0 GAADMN O=C([C@@H]1COCCO1)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571295918 946179274 /nfs/dbraw/zinc/17/92/74/946179274.db2.gz JIRPFWUPFGQFPA-NEPJUHHUSA-N 0 1 390.404 -1.477 20 0 GAADMN O=C([C@H]1COCCO1)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571295919 946180540 /nfs/dbraw/zinc/18/05/40/946180540.db2.gz JIRPFWUPFGQFPA-NWDGAFQWSA-N 0 1 390.404 -1.477 20 0 GAADMN O=C([C@@H]1COCCO1)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571295920 946180664 /nfs/dbraw/zinc/18/06/64/946180664.db2.gz JIRPFWUPFGQFPA-RYUDHWBXSA-N 0 1 390.404 -1.477 20 0 GAADMN O=C([C@H]1COCCO1)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571295921 946179598 /nfs/dbraw/zinc/17/95/98/946179598.db2.gz JIRPFWUPFGQFPA-VXGBXAGGSA-N 0 1 390.404 -1.477 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CCS(=O)(=O)N1 ZINC001571295997 946183150 /nfs/dbraw/zinc/18/31/50/946183150.db2.gz LYFZMHFCWXEIOH-SRRSOLGSSA-N 0 1 390.429 -1.496 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCS(=O)(=O)N1 ZINC001571295998 946181641 /nfs/dbraw/zinc/18/16/41/946181641.db2.gz LYFZMHFCWXEIOH-XZUYRWCXSA-N 0 1 390.429 -1.496 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001571296100 946185092 /nfs/dbraw/zinc/18/50/92/946185092.db2.gz NSDCZXWBHFLYER-UHFFFAOYSA-N 0 1 390.404 -1.502 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC001571296301 946192646 /nfs/dbraw/zinc/19/26/46/946192646.db2.gz UBAAFXVMGDCQNB-SVDPJWKOSA-N 0 1 390.429 -1.358 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@H]1CCS(=O)(=O)C1 ZINC001571296302 946192746 /nfs/dbraw/zinc/19/27/46/946192746.db2.gz UBAAFXVMGDCQNB-UXCLJVHYSA-N 0 1 390.429 -1.358 20 0 GAADMN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571302275 946298217 /nfs/dbraw/zinc/29/82/17/946298217.db2.gz STONFSCJPURWHV-SECBINFHSA-N 0 1 391.392 -2.293 20 0 GAADMN C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571302276 946297900 /nfs/dbraw/zinc/29/79/00/946297900.db2.gz STONFSCJPURWHV-VIFPVBQESA-N 0 1 391.392 -2.293 20 0 GAADMN C[C@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[NH+](C)CC1 ZINC001571303354 946334635 /nfs/dbraw/zinc/33/46/35/946334635.db2.gz KVUQHKLTCGLPEY-LLVKDONJSA-N 0 1 391.436 -1.729 20 0 GAADMN C[C@@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[NH+](C)CC1 ZINC001571303359 946333099 /nfs/dbraw/zinc/33/30/99/946333099.db2.gz KVUQHKLTCGLPEY-NSHDSACASA-N 0 1 391.436 -1.729 20 0 GAADMN CN(C)S(=O)(=O)NCC(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001571308380 946433291 /nfs/dbraw/zinc/43/32/91/946433291.db2.gz PHBMVBFKOWDQJH-UHFFFAOYSA-N 0 1 392.405 -1.218 20 0 GAADMN COC(=O)[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+](C)C1 ZINC001571308541 946433653 /nfs/dbraw/zinc/43/36/53/946433653.db2.gz QKHZGQLDDJVHSE-SECBINFHSA-N 0 1 392.376 -2.308 20 0 GAADMN COC(=O)[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+](C)C1 ZINC001571308541 946433651 /nfs/dbraw/zinc/43/36/51/946433651.db2.gz QKHZGQLDDJVHSE-SECBINFHSA-N 0 1 392.376 -2.308 20 0 GAADMN COC(=O)[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+](C)C1 ZINC001571308542 946433177 /nfs/dbraw/zinc/43/31/77/946433177.db2.gz QKHZGQLDDJVHSE-VIFPVBQESA-N 0 1 392.376 -2.308 20 0 GAADMN COC(=O)[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+](C)C1 ZINC001571308542 946433173 /nfs/dbraw/zinc/43/31/73/946433173.db2.gz QKHZGQLDDJVHSE-VIFPVBQESA-N 0 1 392.376 -2.308 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)NC[C@@]12COCCN1C(=O)COC2 ZINC001571308579 946436024 /nfs/dbraw/zinc/43/60/24/946436024.db2.gz RNLSMZZJJLBKFL-AWEZNQCLSA-N 0 1 392.380 -2.615 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)NC[C@]12COCCN1C(=O)COC2 ZINC001571308580 946436112 /nfs/dbraw/zinc/43/61/12/946436112.db2.gz RNLSMZZJJLBKFL-CQSZACIVSA-N 0 1 392.380 -2.615 20 0 GAADMN C[NH+](C)CC1(O)CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001571309501 946446869 /nfs/dbraw/zinc/44/68/69/946446869.db2.gz BUBZHDHGDGBCMD-UHFFFAOYSA-N 0 1 392.420 -1.566 20 0 GAADMN COC1CC[NH+](CCNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001571309611 946448652 /nfs/dbraw/zinc/44/86/52/946448652.db2.gz FRDDQOCDROFWLG-UHFFFAOYSA-N 0 1 392.420 -1.254 20 0 GAADMN O=C(CN1CCCS1(=O)=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571310322 946469517 /nfs/dbraw/zinc/46/95/17/946469517.db2.gz BKNZZIIFRZFMTD-XYPYZODXSA-N 0 1 392.445 -1.222 20 0 GAADMN O=C(NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001571310416 946470365 /nfs/dbraw/zinc/47/03/65/946470365.db2.gz FIGYFOJREKTQKT-CWSCBRNRSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001571310417 946471790 /nfs/dbraw/zinc/47/17/90/946471790.db2.gz FIGYFOJREKTQKT-GBIKHYSHSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001571310418 946471269 /nfs/dbraw/zinc/47/12/69/946471269.db2.gz FIGYFOJREKTQKT-GIPNMCIBSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001571310419 946471523 /nfs/dbraw/zinc/47/15/23/946471523.db2.gz FIGYFOJREKTQKT-KWBADKCTSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571310836 946478831 /nfs/dbraw/zinc/47/88/31/946478831.db2.gz NYHSZASWRXQAHL-GHMZBOCLSA-N 0 1 392.445 -1.226 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571310837 946478907 /nfs/dbraw/zinc/47/89/07/946478907.db2.gz NYHSZASWRXQAHL-MNOVXSKESA-N 0 1 392.445 -1.226 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571310838 946479709 /nfs/dbraw/zinc/47/97/09/946479709.db2.gz NYHSZASWRXQAHL-QWRGUYRKSA-N 0 1 392.445 -1.226 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571310839 946479471 /nfs/dbraw/zinc/47/94/71/946479471.db2.gz NYHSZASWRXQAHL-WDEREUQCSA-N 0 1 392.445 -1.226 20 0 GAADMN O=C(C1CS(=O)(=O)C1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571310997 946481311 /nfs/dbraw/zinc/48/13/11/946481311.db2.gz PHIOXXVQFQEEFV-LLVKDONJSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C(C1CS(=O)(=O)C1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571310998 946480730 /nfs/dbraw/zinc/48/07/30/946480730.db2.gz PHIOXXVQFQEEFV-NSHDSACASA-N 0 1 392.445 -1.084 20 0 GAADMN O=C(C1CCS(=O)(=O)CC1)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571311141 946482829 /nfs/dbraw/zinc/48/28/29/946482829.db2.gz RWLHRUSZQMMONZ-LLVKDONJSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C(C1CCS(=O)(=O)CC1)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571311142 946482472 /nfs/dbraw/zinc/48/24/72/946482472.db2.gz RWLHRUSZQMMONZ-NSHDSACASA-N 0 1 392.445 -1.084 20 0 GAADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571311178 946482517 /nfs/dbraw/zinc/48/25/17/946482517.db2.gz SKQHSWOBWFFRNV-HSOILSAZSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571311179 946483532 /nfs/dbraw/zinc/48/35/32/946483532.db2.gz SKQHSWOBWFFRNV-YVNMAJEFSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571311439 946487074 /nfs/dbraw/zinc/48/70/74/946487074.db2.gz XOWBCIBZCPBSQJ-JTQLQIEISA-N 0 1 392.445 -1.226 20 0 GAADMN O=C(C1CS(=O)(=O)C1)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571311440 946486894 /nfs/dbraw/zinc/48/68/94/946486894.db2.gz XOWBCIBZCPBSQJ-SNVBAGLBSA-N 0 1 392.445 -1.226 20 0 GAADMN C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571311452 946487789 /nfs/dbraw/zinc/48/77/89/946487789.db2.gz XUDYTTKKZSYQGC-MWLCHTKSSA-N 0 1 392.445 -1.228 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571311567 946489978 /nfs/dbraw/zinc/48/99/78/946489978.db2.gz ZYHMAMNRZGZOAB-JTQLQIEISA-N 0 1 392.445 -1.226 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571311568 946489247 /nfs/dbraw/zinc/48/92/47/946489247.db2.gz ZYHMAMNRZGZOAB-SNVBAGLBSA-N 0 1 392.445 -1.226 20 0 GAADMN CC(=O)N(C)CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001573388288 947918396 /nfs/dbraw/zinc/91/83/96/947918396.db2.gz KJUODBVMVYUAJX-GFCCVEGCSA-N 0 1 376.421 -1.005 20 0 GAADMN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001573388289 947919137 /nfs/dbraw/zinc/91/91/37/947919137.db2.gz KJUODBVMVYUAJX-LBPRGKRZSA-N 0 1 376.421 -1.005 20 0 GAADMN CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573388334 947918233 /nfs/dbraw/zinc/91/82/33/947918233.db2.gz LBXANQGIIMJEEL-GFCCVEGCSA-N 0 1 376.421 -1.298 20 0 GAADMN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573388335 947918374 /nfs/dbraw/zinc/91/83/74/947918374.db2.gz LBXANQGIIMJEEL-LBPRGKRZSA-N 0 1 376.421 -1.298 20 0 GAADMN CC(=O)N(C)CC(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573389067 947922426 /nfs/dbraw/zinc/92/24/26/947922426.db2.gz PLROALGHIQZEJU-UHFFFAOYSA-N 0 1 376.421 -1.297 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573390927 947934385 /nfs/dbraw/zinc/93/43/85/947934385.db2.gz DRXSLGSLVXQQSM-CMPLNLGQSA-N 0 1 389.420 -1.415 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573390931 947934783 /nfs/dbraw/zinc/93/47/83/947934783.db2.gz DRXSLGSLVXQQSM-JQWIXIFHSA-N 0 1 389.420 -1.415 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573390936 947933352 /nfs/dbraw/zinc/93/33/52/947933352.db2.gz DRXSLGSLVXQQSM-PWSUYJOCSA-N 0 1 389.420 -1.415 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573390941 947933618 /nfs/dbraw/zinc/93/36/18/947933618.db2.gz DRXSLGSLVXQQSM-ZYHUDNBSSA-N 0 1 389.420 -1.415 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573392192 947945032 /nfs/dbraw/zinc/94/50/32/947945032.db2.gz VZUPYFQJAFWHCP-GFCCVEGCSA-N 0 1 389.420 -1.414 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573392193 947944152 /nfs/dbraw/zinc/94/41/52/947944152.db2.gz VZUPYFQJAFWHCP-LBPRGKRZSA-N 0 1 389.420 -1.414 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573392245 947943955 /nfs/dbraw/zinc/94/39/55/947943955.db2.gz YHXINJUXPOSEGX-LLVKDONJSA-N 0 1 375.393 -1.804 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573392246 947943651 /nfs/dbraw/zinc/94/36/51/947943651.db2.gz YHXINJUXPOSEGX-NSHDSACASA-N 0 1 375.393 -1.804 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573393051 947955316 /nfs/dbraw/zinc/95/53/16/947955316.db2.gz IXKNGJIQGUPGAT-UHFFFAOYSA-N 0 1 388.432 -1.073 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573393403 947957575 /nfs/dbraw/zinc/95/75/75/947957575.db2.gz LPPIACGXYGDZLS-UHFFFAOYSA-N 0 1 389.420 -1.678 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573393450 947959372 /nfs/dbraw/zinc/95/93/72/947959372.db2.gz NEKCFIMEGUTILF-INIZCTEOSA-N 0 1 389.420 -1.678 20 0 GAADMN CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573393451 947958185 /nfs/dbraw/zinc/95/81/85/947958185.db2.gz NEKCFIMEGUTILF-MRXNPFEDSA-N 0 1 389.420 -1.678 20 0 GAADMN CC(=O)N(C)CC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001573398130 947978318 /nfs/dbraw/zinc/97/83/18/947978318.db2.gz GUOPCNDUZIQIHS-UHFFFAOYSA-N 0 1 389.420 -1.366 20 0 GAADMN CC(=O)N(C)CC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573398151 947978259 /nfs/dbraw/zinc/97/82/59/947978259.db2.gz HJUOSEIJTBPRRK-INIZCTEOSA-N 0 1 389.420 -1.418 20 0 GAADMN CC(=O)N(C)CC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573398152 947978170 /nfs/dbraw/zinc/97/81/70/947978170.db2.gz HJUOSEIJTBPRRK-MRXNPFEDSA-N 0 1 389.420 -1.418 20 0 GAADMN CC(=O)N(C)CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573399268 947990518 /nfs/dbraw/zinc/99/05/18/947990518.db2.gz UOTOXDJSXMKCLI-UHFFFAOYSA-N 0 1 389.420 -1.418 20 0 GAADMN CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001573401793 947997851 /nfs/dbraw/zinc/99/78/51/947997851.db2.gz CSDOTKPGIVYJKE-GHMZBOCLSA-N 0 1 375.393 -1.809 20 0 GAADMN CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001573401795 947998591 /nfs/dbraw/zinc/99/85/91/947998591.db2.gz CSDOTKPGIVYJKE-MNOVXSKESA-N 0 1 375.393 -1.809 20 0 GAADMN CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001573401796 947998558 /nfs/dbraw/zinc/99/85/58/947998558.db2.gz CSDOTKPGIVYJKE-QWRGUYRKSA-N 0 1 375.393 -1.809 20 0 GAADMN CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001573401797 947997384 /nfs/dbraw/zinc/99/73/84/947997384.db2.gz CSDOTKPGIVYJKE-WDEREUQCSA-N 0 1 375.393 -1.809 20 0 GAADMN CC(=O)N(C)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001573404195 948017385 /nfs/dbraw/zinc/01/73/85/948017385.db2.gz AEBGWCADEXHMID-UHFFFAOYSA-N 0 1 389.420 -1.366 20 0 GAADMN CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001573404253 948018839 /nfs/dbraw/zinc/01/88/39/948018839.db2.gz BJJXRPSZAAKVPT-GFCCVEGCSA-N 0 1 389.420 -1.154 20 0 GAADMN CC(=O)N(C)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001573404254 948020670 /nfs/dbraw/zinc/02/06/70/948020670.db2.gz BJJXRPSZAAKVPT-LBPRGKRZSA-N 0 1 389.420 -1.154 20 0 GAADMN CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001573404288 948019407 /nfs/dbraw/zinc/01/94/07/948019407.db2.gz CMCQZLBEDCWSDU-LLVKDONJSA-N 0 1 375.393 -1.544 20 0 GAADMN CC(=O)N(C)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001573404389 948021926 /nfs/dbraw/zinc/02/19/26/948021926.db2.gz CMCQZLBEDCWSDU-NSHDSACASA-N 0 1 375.393 -1.544 20 0 GAADMN CC(=O)N(C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573404667 948031596 /nfs/dbraw/zinc/03/15/96/948031596.db2.gz IZNINOISJPWBOF-HNNXBMFYSA-N 0 1 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OTVHGPNKSGKDLP-SNVBAGLBSA-N 0 1 389.420 -1.839 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573515796 946553213 /nfs/dbraw/zinc/55/32/13/946553213.db2.gz RMPZFZAVRDPBTJ-UHFFFAOYSA-N 0 1 389.420 -1.625 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001573515923 946554080 /nfs/dbraw/zinc/55/40/80/946554080.db2.gz SHDCCRYLHQIPBM-SECBINFHSA-N 0 1 375.393 -2.148 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001573515924 946553147 /nfs/dbraw/zinc/55/31/47/946553147.db2.gz SHDCCRYLHQIPBM-VIFPVBQESA-N 0 1 375.393 -2.148 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001573515959 946554729 /nfs/dbraw/zinc/55/47/29/946554729.db2.gz UBVXNSDQESYJIA-JTQLQIEISA-N 0 1 389.420 -1.805 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001573515960 946554911 /nfs/dbraw/zinc/55/49/11/946554911.db2.gz UBVXNSDQESYJIA-SNVBAGLBSA-N 0 1 389.420 -1.805 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573515981 946553575 /nfs/dbraw/zinc/55/35/75/946553575.db2.gz UIUSQGUGSZFYLJ-NXEZZACHSA-N 0 1 389.420 -1.759 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573515982 946553511 /nfs/dbraw/zinc/55/35/11/946553511.db2.gz UIUSQGUGSZFYLJ-UWVGGRQHSA-N 0 1 389.420 -1.759 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573515983 946553252 /nfs/dbraw/zinc/55/32/52/946553252.db2.gz UIUSQGUGSZFYLJ-VHSXEESVSA-N 0 1 389.420 -1.759 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573515984 946554467 /nfs/dbraw/zinc/55/44/67/946554467.db2.gz UIUSQGUGSZFYLJ-ZJUUUORDSA-N 0 1 389.420 -1.759 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N(C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001573516185 946556478 /nfs/dbraw/zinc/55/64/78/946556478.db2.gz VUQIDEZAMXALMW-UHFFFAOYSA-N 0 1 389.420 -1.804 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573516279 946558958 /nfs/dbraw/zinc/55/89/58/946558958.db2.gz XEPVVFHOEMXZLE-LLVKDONJSA-N 0 1 387.404 -2.051 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573516280 946559363 /nfs/dbraw/zinc/55/93/63/946559363.db2.gz XEPVVFHOEMXZLE-NSHDSACASA-N 0 1 387.404 -2.051 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001573516343 946559035 /nfs/dbraw/zinc/55/90/35/946559035.db2.gz YAXWJXHIPUUVGP-UHFFFAOYSA-N 0 1 389.420 -1.591 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573516347 946558977 /nfs/dbraw/zinc/55/89/77/946558977.db2.gz YCHFUAMKZQARNT-JTQLQIEISA-N 0 1 389.420 -1.805 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573516351 946558781 /nfs/dbraw/zinc/55/87/81/946558781.db2.gz YCHFUAMKZQARNT-SNVBAGLBSA-N 0 1 389.420 -1.805 20 0 GAADMN CC(=O)NCC(=O)NCC(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001573516430 946563027 /nfs/dbraw/zinc/56/30/27/946563027.db2.gz ZOHRYTLXQLOEQA-UHFFFAOYSA-N 0 1 375.393 -1.934 20 0 GAADMN CC(=O)NCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001573517392 946571298 /nfs/dbraw/zinc/57/12/98/946571298.db2.gz JCPXHNWSCYFFCQ-HNNXBMFYSA-N 0 1 375.393 -1.496 20 0 GAADMN CC(=O)NCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001573517393 946571940 /nfs/dbraw/zinc/57/19/40/946571940.db2.gz JCPXHNWSCYFFCQ-OAHLLOKOSA-N 0 1 375.393 -1.496 20 0 GAADMN CC(=O)NCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001573517775 946581250 /nfs/dbraw/zinc/58/12/50/946581250.db2.gz RCFIRZUCUDBQHX-UHFFFAOYSA-N 0 1 375.393 -1.708 20 0 GAADMN CC(=O)NCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001573520253 946596303 /nfs/dbraw/zinc/59/63/03/946596303.db2.gz FUUPMQYEXDNKIW-LLVKDONJSA-N 0 1 375.393 -1.496 20 0 GAADMN CC(=O)NCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001573520254 946595040 /nfs/dbraw/zinc/59/50/40/946595040.db2.gz FUUPMQYEXDNKIW-NSHDSACASA-N 0 1 375.393 -1.496 20 0 GAADMN CC(=O)NCC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001573521898 946616286 /nfs/dbraw/zinc/61/62/86/946616286.db2.gz NPWZHTHVCVSGSN-RNFRBKRXSA-N 0 1 386.825 -1.222 20 0 GAADMN CC(=O)NCC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001573521899 946616756 /nfs/dbraw/zinc/61/67/56/946616756.db2.gz NPWZHTHVCVSGSN-RQJHMYQMSA-N 0 1 386.825 -1.222 20 0 GAADMN CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573522686 946627434 /nfs/dbraw/zinc/62/74/34/946627434.db2.gz ILKPRSXBFRADEO-LLVKDONJSA-N 0 1 391.436 -1.528 20 0 GAADMN CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573522693 946627607 /nfs/dbraw/zinc/62/76/07/946627607.db2.gz ILKPRSXBFRADEO-NSHDSACASA-N 0 1 391.436 -1.528 20 0 GAADMN CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573527873 946650350 /nfs/dbraw/zinc/65/03/50/946650350.db2.gz KKXYRVZYNGORQN-LLVKDONJSA-N 0 1 376.421 -1.265 20 0 GAADMN CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573527874 946650691 /nfs/dbraw/zinc/65/06/91/946650691.db2.gz KKXYRVZYNGORQN-NSHDSACASA-N 0 1 376.421 -1.265 20 0 GAADMN CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001573527943 946650987 /nfs/dbraw/zinc/65/09/87/946650987.db2.gz MLCGRDNCTBNNME-LLVKDONJSA-N 0 1 376.421 -1.265 20 0 GAADMN CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001573527944 946652862 /nfs/dbraw/zinc/65/28/62/946652862.db2.gz MLCGRDNCTBNNME-NSHDSACASA-N 0 1 376.421 -1.265 20 0 GAADMN CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001573527981 946652999 /nfs/dbraw/zinc/65/29/99/946652999.db2.gz OGNOOICIAZYQMQ-MNOVXSKESA-N 0 1 389.420 -1.515 20 0 GAADMN CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573536110 946729192 /nfs/dbraw/zinc/72/91/92/946729192.db2.gz PHSSZQYJKVQPIM-BXUZGUMPSA-N 0 1 376.421 -1.267 20 0 GAADMN CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573536112 946731070 /nfs/dbraw/zinc/73/10/70/946731070.db2.gz PHSSZQYJKVQPIM-SMDDNHRTSA-N 0 1 376.421 -1.267 20 0 GAADMN CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C(C)C ZINC001573536321 946732416 /nfs/dbraw/zinc/73/24/16/946732416.db2.gz SQMIWXYQFFSHCV-NQBHXWOUSA-N 0 1 389.420 -1.517 20 0 GAADMN CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C(C)C ZINC001573536323 946732152 /nfs/dbraw/zinc/73/21/52/946732152.db2.gz SQMIWXYQFFSHCV-NTZNESFSSA-N 0 1 389.420 -1.517 20 0 GAADMN CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001573537055 946743409 /nfs/dbraw/zinc/74/34/09/946743409.db2.gz FXJWLBPRUNDGTF-DGCLKSJQSA-N 0 1 391.436 -1.530 20 0 GAADMN CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001573537056 946742795 /nfs/dbraw/zinc/74/27/95/946742795.db2.gz FXJWLBPRUNDGTF-WCQYABFASA-N 0 1 391.436 -1.530 20 0 GAADMN CC(=O)N[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001573537608 946753193 /nfs/dbraw/zinc/75/31/93/946753193.db2.gz POVBFDFZDZOKCD-CYBMUJFWSA-N 0 1 391.436 -1.528 20 0 GAADMN CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC001573537923 946759645 /nfs/dbraw/zinc/75/96/45/946759645.db2.gz MZLAWGXTEJHTKU-JTQLQIEISA-N 0 1 380.434 -1.486 20 0 GAADMN CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(N)=O ZINC001573537923 946759641 /nfs/dbraw/zinc/75/96/41/946759641.db2.gz MZLAWGXTEJHTKU-JTQLQIEISA-N 0 1 380.434 -1.486 20 0 GAADMN CC(=O)N[C@@H](CC(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O ZINC001573538007 946759669 /nfs/dbraw/zinc/75/96/69/946759669.db2.gz OOCDKMULYKBDLV-AWEZNQCLSA-N 0 1 388.432 -1.205 20 0 GAADMN CC(=O)N[C@@H](CC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1)C(N)=O ZINC001573538655 946772787 /nfs/dbraw/zinc/77/27/87/946772787.db2.gz ZQIPQCGDJBIYED-LBPRGKRZSA-N 0 1 389.420 -1.464 20 0 GAADMN C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)n1cncn1 ZINC001573592590 947342240 /nfs/dbraw/zinc/34/22/40/947342240.db2.gz KWHNJGMSOHVAER-GHMZBOCLSA-N 0 1 387.408 -1.235 20 0 GAADMN C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)n1cncn1 ZINC001573592591 947343763 /nfs/dbraw/zinc/34/37/63/947343763.db2.gz KWHNJGMSOHVAER-MNOVXSKESA-N 0 1 387.408 -1.235 20 0 GAADMN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)n1cncn1 ZINC001573592592 947343110 /nfs/dbraw/zinc/34/31/10/947343110.db2.gz KWHNJGMSOHVAER-QWRGUYRKSA-N 0 1 387.408 -1.235 20 0 GAADMN C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)n1cncn1 ZINC001573592593 947344017 /nfs/dbraw/zinc/34/40/17/947344017.db2.gz KWHNJGMSOHVAER-WDEREUQCSA-N 0 1 387.408 -1.235 20 0 GAADMN C[C@H](C(=O)N(C)C)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573593056 947361568 /nfs/dbraw/zinc/36/15/68/947361568.db2.gz HZVMDFBVHVPSDS-HWPZZCPQSA-N 0 1 376.421 -1.162 20 0 GAADMN C[C@@H](C(=O)N(C)C)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573593058 947361048 /nfs/dbraw/zinc/36/10/48/947361048.db2.gz HZVMDFBVHVPSDS-MGPLVRAMSA-N 0 1 376.421 -1.162 20 0 GAADMN C[C@@H](C(=O)N(C)C)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573593060 947362090 /nfs/dbraw/zinc/36/20/90/947362090.db2.gz HZVMDFBVHVPSDS-QFYYESIMSA-N 0 1 376.421 -1.162 20 0 GAADMN C[C@H](C(=O)N(C)C)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573593063 947362977 /nfs/dbraw/zinc/36/29/77/947362977.db2.gz HZVMDFBVHVPSDS-QLJPJBMISA-N 0 1 376.421 -1.162 20 0 GAADMN C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573595102 947414911 /nfs/dbraw/zinc/41/49/11/947414911.db2.gz FOYRKCVAXOPHSW-BDAKNGLRSA-N 0 1 384.422 -2.257 20 0 GAADMN C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573595105 947415538 /nfs/dbraw/zinc/41/55/38/947415538.db2.gz FOYRKCVAXOPHSW-DTWKUNHWSA-N 0 1 384.422 -2.257 20 0 GAADMN C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573595107 947414733 /nfs/dbraw/zinc/41/47/33/947414733.db2.gz FOYRKCVAXOPHSW-IUCAKERBSA-N 0 1 384.422 -2.257 20 0 GAADMN C[C@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573595109 947414693 /nfs/dbraw/zinc/41/46/93/947414693.db2.gz FOYRKCVAXOPHSW-RKDXNWHRSA-N 0 1 384.422 -2.257 20 0 GAADMN C[C@H](C(=O)N(C)C)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573595278 947417587 /nfs/dbraw/zinc/41/75/87/947417587.db2.gz XEKRSSAUDOIEHN-HWPZZCPQSA-N 0 1 376.421 -1.162 20 0 GAADMN C[C@@H](C(=O)N(C)C)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573595279 947418178 /nfs/dbraw/zinc/41/81/78/947418178.db2.gz XEKRSSAUDOIEHN-MGPLVRAMSA-N 0 1 376.421 -1.162 20 0 GAADMN C[C@@H](C(=O)N(C)C)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573595280 947416867 /nfs/dbraw/zinc/41/68/67/947416867.db2.gz XEKRSSAUDOIEHN-QFYYESIMSA-N 0 1 376.421 -1.162 20 0 GAADMN C[C@H](C(=O)N(C)C)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573595281 947417539 /nfs/dbraw/zinc/41/75/39/947417539.db2.gz XEKRSSAUDOIEHN-QLJPJBMISA-N 0 1 376.421 -1.162 20 0 GAADMN C[C@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573596936 947434993 /nfs/dbraw/zinc/43/49/93/947434993.db2.gz MBVPYUMBAHRWHK-CMPLNLGQSA-N 0 1 386.420 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C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573607373 947546355 /nfs/dbraw/zinc/54/63/55/947546355.db2.gz LUMHNDOCCIUVEB-LLVKDONJSA-N 0 1 386.420 -1.151 20 0 GAADMN C[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573607374 947547724 /nfs/dbraw/zinc/54/77/24/947547724.db2.gz LUMHNDOCCIUVEB-NSHDSACASA-N 0 1 386.420 -1.151 20 0 GAADMN C[C@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001573607793 947553381 /nfs/dbraw/zinc/55/33/81/947553381.db2.gz RKQQCDCYLRHAJL-AAEUAGOBSA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@H]1CCC(=O)N1 ZINC001573607794 947553555 /nfs/dbraw/zinc/55/35/55/947553555.db2.gz RKQQCDCYLRHAJL-DGCLKSJQSA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@H]1CCC(=O)N1 ZINC001573607795 947552695 /nfs/dbraw/zinc/55/26/95/947552695.db2.gz RKQQCDCYLRHAJL-WCQYABFASA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001573607796 947553875 /nfs/dbraw/zinc/55/38/75/947553875.db2.gz RKQQCDCYLRHAJL-YPMHNXCESA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573608050 947556512 /nfs/dbraw/zinc/55/65/12/947556512.db2.gz VGEKJJQGAHRIEC-SECBINFHSA-N 0 1 384.422 -2.256 20 0 GAADMN C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573608051 947557292 /nfs/dbraw/zinc/55/72/92/947557292.db2.gz VGEKJJQGAHRIEC-VIFPVBQESA-N 0 1 384.422 -2.256 20 0 GAADMN C[C@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573617910 947643598 /nfs/dbraw/zinc/64/35/98/947643598.db2.gz QMGMNRUWGGWVKX-NXEZZACHSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573617911 947642639 /nfs/dbraw/zinc/64/26/39/947642639.db2.gz QMGMNRUWGGWVKX-UWVGGRQHSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573617912 947643363 /nfs/dbraw/zinc/64/33/63/947643363.db2.gz QMGMNRUWGGWVKX-VHSXEESVSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573617913 947643709 /nfs/dbraw/zinc/64/37/09/947643709.db2.gz QMGMNRUWGGWVKX-ZJUUUORDSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)S(C)(=O)=O ZINC001573623167 947685579 /nfs/dbraw/zinc/68/55/79/947685579.db2.gz DJTISKWENAATON-SECBINFHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)S(C)(=O)=O ZINC001573623170 947685364 /nfs/dbraw/zinc/68/53/64/947685364.db2.gz DJTISKWENAATON-VIFPVBQESA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573628249 947751300 /nfs/dbraw/zinc/75/13/00/947751300.db2.gz JLYIZCDJGMZTIJ-NXEZZACHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573628250 947750802 /nfs/dbraw/zinc/75/08/02/947750802.db2.gz JLYIZCDJGMZTIJ-UWVGGRQHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573628251 947750733 /nfs/dbraw/zinc/75/07/33/947750733.db2.gz JLYIZCDJGMZTIJ-VHSXEESVSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001573628252 947751160 /nfs/dbraw/zinc/75/11/60/947751160.db2.gz JLYIZCDJGMZTIJ-ZJUUUORDSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573637390 947813445 /nfs/dbraw/zinc/81/34/45/947813445.db2.gz BLIXVJZUDXJZSL-NXEZZACHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573637391 947812283 /nfs/dbraw/zinc/81/22/83/947812283.db2.gz BLIXVJZUDXJZSL-VHSXEESVSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573638041 947832376 /nfs/dbraw/zinc/83/23/76/947832376.db2.gz BLIXVJZUDXJZSL-UWVGGRQHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573638043 947831742 /nfs/dbraw/zinc/83/17/42/947831742.db2.gz BLIXVJZUDXJZSL-ZJUUUORDSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cncn1 ZINC001573640017 947848277 /nfs/dbraw/zinc/84/82/77/947848277.db2.gz FAIXULSOSSQZGA-GHMZBOCLSA-N 0 1 385.392 -1.429 20 0 GAADMN C[C@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cncn1 ZINC001573640019 947848101 /nfs/dbraw/zinc/84/81/01/947848101.db2.gz FAIXULSOSSQZGA-MNOVXSKESA-N 0 1 385.392 -1.429 20 0 GAADMN C[C@@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cncn1 ZINC001573640021 947848653 /nfs/dbraw/zinc/84/86/53/947848653.db2.gz FAIXULSOSSQZGA-QWRGUYRKSA-N 0 1 385.392 -1.429 20 0 GAADMN C[C@@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cncn1 ZINC001573640024 947849185 /nfs/dbraw/zinc/84/91/85/947849185.db2.gz FAIXULSOSSQZGA-WDEREUQCSA-N 0 1 385.392 -1.429 20 0 GAADMN C[C@H](C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)n1cnc(-c2nn[nH]n2)n1 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FFNMKJKDTSOUMM-WPRPVWTQSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](C(=O)NC(N)=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573657043 947996364 /nfs/dbraw/zinc/99/63/64/947996364.db2.gz JYCMQJFYQDKOJD-BDAKNGLRSA-N 0 1 375.393 -1.076 20 0 GAADMN C[C@@H](C(=O)NC(N)=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573657044 947996641 /nfs/dbraw/zinc/99/66/41/947996641.db2.gz JYCMQJFYQDKOJD-DTWKUNHWSA-N 0 1 375.393 -1.076 20 0 GAADMN C[C@@H](C(=O)NC(N)=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573657045 947997234 /nfs/dbraw/zinc/99/72/34/947997234.db2.gz JYCMQJFYQDKOJD-IUCAKERBSA-N 0 1 375.393 -1.076 20 0 GAADMN C[C@H](C(=O)NC(N)=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573657046 947996577 /nfs/dbraw/zinc/99/65/77/947996577.db2.gz JYCMQJFYQDKOJD-RKDXNWHRSA-N 0 1 375.393 -1.076 20 0 GAADMN C[C@H](C(=O)NC(N)=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573657644 948003241 /nfs/dbraw/zinc/00/32/41/948003241.db2.gz 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0 1 387.404 -1.074 20 0 GAADMN C[C@H](C(=O)NC(N)=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658858 948012286 /nfs/dbraw/zinc/01/22/86/948012286.db2.gz TYIPHUZVMAICOD-PSASIEDQSA-N 0 1 375.393 -1.076 20 0 GAADMN C[C@H](C(=O)NC(N)=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658859 948011859 /nfs/dbraw/zinc/01/18/59/948011859.db2.gz TYIPHUZVMAICOD-SCZZXKLOSA-N 0 1 375.393 -1.076 20 0 GAADMN C[C@@H](C(=O)NC(N)=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658860 948011739 /nfs/dbraw/zinc/01/17/39/948011739.db2.gz TYIPHUZVMAICOD-WCBMZHEXSA-N 0 1 375.393 -1.076 20 0 GAADMN C[C@@H](C(=O)NC(N)=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658862 948012619 /nfs/dbraw/zinc/01/26/19/948012619.db2.gz TYIPHUZVMAICOD-WPRPVWTQSA-N 0 1 375.393 -1.076 20 0 GAADMN C[C@H](C(=O)NC(N)=O)N1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001573659516 948016261 /nfs/dbraw/zinc/01/62/61/948016261.db2.gz WJSOMHGVWDGNAO-SECBINFHSA-N 0 1 387.404 -1.074 20 0 GAADMN C[C@@H](C(=O)NC(N)=O)N1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001573659520 948016292 /nfs/dbraw/zinc/01/62/92/948016292.db2.gz WJSOMHGVWDGNAO-VIFPVBQESA-N 0 1 387.404 -1.074 20 0 GAADMN C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1 ZINC001573660101 948018697 /nfs/dbraw/zinc/01/86/97/948018697.db2.gz YTYWYAOGWXCIBW-BBBLOLIVSA-N 0 1 387.404 -1.218 20 0 GAADMN C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1 ZINC001573660102 948018526 /nfs/dbraw/zinc/01/85/26/948018526.db2.gz YTYWYAOGWXCIBW-LPEHRKFASA-N 0 1 387.404 -1.218 20 0 GAADMN C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001573660105 948017563 /nfs/dbraw/zinc/01/75/63/948017563.db2.gz YUWKATGUJLPGBF-IEBDPFPHSA-N 0 1 387.404 -1.218 20 0 GAADMN C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001573660106 948020870 /nfs/dbraw/zinc/02/08/70/948020870.db2.gz YUWKATGUJLPGBF-INTQDDNPSA-N 0 1 387.404 -1.218 20 0 GAADMN C[C@@H](C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573663142 948032158 /nfs/dbraw/zinc/03/21/58/948032158.db2.gz JSAZPEGSFULZDD-IDKOKCKLSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573663143 948032623 /nfs/dbraw/zinc/03/26/23/948032623.db2.gz JSAZPEGSFULZDD-XNWIYYODSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](C(=O)NC1CCN([C@@H]2CCOC2=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573675315 948121305 /nfs/dbraw/zinc/12/13/05/948121305.db2.gz PQWRHWNPXXOAFY-GXSJLCMTSA-N 0 1 375.393 -1.085 20 0 GAADMN C[C@H](C(=O)NC1CCN([C@H]2CCOC2=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573675318 948120916 /nfs/dbraw/zinc/12/09/16/948120916.db2.gz PQWRHWNPXXOAFY-KOLCDFICSA-N 0 1 375.393 -1.085 20 0 GAADMN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573675321 948120998 /nfs/dbraw/zinc/12/09/98/948120998.db2.gz PQWRHWNPXXOAFY-MWLCHTKSSA-N 0 1 375.393 -1.085 20 0 GAADMN C[C@@H](C(=O)NC1CCN([C@H]2CCOC2=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573675326 948120487 /nfs/dbraw/zinc/12/04/87/948120487.db2.gz PQWRHWNPXXOAFY-ONGXEEELSA-N 0 1 375.393 -1.085 20 0 GAADMN C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)S(C)(=O)=O ZINC001573677454 948138686 /nfs/dbraw/zinc/13/86/86/948138686.db2.gz ARKUIZYYGINZTG-PSASIEDQSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)S(C)(=O)=O ZINC001573677455 948137517 /nfs/dbraw/zinc/13/75/17/948137517.db2.gz ARKUIZYYGINZTG-SCZZXKLOSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)S(C)(=O)=O ZINC001573677456 948138444 /nfs/dbraw/zinc/13/84/44/948138444.db2.gz ARKUIZYYGINZTG-WCBMZHEXSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)S(C)(=O)=O ZINC001573677457 948138581 /nfs/dbraw/zinc/13/85/81/948138581.db2.gz ARKUIZYYGINZTG-WPRPVWTQSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573677540 948140103 /nfs/dbraw/zinc/14/01/03/948140103.db2.gz XONLAVYLCNVJLX-GXSJLCMTSA-N 0 1 375.393 -1.085 20 0 GAADMN C[C@H](C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573677542 948139312 /nfs/dbraw/zinc/13/93/12/948139312.db2.gz XONLAVYLCNVJLX-KOLCDFICSA-N 0 1 375.393 -1.085 20 0 GAADMN C[C@H](C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573677545 948140415 /nfs/dbraw/zinc/14/04/15/948140415.db2.gz XONLAVYLCNVJLX-MWLCHTKSSA-N 0 1 375.393 -1.085 20 0 GAADMN C[C@@H](C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573677547 948138890 /nfs/dbraw/zinc/13/88/90/948138890.db2.gz XONLAVYLCNVJLX-ONGXEEELSA-N 0 1 375.393 -1.085 20 0 GAADMN C[C@@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573681347 948202033 /nfs/dbraw/zinc/20/20/33/948202033.db2.gz VCWVDTHOCXZWMA-GWCFXTLKSA-N 0 1 382.446 -1.134 20 0 GAADMN C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573681349 948201243 /nfs/dbraw/zinc/20/12/43/948201243.db2.gz VCWVDTHOCXZWMA-GXFFZTMASA-N 0 1 382.446 -1.134 20 0 GAADMN C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573681351 948201808 /nfs/dbraw/zinc/20/18/08/948201808.db2.gz VCWVDTHOCXZWMA-MFKMUULPSA-N 0 1 382.446 -1.134 20 0 GAADMN C[C@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573681353 948201133 /nfs/dbraw/zinc/20/11/33/948201133.db2.gz VCWVDTHOCXZWMA-ZWNOBZJWSA-N 0 1 382.446 -1.134 20 0 GAADMN C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573681692 948209438 /nfs/dbraw/zinc/20/94/38/948209438.db2.gz ZCNLFBXALGWGNX-LLVKDONJSA-N 0 1 376.425 -1.263 20 0 GAADMN C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573681693 948209715 /nfs/dbraw/zinc/20/97/15/948209715.db2.gz ZCNLFBXALGWGNX-NSHDSACASA-N 0 1 376.425 -1.263 20 0 GAADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573690280 948222833 /nfs/dbraw/zinc/22/28/33/948222833.db2.gz CKILLBXLBLLWBF-BDAKNGLRSA-N 0 1 388.475 -1.072 20 0 GAADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573690280 948222826 /nfs/dbraw/zinc/22/28/26/948222826.db2.gz CKILLBXLBLLWBF-BDAKNGLRSA-N 0 1 388.475 -1.072 20 0 GAADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573690281 948224141 /nfs/dbraw/zinc/22/41/41/948224141.db2.gz CKILLBXLBLLWBF-DTWKUNHWSA-N 0 1 388.475 -1.072 20 0 GAADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573690281 948224133 /nfs/dbraw/zinc/22/41/33/948224133.db2.gz CKILLBXLBLLWBF-DTWKUNHWSA-N 0 1 388.475 -1.072 20 0 GAADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573690282 948224265 /nfs/dbraw/zinc/22/42/65/948224265.db2.gz CKILLBXLBLLWBF-IUCAKERBSA-N 0 1 388.475 -1.072 20 0 GAADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573690282 948224260 /nfs/dbraw/zinc/22/42/60/948224260.db2.gz CKILLBXLBLLWBF-IUCAKERBSA-N 0 1 388.475 -1.072 20 0 GAADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573690283 948222411 /nfs/dbraw/zinc/22/24/11/948222411.db2.gz CKILLBXLBLLWBF-RKDXNWHRSA-N 0 1 388.475 -1.072 20 0 GAADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573690283 948222402 /nfs/dbraw/zinc/22/24/02/948222402.db2.gz CKILLBXLBLLWBF-RKDXNWHRSA-N 0 1 388.475 -1.072 20 0 GAADMN C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cncn1 ZINC001573696166 948318673 /nfs/dbraw/zinc/31/86/73/948318673.db2.gz LRBIROGFUXOFOA-BMIGLBTASA-N 0 1 385.392 -1.433 20 0 GAADMN C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cncn1 ZINC001573696167 948318637 /nfs/dbraw/zinc/31/86/37/948318637.db2.gz LRBIROGFUXOFOA-BONVTDFDSA-N 0 1 385.392 -1.433 20 0 GAADMN C[C@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cncn1 ZINC001573696168 948317288 /nfs/dbraw/zinc/31/72/88/948317288.db2.gz LRBIROGFUXOFOA-MEBBXXQBSA-N 0 1 385.392 -1.433 20 0 GAADMN C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cncn1 ZINC001573696169 948318474 /nfs/dbraw/zinc/31/84/74/948318474.db2.gz LRBIROGFUXOFOA-ZUZCIYMTSA-N 0 1 385.392 -1.433 20 0 GAADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)S(C)(=O)=O ZINC001573696212 948319664 /nfs/dbraw/zinc/31/96/64/948319664.db2.gz MCZRBYGMQFILAV-DBIOUOCHSA-N 0 1 392.445 -1.112 20 0 GAADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)S(C)(=O)=O ZINC001573696215 948320185 /nfs/dbraw/zinc/32/01/85/948320185.db2.gz MCZRBYGMQFILAV-XWLWVQCSSA-N 0 1 392.445 -1.112 20 0 GAADMN C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)n1cncn1 ZINC001573706834 948425239 /nfs/dbraw/zinc/42/52/39/948425239.db2.gz LHTLPMVDZZIIHB-GHMZBOCLSA-N 0 1 385.392 -1.169 20 0 GAADMN C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)n1cncn1 ZINC001573706838 948424035 /nfs/dbraw/zinc/42/40/35/948424035.db2.gz LHTLPMVDZZIIHB-MNOVXSKESA-N 0 1 385.392 -1.169 20 0 GAADMN C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)n1cncn1 ZINC001573706842 948424568 /nfs/dbraw/zinc/42/45/68/948424568.db2.gz LHTLPMVDZZIIHB-QWRGUYRKSA-N 0 1 385.392 -1.169 20 0 GAADMN C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)n1cncn1 ZINC001573706846 948426229 /nfs/dbraw/zinc/42/62/29/948426229.db2.gz LHTLPMVDZZIIHB-WDEREUQCSA-N 0 1 385.392 -1.169 20 0 GAADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)n1cncn1 ZINC001573708665 948454923 /nfs/dbraw/zinc/45/49/23/948454923.db2.gz WZISWGFKESFGMU-GHMZBOCLSA-N 0 1 385.392 -1.169 20 0 GAADMN C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)n1cncn1 ZINC001573708666 948454963 /nfs/dbraw/zinc/45/49/63/948454963.db2.gz WZISWGFKESFGMU-MNOVXSKESA-N 0 1 385.392 -1.169 20 0 GAADMN C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)n1cncn1 ZINC001573708667 948455269 /nfs/dbraw/zinc/45/52/69/948455269.db2.gz WZISWGFKESFGMU-QWRGUYRKSA-N 0 1 385.392 -1.169 20 0 GAADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)n1cncn1 ZINC001573708668 948456465 /nfs/dbraw/zinc/45/64/65/948456465.db2.gz WZISWGFKESFGMU-WDEREUQCSA-N 0 1 385.392 -1.169 20 0 GAADMN C[C@H](C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[NH+]1CCSCC1 ZINC001573716189 948496653 /nfs/dbraw/zinc/49/66/53/948496653.db2.gz CUEHXFIQWSTECN-SECBINFHSA-N 0 1 380.434 -1.318 20 0 GAADMN C[C@@H](C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[NH+]1CCSCC1 ZINC001573716190 948497163 /nfs/dbraw/zinc/49/71/63/948497163.db2.gz CUEHXFIQWSTECN-VIFPVBQESA-N 0 1 380.434 -1.318 20 0 GAADMN C[C@H](C(=O)NCCn1cnc(-c2nn[nH]n2)n1)S(=O)(=O)C1CCOCC1 ZINC001573716272 948498336 /nfs/dbraw/zinc/49/83/36/948498336.db2.gz FCJNXWPJISMYKW-SECBINFHSA-N 0 1 384.422 -1.443 20 0 GAADMN C[C@@H](C(=O)NCCn1cnc(-c2nn[nH]n2)n1)S(=O)(=O)C1CCOCC1 ZINC001573716273 948498690 /nfs/dbraw/zinc/49/86/90/948498690.db2.gz FCJNXWPJISMYKW-VIFPVBQESA-N 0 1 384.422 -1.443 20 0 GAADMN C[C@H](C(=O)NCCS(=O)(=O)C1CCOCC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573718799 948521779 /nfs/dbraw/zinc/52/17/79/948521779.db2.gz UCHZRUNAEROXMW-SECBINFHSA-N 0 1 384.422 -1.271 20 0 GAADMN C[C@@H](C(=O)NCCS(=O)(=O)C1CCOCC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573718800 948521215 /nfs/dbraw/zinc/52/12/15/948521215.db2.gz UCHZRUNAEROXMW-VIFPVBQESA-N 0 1 384.422 -1.271 20 0 GAADMN C[C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)n1cnc(-c2nn[n-]n2)n1 ZINC001573725981 948545377 /nfs/dbraw/zinc/54/53/77/948545377.db2.gz DYMJHOUPFXIMKZ-JRPNMDOOSA-N 0 1 377.409 -1.639 20 0 GAADMN C[C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)n1cnc(-c2nn[n-]n2)n1 ZINC001573725982 948546620 /nfs/dbraw/zinc/54/66/20/948546620.db2.gz DYMJHOUPFXIMKZ-ZIBATOQPSA-N 0 1 377.409 -1.639 20 0 GAADMN C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573729878 948573896 /nfs/dbraw/zinc/57/38/96/948573896.db2.gz VRTKUBIPEUIENN-BBBLOLIVSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573729881 948573340 /nfs/dbraw/zinc/57/33/40/948573340.db2.gz VRTKUBIPEUIENN-LPEHRKFASA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573731325 948589718 /nfs/dbraw/zinc/58/97/18/948589718.db2.gz VRTKUBIPEUIENN-GUBZILKMSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573731326 948588907 /nfs/dbraw/zinc/58/89/07/948588907.db2.gz VRTKUBIPEUIENN-OPRDCNLKSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1cnn(C)c1 ZINC001573741526 948655211 /nfs/dbraw/zinc/65/52/11/948655211.db2.gz YEAIGUWWYJLBSG-JLLWLGSASA-N 0 1 384.404 -1.140 20 0 GAADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1cnn(C)c1 ZINC001573741528 948656360 /nfs/dbraw/zinc/65/63/60/948656360.db2.gz YEAIGUWWYJLBSG-WCQGTBRESA-N 0 1 384.404 -1.140 20 0 GAADMN C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573746402 948680967 /nfs/dbraw/zinc/68/09/67/948680967.db2.gz JSAZPEGSFULZDD-GUBZILKMSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573746405 948681115 /nfs/dbraw/zinc/68/11/15/948681115.db2.gz JSAZPEGSFULZDD-OPRDCNLKSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)n1cnc(-c2nn[nH]n2)n1 ZINC001573754173 948738748 /nfs/dbraw/zinc/73/87/48/948738748.db2.gz CRKQNUHEHXEZAW-SECBINFHSA-N 0 1 386.380 -1.120 20 0 GAADMN C[C@@H](C(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1)n1cnc(-c2nn[nH]n2)n1 ZINC001573754174 948739862 /nfs/dbraw/zinc/73/98/62/948739862.db2.gz CRKQNUHEHXEZAW-VIFPVBQESA-N 0 1 386.380 -1.120 20 0 GAADMN C[C@@H](C(N)=O)N1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754271 948739789 /nfs/dbraw/zinc/73/97/89/948739789.db2.gz DJJXVQFRQROIAW-AAEUAGOBSA-N 0 1 387.448 -1.099 20 0 GAADMN C[C@H](C(N)=O)N1CC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754273 948739123 /nfs/dbraw/zinc/73/91/23/948739123.db2.gz DJJXVQFRQROIAW-DGCLKSJQSA-N 0 1 387.448 -1.099 20 0 GAADMN C[C@@H](C(N)=O)N1CC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754275 948739416 /nfs/dbraw/zinc/73/94/16/948739416.db2.gz DJJXVQFRQROIAW-WCQYABFASA-N 0 1 387.448 -1.099 20 0 GAADMN C[C@H](C(N)=O)N1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754277 948740181 /nfs/dbraw/zinc/74/01/81/948740181.db2.gz DJJXVQFRQROIAW-YPMHNXCESA-N 0 1 387.448 -1.099 20 0 GAADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)S(C)(=O)=O ZINC001573755441 948766455 /nfs/dbraw/zinc/76/64/55/948766455.db2.gz DUZDEEASIFXGSC-REIXXSIJSA-N 0 1 378.418 -1.359 20 0 GAADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)S(C)(=O)=O ZINC001573755542 948770295 /nfs/dbraw/zinc/77/02/95/948770295.db2.gz DUZDEEASIFXGSC-WYOJIJJFSA-N 0 1 378.418 -1.359 20 0 GAADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573765840 948925724 /nfs/dbraw/zinc/92/57/24/948925724.db2.gz MKRWSSMCYDGZRA-SECBINFHSA-N 0 1 380.434 -1.085 20 0 GAADMN CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573765841 948927076 /nfs/dbraw/zinc/92/70/76/948927076.db2.gz MKRWSSMCYDGZRA-VIFPVBQESA-N 0 1 380.434 -1.085 20 0 GAADMN CC(C)(C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)N1CCOCC1 ZINC001573773720 948992653 /nfs/dbraw/zinc/99/26/53/948992653.db2.gz FSMJEPJOKCGZDJ-LLVKDONJSA-N 0 1 391.436 -1.922 20 0 GAADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)N1CCOCC1 ZINC001573773721 948994172 /nfs/dbraw/zinc/99/41/72/948994172.db2.gz FSMJEPJOKCGZDJ-NSHDSACASA-N 0 1 391.436 -1.922 20 0 GAADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573774332 949009117 /nfs/dbraw/zinc/00/91/17/949009117.db2.gz MVAWXEFYKAKUGS-SECBINFHSA-N 0 1 383.434 -1.604 20 0 GAADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573774334 949008136 /nfs/dbraw/zinc/00/81/36/949008136.db2.gz MVAWXEFYKAKUGS-VIFPVBQESA-N 0 1 383.434 -1.604 20 0 GAADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001573774542 949012687 /nfs/dbraw/zinc/01/26/87/949012687.db2.gz UXTYHBCJHSXSCL-LLVKDONJSA-N 0 1 375.437 -1.158 20 0 GAADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001573774543 949013590 /nfs/dbraw/zinc/01/35/90/949013590.db2.gz UXTYHBCJHSXSCL-NSHDSACASA-N 0 1 375.437 -1.158 20 0 GAADMN CC(C)(C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573774990 949026176 /nfs/dbraw/zinc/02/61/76/949026176.db2.gz RBLOEIYAEHNCIA-SECBINFHSA-N 0 1 383.434 -1.604 20 0 GAADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573774991 949025834 /nfs/dbraw/zinc/02/58/34/949025834.db2.gz RBLOEIYAEHNCIA-VIFPVBQESA-N 0 1 383.434 -1.604 20 0 GAADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)N1CCOCC1 ZINC001573775032 949031556 /nfs/dbraw/zinc/03/15/56/949031556.db2.gz SFMKLLXJQFKOEA-GFCCVEGCSA-N 0 1 390.448 -1.317 20 0 GAADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)N1CCOCC1 ZINC001573775033 949032458 /nfs/dbraw/zinc/03/24/58/949032458.db2.gz SFMKLLXJQFKOEA-LBPRGKRZSA-N 0 1 390.448 -1.317 20 0 GAADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)S(C)(=O)=O ZINC001573775457 949041928 /nfs/dbraw/zinc/04/19/28/949041928.db2.gz WXTUEFUUWFKEGS-UHFFFAOYSA-N 0 1 380.434 -1.038 20 0 GAADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573786799 949151654 /nfs/dbraw/zinc/15/16/54/949151654.db2.gz BUXWBCIKWACEQE-DTORHVGOSA-N 0 1 380.434 -1.039 20 0 GAADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001573786800 949148921 /nfs/dbraw/zinc/14/89/21/949148921.db2.gz BUXWBCIKWACEQE-KYZUINATSA-N 0 1 380.434 -1.039 20 0 GAADMN CC(C)(C(N)=O)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573788764 949214390 /nfs/dbraw/zinc/21/43/90/949214390.db2.gz WTKZTQKYCYAGDG-SECBINFHSA-N 0 1 375.393 -1.510 20 0 GAADMN CC(C)(C(N)=O)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573788765 949215677 /nfs/dbraw/zinc/21/56/77/949215677.db2.gz WTKZTQKYCYAGDG-VIFPVBQESA-N 0 1 375.393 -1.510 20 0 GAADMN CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573799349 949368108 /nfs/dbraw/zinc/36/81/08/949368108.db2.gz LPOIJYJQLHFJAA-UHFFFAOYSA-N 0 1 391.436 -1.526 20 0 GAADMN CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573801510 949400597 /nfs/dbraw/zinc/40/05/97/949400597.db2.gz ASOQZVBRBRXNDF-JTQLQIEISA-N 0 1 376.421 -1.265 20 0 GAADMN CC(C)(C)C(=O)NCC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573801515 949400656 /nfs/dbraw/zinc/40/06/56/949400656.db2.gz ASOQZVBRBRXNDF-SNVBAGLBSA-N 0 1 376.421 -1.265 20 0 GAADMN CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001573802143 949413549 /nfs/dbraw/zinc/41/35/49/949413549.db2.gz DVCMHAUIOAZKAA-NXEZZACHSA-N 0 1 389.420 -1.515 20 0 GAADMN CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001573802144 949412385 /nfs/dbraw/zinc/41/23/85/949412385.db2.gz DVCMHAUIOAZKAA-ZJUUUORDSA-N 0 1 389.420 -1.515 20 0 GAADMN CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001573804520 949469845 /nfs/dbraw/zinc/46/98/45/949469845.db2.gz WVYHUUJKKCOHOV-JTQLQIEISA-N 0 1 376.421 -1.265 20 0 GAADMN CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001573804528 949471227 /nfs/dbraw/zinc/47/12/27/949471227.db2.gz WVYHUUJKKCOHOV-SNVBAGLBSA-N 0 1 376.421 -1.265 20 0 GAADMN CC(C)(C)NS(=O)(=O)C1(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001573850403 950274083 /nfs/dbraw/zinc/27/40/83/950274083.db2.gz JQDUBXCRYRMDDY-UHFFFAOYSA-N 0 1 383.438 -1.175 20 0 GAADMN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](O)C1 ZINC001573852390 950305097 /nfs/dbraw/zinc/30/50/97/950305097.db2.gz GQKJYIOUVRRFFV-NXEZZACHSA-N 0 1 393.408 -1.055 20 0 GAADMN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](O)C1 ZINC001573852391 950310040 /nfs/dbraw/zinc/31/00/40/950310040.db2.gz GQKJYIOUVRRFFV-UWVGGRQHSA-N 0 1 393.408 -1.055 20 0 GAADMN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](O)C1 ZINC001573852392 950309020 /nfs/dbraw/zinc/30/90/20/950309020.db2.gz GQKJYIOUVRRFFV-VHSXEESVSA-N 0 1 393.408 -1.055 20 0 GAADMN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](O)C1 ZINC001573852393 950308452 /nfs/dbraw/zinc/30/84/52/950308452.db2.gz GQKJYIOUVRRFFV-ZJUUUORDSA-N 0 1 393.408 -1.055 20 0 GAADMN CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2cc(-c3nn[nH]n3)nn2)CC1 ZINC001573855330 950367304 /nfs/dbraw/zinc/36/73/04/950367304.db2.gz QSTWZUDUVPNHEP-UHFFFAOYSA-N 0 1 376.425 -1.483 20 0 GAADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC001573856492 950384840 /nfs/dbraw/zinc/38/48/40/950384840.db2.gz APOGROZKAJALBS-RKDXNWHRSA-N 0 1 379.381 -1.445 20 0 GAADMN CC(C)(C)n1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 ZINC001573894019 950919947 /nfs/dbraw/zinc/91/99/47/950919947.db2.gz JAHHVRAUTRHCJT-MWLCHTKSSA-N 0 1 399.419 -1.017 20 0 GAADMN COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1=O ZINC001574149754 962645643 /nfs/dbraw/zinc/64/56/43/962645643.db2.gz LTCZJZPCTFVNGH-OLZOCXBDSA-N 0 1 392.478 -1.451 20 0 GAADMN COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1=O ZINC001574149778 962645705 /nfs/dbraw/zinc/64/57/05/962645705.db2.gz LTCZJZPCTFVNGH-STQMWFEESA-N 0 1 392.478 -1.451 20 0 GAADMN CC(C)c1nnnn1CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574434012 948973673 /nfs/dbraw/zinc/97/36/73/948973673.db2.gz CNLJJKKHAFIMJV-UHFFFAOYSA-N 0 1 384.408 -1.051 20 0 GAADMN CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574434256 948976402 /nfs/dbraw/zinc/97/64/02/948976402.db2.gz FKRDBPHATCNRJG-JTQLQIEISA-N 0 1 384.408 -1.099 20 0 GAADMN CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574434257 948977640 /nfs/dbraw/zinc/97/76/40/948977640.db2.gz FKRDBPHATCNRJG-SNVBAGLBSA-N 0 1 384.408 -1.099 20 0 GAADMN CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574439138 949003868 /nfs/dbraw/zinc/00/38/68/949003868.db2.gz AQYCUDAWBVAFPZ-AOOOYVTPSA-N 0 1 384.408 -1.052 20 0 GAADMN CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574439140 949002991 /nfs/dbraw/zinc/00/29/91/949002991.db2.gz AQYCUDAWBVAFPZ-MGCOHNPYSA-N 0 1 384.408 -1.052 20 0 GAADMN CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574459621 949362509 /nfs/dbraw/zinc/36/25/09/949362509.db2.gz KAHVPEOIPSRMSS-GFCCVEGCSA-N 0 1 386.420 -1.012 20 0 GAADMN CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574459622 949361733 /nfs/dbraw/zinc/36/17/33/949361733.db2.gz KAHVPEOIPSRMSS-LBPRGKRZSA-N 0 1 386.420 -1.012 20 0 GAADMN C[C@H](CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574476897 949624959 /nfs/dbraw/zinc/62/49/59/949624959.db2.gz LPMWZLSGSXIUHE-GHMZBOCLSA-N 0 1 391.436 -1.036 20 0 GAADMN C[C@H](CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574476898 949624443 /nfs/dbraw/zinc/62/44/43/949624443.db2.gz LPMWZLSGSXIUHE-MNOVXSKESA-N 0 1 391.436 -1.036 20 0 GAADMN C[C@@H](CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574476899 949625178 /nfs/dbraw/zinc/62/51/78/949625178.db2.gz LPMWZLSGSXIUHE-QWRGUYRKSA-N 0 1 391.436 -1.036 20 0 GAADMN C[C@@H](CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574476901 949626207 /nfs/dbraw/zinc/62/62/07/949626207.db2.gz LPMWZLSGSXIUHE-WDEREUQCSA-N 0 1 391.436 -1.036 20 0 GAADMN C[C@H](CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574483525 949824383 /nfs/dbraw/zinc/82/43/83/949824383.db2.gz BUAFVMISCQEGBI-GHMZBOCLSA-N 0 1 389.420 -1.230 20 0 GAADMN C[C@H](CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574483526 949826148 /nfs/dbraw/zinc/82/61/48/949826148.db2.gz BUAFVMISCQEGBI-MNOVXSKESA-N 0 1 389.420 -1.230 20 0 GAADMN C[C@@H](CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574483527 949824977 /nfs/dbraw/zinc/82/49/77/949824977.db2.gz BUAFVMISCQEGBI-QWRGUYRKSA-N 0 1 389.420 -1.230 20 0 GAADMN C[C@@H](CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574483528 949826322 /nfs/dbraw/zinc/82/63/22/949826322.db2.gz BUAFVMISCQEGBI-WDEREUQCSA-N 0 1 389.420 -1.230 20 0 GAADMN C[C@@H](CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)NC(N)=O ZINC001574488963 949959283 /nfs/dbraw/zinc/95/92/83/949959283.db2.gz HVENUQKDPZVIHJ-GARJFASQSA-N 0 1 386.420 -1.002 20 0 GAADMN C[C@H](CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)NC(N)=O ZINC001574488965 949960425 /nfs/dbraw/zinc/96/04/25/949960425.db2.gz HVENUQKDPZVIHJ-MXWKQRLJSA-N 0 1 386.420 -1.002 20 0 GAADMN C[C@@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574496168 950211689 /nfs/dbraw/zinc/21/16/89/950211689.db2.gz VYZYCWKIEMWITK-CMPLNLGQSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574496174 950211097 /nfs/dbraw/zinc/21/10/97/950211097.db2.gz VYZYCWKIEMWITK-JQWIXIFHSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574496440 950214000 /nfs/dbraw/zinc/21/40/00/950214000.db2.gz VYZYCWKIEMWITK-PWSUYJOCSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574496441 950213619 /nfs/dbraw/zinc/21/36/19/950213619.db2.gz VYZYCWKIEMWITK-ZYHUDNBSSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)NC(N)=O ZINC001574498167 950267394 /nfs/dbraw/zinc/26/73/94/950267394.db2.gz KPPVWJQNPHCXMI-DBIOUOCHSA-N 0 1 386.420 -1.098 20 0 GAADMN C[C@@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)NC(N)=O ZINC001574498170 950265530 /nfs/dbraw/zinc/26/55/30/950265530.db2.gz KPPVWJQNPHCXMI-XWLWVQCSSA-N 0 1 386.420 -1.098 20 0 GAADMN C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574498703 950285746 /nfs/dbraw/zinc/28/57/46/950285746.db2.gz PTQRCDMMJCZYCW-CMPLNLGQSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574498704 950285244 /nfs/dbraw/zinc/28/52/44/950285244.db2.gz PTQRCDMMJCZYCW-JQWIXIFHSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574498705 950284075 /nfs/dbraw/zinc/28/40/75/950284075.db2.gz PTQRCDMMJCZYCW-PWSUYJOCSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574498706 950286374 /nfs/dbraw/zinc/28/63/74/950286374.db2.gz PTQRCDMMJCZYCW-ZYHUDNBSSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@@H](CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)NC(N)=O ZINC001574511567 950564006 /nfs/dbraw/zinc/56/40/06/950564006.db2.gz MEMPMSXEMUDQCF-GDLCADMTSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)NC(N)=O ZINC001574511568 950567772 /nfs/dbraw/zinc/56/77/72/950567772.db2.gz MEMPMSXEMUDQCF-HONMWMINSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)NC(N)=O ZINC001574511569 950567364 /nfs/dbraw/zinc/56/73/64/950567364.db2.gz MEMPMSXEMUDQCF-LERXQTSPSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@@H](CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)NC(N)=O ZINC001574511570 950566684 /nfs/dbraw/zinc/56/66/84/950566684.db2.gz MEMPMSXEMUDQCF-ZLKJLUDKSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@@H](CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O)NC(N)=O ZINC001574511641 950572770 /nfs/dbraw/zinc/57/27/70/950572770.db2.gz PUSMTKSBAZDLIF-GDLCADMTSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O)NC(N)=O ZINC001574511642 950568456 /nfs/dbraw/zinc/56/84/56/950568456.db2.gz PUSMTKSBAZDLIF-HONMWMINSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O)NC(N)=O ZINC001574511643 950570441 /nfs/dbraw/zinc/57/04/41/950570441.db2.gz PUSMTKSBAZDLIF-LERXQTSPSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@@H](CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O)NC(N)=O ZINC001574511644 950571653 /nfs/dbraw/zinc/57/16/53/950571653.db2.gz PUSMTKSBAZDLIF-ZLKJLUDKSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@@H](CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)NC(N)=O ZINC001574511890 950573830 /nfs/dbraw/zinc/57/38/30/950573830.db2.gz UYINEEPTNISHQY-GDLCADMTSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)NC(N)=O ZINC001574511891 950576270 /nfs/dbraw/zinc/57/62/70/950576270.db2.gz UYINEEPTNISHQY-HONMWMINSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)NC(N)=O ZINC001574511892 950575302 /nfs/dbraw/zinc/57/53/02/950575302.db2.gz UYINEEPTNISHQY-LERXQTSPSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@@H](CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)NC(N)=O ZINC001574511893 950575706 /nfs/dbraw/zinc/57/57/06/950575706.db2.gz UYINEEPTNISHQY-ZLKJLUDKSA-N 0 1 388.432 -1.025 20 0 GAADMN C[C@H](CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574699723 949245847 /nfs/dbraw/zinc/24/58/47/949245847.db2.gz WASVLTTXZIHABR-NXEZZACHSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574699724 949242987 /nfs/dbraw/zinc/24/29/87/949242987.db2.gz WASVLTTXZIHABR-UWVGGRQHSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574699725 949242238 /nfs/dbraw/zinc/24/22/38/949242238.db2.gz WASVLTTXZIHABR-VHSXEESVSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574699726 949242692 /nfs/dbraw/zinc/24/26/92/949242692.db2.gz WASVLTTXZIHABR-ZJUUUORDSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574700348 949257787 /nfs/dbraw/zinc/25/77/87/949257787.db2.gz ZTPGWXGUISBSLT-BDAKNGLRSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574700349 949258974 /nfs/dbraw/zinc/25/89/74/949258974.db2.gz ZTPGWXGUISBSLT-DTWKUNHWSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574700350 949257892 /nfs/dbraw/zinc/25/78/92/949257892.db2.gz ZTPGWXGUISBSLT-IUCAKERBSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@H](CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574700351 949259679 /nfs/dbraw/zinc/25/96/79/949259679.db2.gz ZTPGWXGUISBSLT-RKDXNWHRSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574706210 949450483 /nfs/dbraw/zinc/45/04/83/949450483.db2.gz LNFCJJIOLHJHAW-NXEZZACHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574706212 949450002 /nfs/dbraw/zinc/45/00/02/949450002.db2.gz LNFCJJIOLHJHAW-UWVGGRQHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574706214 949450627 /nfs/dbraw/zinc/45/06/27/949450627.db2.gz LNFCJJIOLHJHAW-VHSXEESVSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574706216 949449706 /nfs/dbraw/zinc/44/97/06/949449706.db2.gz LNFCJJIOLHJHAW-ZJUUUORDSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574710703 949511280 /nfs/dbraw/zinc/51/12/80/949511280.db2.gz AFBNMECGSGOIKH-NXEZZACHSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574710704 949512461 /nfs/dbraw/zinc/51/24/61/949512461.db2.gz AFBNMECGSGOIKH-UWVGGRQHSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574710705 949514092 /nfs/dbraw/zinc/51/40/92/949514092.db2.gz AFBNMECGSGOIKH-VHSXEESVSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574710706 949513859 /nfs/dbraw/zinc/51/38/59/949513859.db2.gz AFBNMECGSGOIKH-ZJUUUORDSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712932 949594087 /nfs/dbraw/zinc/59/40/87/949594087.db2.gz VJBTXYRNDQLYPD-BDAKNGLRSA-N 0 1 381.422 -1.971 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712933 949596263 /nfs/dbraw/zinc/59/62/63/949596263.db2.gz VJBTXYRNDQLYPD-DTWKUNHWSA-N 0 1 381.422 -1.971 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712934 949592576 /nfs/dbraw/zinc/59/25/76/949592576.db2.gz VJBTXYRNDQLYPD-IUCAKERBSA-N 0 1 381.422 -1.971 20 0 GAADMN C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712935 949594822 /nfs/dbraw/zinc/59/48/22/949594822.db2.gz VJBTXYRNDQLYPD-RKDXNWHRSA-N 0 1 381.422 -1.971 20 0 GAADMN C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574713479 949603284 /nfs/dbraw/zinc/60/32/84/949603284.db2.gz XPYBQMLFJLOXRQ-BXKDBHETSA-N 0 1 380.434 -1.366 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574713481 949606113 /nfs/dbraw/zinc/60/61/13/949606113.db2.gz XPYBQMLFJLOXRQ-CABZTGNLSA-N 0 1 380.434 -1.366 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574713483 949606358 /nfs/dbraw/zinc/60/63/58/949606358.db2.gz XPYBQMLFJLOXRQ-JOYOIKCWSA-N 0 1 380.434 -1.366 20 0 GAADMN C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574713486 949602871 /nfs/dbraw/zinc/60/28/71/949602871.db2.gz XPYBQMLFJLOXRQ-SKDRFNHKSA-N 0 1 380.434 -1.366 20 0 GAADMN C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715122 949642546 /nfs/dbraw/zinc/64/25/46/949642546.db2.gz BJAMUCFAEVNYMH-SECBINFHSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715123 949643736 /nfs/dbraw/zinc/64/37/36/949643736.db2.gz BJAMUCFAEVNYMH-VIFPVBQESA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720556 949795954 /nfs/dbraw/zinc/79/59/54/949795954.db2.gz CIZYHSWXRWDARL-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720557 949794825 /nfs/dbraw/zinc/79/48/25/949794825.db2.gz CIZYHSWXRWDARL-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574721211 949814665 /nfs/dbraw/zinc/81/46/65/949814665.db2.gz LBAWNJMFSPNMIR-JTQLQIEISA-N 0 1 382.450 -1.118 20 0 GAADMN C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574721212 949815753 /nfs/dbraw/zinc/81/57/53/949815753.db2.gz LBAWNJMFSPNMIR-SNVBAGLBSA-N 0 1 382.450 -1.118 20 0 GAADMN C[C@@H](CN(C)C(=O)CCN1C(=O)CCC1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574721443 949817866 /nfs/dbraw/zinc/81/78/66/949817866.db2.gz LNYIOZYYHIQZGJ-JTQLQIEISA-N 0 1 387.404 -1.124 20 0 GAADMN C[C@H](CN(C)C(=O)CCN1C(=O)CCC1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574721444 949816876 /nfs/dbraw/zinc/81/68/76/949816876.db2.gz LNYIOZYYHIQZGJ-SNVBAGLBSA-N 0 1 387.404 -1.124 20 0 GAADMN O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1=O ZINC001574723260 962792412 /nfs/dbraw/zinc/79/24/12/962792412.db2.gz DIOSIIKZODXBGG-PMUMKWKESA-N 0 1 398.460 -1.023 20 0 GAADMN O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1=O ZINC001574723261 962792730 /nfs/dbraw/zinc/79/27/30/962792730.db2.gz DIOSIIKZODXBGG-SUNYJGFJSA-N 0 1 398.460 -1.023 20 0 GAADMN C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574723938 949862233 /nfs/dbraw/zinc/86/22/33/949862233.db2.gz CDYUEWQFROHSCE-LLVKDONJSA-N 0 1 384.404 -1.016 20 0 GAADMN C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574723939 949859753 /nfs/dbraw/zinc/85/97/53/949859753.db2.gz CDYUEWQFROHSCE-NSHDSACASA-N 0 1 384.404 -1.016 20 0 GAADMN C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574724005 949859884 /nfs/dbraw/zinc/85/98/84/949859884.db2.gz DTJOXCDDVVTRPH-LLVKDONJSA-N 0 1 386.420 -1.072 20 0 GAADMN C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574724007 949860745 /nfs/dbraw/zinc/86/07/45/949860745.db2.gz DTJOXCDDVVTRPH-NSHDSACASA-N 0 1 386.420 -1.072 20 0 GAADMN C[C@H](CN(C)C(=O)CN(C)S(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574724302 949873311 /nfs/dbraw/zinc/87/33/11/949873311.db2.gz GSTLFUILDZJFFR-SECBINFHSA-N 0 1 383.438 -1.771 20 0 GAADMN C[C@@H](CN(C)C(=O)CN(C)S(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574724303 949873182 /nfs/dbraw/zinc/87/31/82/949873182.db2.gz GSTLFUILDZJFFR-VIFPVBQESA-N 0 1 383.438 -1.771 20 0 GAADMN C[C@H](CN(C)C(=O)CN1C(=O)CN(C)C1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574724636 949880647 /nfs/dbraw/zinc/88/06/47/949880647.db2.gz ILWPEGIDOZDBJJ-SECBINFHSA-N 0 1 388.392 -1.769 20 0 GAADMN C[C@@H](CN(C)C(=O)CN1C(=O)CN(C)C1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574724637 949876552 /nfs/dbraw/zinc/87/65/52/949876552.db2.gz ILWPEGIDOZDBJJ-VIFPVBQESA-N 0 1 388.392 -1.769 20 0 GAADMN C[C@@H](CN(C)C(=O)CN1CCC(=O)NC1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574724670 949876427 /nfs/dbraw/zinc/87/64/27/949876427.db2.gz IWDZCYRVWXLVLV-JTQLQIEISA-N 0 1 387.404 -1.116 20 0 GAADMN C[C@H](CN(C)C(=O)CN1CCC(=O)NC1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574724673 949876259 /nfs/dbraw/zinc/87/62/59/949876259.db2.gz IWDZCYRVWXLVLV-SNVBAGLBSA-N 0 1 387.404 -1.116 20 0 GAADMN C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574725317 949897632 /nfs/dbraw/zinc/89/76/32/949897632.db2.gz RMKJSMURHSBEGP-JTQLQIEISA-N 0 1 387.408 -1.677 20 0 GAADMN C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574725320 949898601 /nfs/dbraw/zinc/89/86/01/949898601.db2.gz RMKJSMURHSBEGP-SNVBAGLBSA-N 0 1 387.408 -1.677 20 0 GAADMN C[C@H](CN(C)C(=O)CS(=O)(=O)N(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574725706 949910240 /nfs/dbraw/zinc/91/02/40/949910240.db2.gz BIVKMVSSZSWRGH-SECBINFHSA-N 0 1 383.438 -1.771 20 0 GAADMN C[C@@H](CN(C)C(=O)CS(=O)(=O)N(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574725707 949909950 /nfs/dbraw/zinc/90/99/50/949909950.db2.gz BIVKMVSSZSWRGH-VIFPVBQESA-N 0 1 383.438 -1.771 20 0 GAADMN C[C@H](CN(C)C(=O)CN1CCC(=O)NC1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574725875 949915152 /nfs/dbraw/zinc/91/51/52/949915152.db2.gz VNAHIMBFFNYNCZ-SECBINFHSA-N 0 1 388.392 -1.721 20 0 GAADMN C[C@@H](CN(C)C(=O)CN1CCC(=O)NC1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574725884 949912716 /nfs/dbraw/zinc/91/27/16/949912716.db2.gz VNAHIMBFFNYNCZ-VIFPVBQESA-N 0 1 388.392 -1.721 20 0 GAADMN C[C@@H](CN(C)C(=O)CN(C)S(C)(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574726293 949934487 /nfs/dbraw/zinc/93/44/87/949934487.db2.gz YRWSOWOFSLSXBU-JTQLQIEISA-N 0 1 382.450 -1.166 20 0 GAADMN C[C@H](CN(C)C(=O)CN(C)S(C)(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574726296 949935188 /nfs/dbraw/zinc/93/51/88/949935188.db2.gz YRWSOWOFSLSXBU-SNVBAGLBSA-N 0 1 382.450 -1.166 20 0 GAADMN C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574726605 949942905 /nfs/dbraw/zinc/94/29/05/949942905.db2.gz KXBYBUNCJJIQNZ-JTQLQIEISA-N 0 1 387.408 -1.317 20 0 GAADMN C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574726607 949946113 /nfs/dbraw/zinc/94/61/13/949946113.db2.gz KXBYBUNCJJIQNZ-SNVBAGLBSA-N 0 1 387.408 -1.317 20 0 GAADMN C[C@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727042 949949077 /nfs/dbraw/zinc/94/90/77/949949077.db2.gz OAOKRLXNNCAEGT-GFCCVEGCSA-N 0 1 387.448 -1.284 20 0 GAADMN C[C@@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727043 949948744 /nfs/dbraw/zinc/94/87/44/949948744.db2.gz OAOKRLXNNCAEGT-LBPRGKRZSA-N 0 1 387.448 -1.284 20 0 GAADMN C[C@@H](CN(C)C(=O)CS(=O)(=O)N(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574727606 949976174 /nfs/dbraw/zinc/97/61/74/949976174.db2.gz VXAIEHMESUEOLK-JTQLQIEISA-N 0 1 382.450 -1.166 20 0 GAADMN C[C@H](CN(C)C(=O)CS(=O)(=O)N(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574727607 949976698 /nfs/dbraw/zinc/97/66/98/949976698.db2.gz VXAIEHMESUEOLK-SNVBAGLBSA-N 0 1 382.450 -1.166 20 0 GAADMN C[C@@H](CN(C)C(=O)CN1CCOCC1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574727680 949981397 /nfs/dbraw/zinc/98/13/97/949981397.db2.gz XESYXQDSWXZLJE-JTQLQIEISA-N 0 1 375.393 -1.804 20 0 GAADMN C[C@H](CN(C)C(=O)CN1CCOCC1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574727681 949980550 /nfs/dbraw/zinc/98/05/50/949980550.db2.gz XESYXQDSWXZLJE-SNVBAGLBSA-N 0 1 375.393 -1.804 20 0 GAADMN C[C@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574727726 949978624 /nfs/dbraw/zinc/97/86/24/949978624.db2.gz YLXUSVDDHDYLNJ-LLVKDONJSA-N 0 1 388.436 -1.889 20 0 GAADMN C[C@@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574727727 949981029 /nfs/dbraw/zinc/98/10/29/949981029.db2.gz YLXUSVDDHDYLNJ-NSHDSACASA-N 0 1 388.436 -1.889 20 0 GAADMN C[C@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574731301 950047349 /nfs/dbraw/zinc/04/73/49/950047349.db2.gz CNZVSYUSXNOVIU-SECBINFHSA-N 0 1 386.376 -1.700 20 0 GAADMN C[C@@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574731307 950049007 /nfs/dbraw/zinc/04/90/07/950049007.db2.gz CNZVSYUSXNOVIU-VIFPVBQESA-N 0 1 386.376 -1.700 20 0 GAADMN C[C@@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574733210 950102644 /nfs/dbraw/zinc/10/26/44/950102644.db2.gz VSLQKBXZYLJQDO-JTQLQIEISA-N 0 1 385.388 -1.095 20 0 GAADMN C[C@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574733211 950101640 /nfs/dbraw/zinc/10/16/40/950101640.db2.gz VSLQKBXZYLJQDO-SNVBAGLBSA-N 0 1 385.388 -1.095 20 0 GAADMN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574744584 950359605 /nfs/dbraw/zinc/35/96/05/950359605.db2.gz ZMFYCKOCMVCONW-KXUCPTDWSA-N 0 1 375.393 -1.630 20 0 GAADMN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574744585 950359466 /nfs/dbraw/zinc/35/94/66/950359466.db2.gz ZMFYCKOCMVCONW-LPEHRKFASA-N 0 1 375.393 -1.630 20 0 GAADMN C[C@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574918847 948864976 /nfs/dbraw/zinc/86/49/76/948864976.db2.gz RRTLRVKKWYAHFH-JTQLQIEISA-N 0 1 382.450 -1.084 20 0 GAADMN C[C@@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574918848 948865861 /nfs/dbraw/zinc/86/58/61/948865861.db2.gz RRTLRVKKWYAHFH-SNVBAGLBSA-N 0 1 382.450 -1.084 20 0 GAADMN C[C@@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574922999 948933166 /nfs/dbraw/zinc/93/31/66/948933166.db2.gz AXAOMUMCGYAKIB-LLVKDONJSA-N 0 1 386.420 -1.167 20 0 GAADMN C[C@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574923000 948931366 /nfs/dbraw/zinc/93/13/66/948931366.db2.gz AXAOMUMCGYAKIB-NSHDSACASA-N 0 1 386.420 -1.167 20 0 GAADMN C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574923081 948934750 /nfs/dbraw/zinc/93/47/50/948934750.db2.gz CSDYIFSVFOJLRW-JTQLQIEISA-N 0 1 387.408 -1.417 20 0 GAADMN C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574923082 948935329 /nfs/dbraw/zinc/93/53/29/948935329.db2.gz CSDYIFSVFOJLRW-SNVBAGLBSA-N 0 1 387.408 -1.417 20 0 GAADMN C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574923223 948938764 /nfs/dbraw/zinc/93/87/64/948938764.db2.gz HUHXPCUXKAANSV-LLVKDONJSA-N 0 1 384.404 -1.110 20 0 GAADMN C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574923224 948939614 /nfs/dbraw/zinc/93/96/14/948939614.db2.gz HUHXPCUXKAANSV-NSHDSACASA-N 0 1 384.404 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948988070 /nfs/dbraw/zinc/98/80/70/948988070.db2.gz IOMRZRXKDVMIMS-SNVBAGLBSA-N 0 1 387.404 -1.258 20 0 GAADMN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574926276 948993653 /nfs/dbraw/zinc/99/36/53/948993653.db2.gz MKEMLMUWZHPMGC-JTQLQIEISA-N 0 1 387.404 -1.210 20 0 GAADMN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574926277 948993290 /nfs/dbraw/zinc/99/32/90/948993290.db2.gz MKEMLMUWZHPMGC-SNVBAGLBSA-N 0 1 387.404 -1.210 20 0 GAADMN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574926328 948993740 /nfs/dbraw/zinc/99/37/40/948993740.db2.gz NSAWFOXAOGSRQZ-SECBINFHSA-N 0 1 388.392 -1.461 20 0 GAADMN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574926329 948995009 /nfs/dbraw/zinc/99/50/09/948995009.db2.gz NSAWFOXAOGSRQZ-VIFPVBQESA-N 0 1 388.392 -1.461 20 0 GAADMN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574926360 948997392 /nfs/dbraw/zinc/99/73/92/948997392.db2.gz OKJJTVSPXWTPDO-SECBINFHSA-N 0 1 383.438 -1.866 20 0 GAADMN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574926361 948999565 /nfs/dbraw/zinc/99/95/65/948999565.db2.gz OKJJTVSPXWTPDO-VIFPVBQESA-N 0 1 383.438 -1.866 20 0 GAADMN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574926854 949025284 /nfs/dbraw/zinc/02/52/84/949025284.db2.gz YYWFQFVCDYXRNW-SECBINFHSA-N 0 1 383.438 -1.511 20 0 GAADMN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574926855 949024206 /nfs/dbraw/zinc/02/42/06/949024206.db2.gz YYWFQFVCDYXRNW-VIFPVBQESA-N 0 1 383.438 -1.511 20 0 GAADMN C[C@@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574926928 949032596 /nfs/dbraw/zinc/03/25/96/949032596.db2.gz DCDRERGTKVCKOG-JTQLQIEISA-N 0 1 380.434 -1.364 20 0 GAADMN C[C@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574926930 949031206 /nfs/dbraw/zinc/03/12/06/949031206.db2.gz DCDRERGTKVCKOG-SNVBAGLBSA-N 0 1 380.434 -1.364 20 0 GAADMN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ccncc1-c1nn[nH]n1 ZINC001574926998 949035742 /nfs/dbraw/zinc/03/57/42/949035742.db2.gz FMYPZRKXBDJCJY-GFCCVEGCSA-N 0 1 387.448 -1.378 20 0 GAADMN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ccncc1-c1nn[nH]n1 ZINC001574926999 949035527 /nfs/dbraw/zinc/03/55/27/949035527.db2.gz FMYPZRKXBDJCJY-LBPRGKRZSA-N 0 1 387.448 -1.378 20 0 GAADMN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574927150 949036555 /nfs/dbraw/zinc/03/65/55/949036555.db2.gz GEWPFLBKHDFCEN-LLVKDONJSA-N 0 1 388.436 -1.983 20 0 GAADMN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574927151 949037124 /nfs/dbraw/zinc/03/71/24/949037124.db2.gz GEWPFLBKHDFCEN-NSHDSACASA-N 0 1 388.436 -1.983 20 0 GAADMN C[C@@H](CNC(=O)CN1CCOCC1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574928250 949052963 /nfs/dbraw/zinc/05/29/63/949052963.db2.gz NQMXSKOHUXUKKX-JTQLQIEISA-N 0 1 375.393 -1.544 20 0 GAADMN C[C@H](CNC(=O)CN1CCOCC1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574928251 949053996 /nfs/dbraw/zinc/05/39/96/949053996.db2.gz NQMXSKOHUXUKKX-SNVBAGLBSA-N 0 1 375.393 -1.544 20 0 GAADMN C[C@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574928291 949053770 /nfs/dbraw/zinc/05/37/70/949053770.db2.gz OKNLUZQILXWASC-SECBINFHSA-N 0 1 381.422 -1.969 20 0 GAADMN C[C@@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574928292 949055240 /nfs/dbraw/zinc/05/52/40/949055240.db2.gz OKNLUZQILXWASC-VIFPVBQESA-N 0 1 381.422 -1.969 20 0 GAADMN C[C@H](CNC(=O)CN1CCOCC1=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574928933 949068479 /nfs/dbraw/zinc/06/84/79/949068479.db2.gz TWWUXHOEAMCQFN-JTQLQIEISA-N 0 1 375.393 -1.898 20 0 GAADMN C[C@@H](CNC(=O)CN1CCOCC1=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574928934 949068183 /nfs/dbraw/zinc/06/81/83/949068183.db2.gz TWWUXHOEAMCQFN-SNVBAGLBSA-N 0 1 375.393 -1.898 20 0 GAADMN C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574928949 949068929 /nfs/dbraw/zinc/06/89/29/949068929.db2.gz UGRQOJZNUWEGPN-JTQLQIEISA-N 0 1 378.462 -1.046 20 0 GAADMN C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574928949 949068909 /nfs/dbraw/zinc/06/89/09/949068909.db2.gz UGRQOJZNUWEGPN-JTQLQIEISA-N 0 1 378.462 -1.046 20 0 GAADMN C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574928950 949068422 /nfs/dbraw/zinc/06/84/22/949068422.db2.gz UGRQOJZNUWEGPN-SNVBAGLBSA-N 0 1 378.462 -1.046 20 0 GAADMN C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574928950 949068408 /nfs/dbraw/zinc/06/84/08/949068408.db2.gz UGRQOJZNUWEGPN-SNVBAGLBSA-N 0 1 378.462 -1.046 20 0 GAADMN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574928957 949067382 /nfs/dbraw/zinc/06/73/82/949067382.db2.gz UJNAKZOLKCSWRH-GFCCVEGCSA-N 0 1 387.448 -1.023 20 0 GAADMN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574928958 949070216 /nfs/dbraw/zinc/07/02/16/949070216.db2.gz UJNAKZOLKCSWRH-LBPRGKRZSA-N 0 1 387.448 -1.023 20 0 GAADMN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574929015 949073600 /nfs/dbraw/zinc/07/36/00/949073600.db2.gz VQMFVFGJUVUIGW-LLVKDONJSA-N 0 1 388.436 -1.628 20 0 GAADMN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574929016 949074198 /nfs/dbraw/zinc/07/41/98/949074198.db2.gz VQMFVFGJUVUIGW-NSHDSACASA-N 0 1 388.436 -1.628 20 0 GAADMN C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574929033 949074347 /nfs/dbraw/zinc/07/43/47/949074347.db2.gz WGNJCHWBUYIGOU-JTQLQIEISA-N 0 1 382.388 -1.180 20 0 GAADMN C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574929034 949073909 /nfs/dbraw/zinc/07/39/09/949073909.db2.gz WGNJCHWBUYIGOU-SNVBAGLBSA-N 0 1 382.388 -1.180 20 0 GAADMN C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574929083 949076087 /nfs/dbraw/zinc/07/60/87/949076087.db2.gz XQIPBSTYCSXCKG-JTQLQIEISA-N 0 1 382.388 -1.180 20 0 GAADMN C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574929084 949077265 /nfs/dbraw/zinc/07/72/65/949077265.db2.gz XQIPBSTYCSXCKG-SNVBAGLBSA-N 0 1 382.388 -1.180 20 0 GAADMN C[C@H](CNC(=O)COCc1nncn1C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574934120 949149795 /nfs/dbraw/zinc/14/97/95/949149795.db2.gz BYYIRBSCBSYEMR-JTQLQIEISA-N 0 1 387.408 -1.412 20 0 GAADMN C[C@@H](CNC(=O)COCc1nncn1C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574934121 949150379 /nfs/dbraw/zinc/15/03/79/949150379.db2.gz BYYIRBSCBSYEMR-SNVBAGLBSA-N 0 1 387.408 -1.412 20 0 GAADMN C[C@@H](CNC(=O)COCc1nncn1C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574934446 949159628 /nfs/dbraw/zinc/15/96/28/949159628.db2.gz IKYBZNVPOOJGEO-JTQLQIEISA-N 0 1 387.408 -1.057 20 0 GAADMN C[C@H](CNC(=O)COCc1nncn1C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574934447 949160927 /nfs/dbraw/zinc/16/09/27/949160927.db2.gz IKYBZNVPOOJGEO-SNVBAGLBSA-N 0 1 387.408 -1.057 20 0 GAADMN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574934732 949175559 /nfs/dbraw/zinc/17/55/59/949175559.db2.gz PMBZLCXLOWOCGE-SECBINFHSA-N 0 1 383.438 -1.511 20 0 GAADMN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574934733 949174230 /nfs/dbraw/zinc/17/42/30/949174230.db2.gz PMBZLCXLOWOCGE-VIFPVBQESA-N 0 1 383.438 -1.511 20 0 GAADMN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001574934834 949179205 /nfs/dbraw/zinc/17/92/05/949179205.db2.gz SCUMFQCWVIBTPG-JTQLQIEISA-N 0 1 382.450 -1.261 20 0 GAADMN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001574934835 949180269 /nfs/dbraw/zinc/18/02/69/949180269.db2.gz SCUMFQCWVIBTPG-SNVBAGLBSA-N 0 1 382.450 -1.261 20 0 GAADMN C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[NH+](C)CC1 ZINC001574944577 949399326 /nfs/dbraw/zinc/39/93/26/949399326.db2.gz FRWPISUSJPNFQJ-JTQLQIEISA-N 0 1 377.409 -2.119 20 0 GAADMN C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[NH+](C)CC1 ZINC001574944578 949397362 /nfs/dbraw/zinc/39/73/62/949397362.db2.gz FRWPISUSJPNFQJ-SNVBAGLBSA-N 0 1 377.409 -2.119 20 0 GAADMN C[C@@H](CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C[NH+]1CCOCC1 ZINC001574945043 949404614 /nfs/dbraw/zinc/40/46/14/949404614.db2.gz JIBKUUWCCXEUPX-JTQLQIEISA-N 0 1 378.393 -1.787 20 0 GAADMN C[C@H](CNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)C[NH+]1CCOCC1 ZINC001574945044 949408005 /nfs/dbraw/zinc/40/80/05/949408005.db2.gz JIBKUUWCCXEUPX-SNVBAGLBSA-N 0 1 378.393 -1.787 20 0 GAADMN C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C[NH+]1CCN(C)CC1 ZINC001574945525 949410336 /nfs/dbraw/zinc/41/03/36/949410336.db2.gz LNPAZHFJEMTJQB-LLVKDONJSA-N 0 1 391.436 -1.871 20 0 GAADMN C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C[NH+]1CCN(C)CC1 ZINC001574945526 949416732 /nfs/dbraw/zinc/41/67/32/949416732.db2.gz LNPAZHFJEMTJQB-NSHDSACASA-N 0 1 391.436 -1.871 20 0 GAADMN C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574946718 949438753 /nfs/dbraw/zinc/43/87/53/949438753.db2.gz XQUBZFSDCMIXII-SECBINFHSA-N 0 1 386.424 -1.021 20 0 GAADMN C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574946721 949439721 /nfs/dbraw/zinc/43/97/21/949439721.db2.gz XQUBZFSDCMIXII-VIFPVBQESA-N 0 1 386.424 -1.021 20 0 GAADMN C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574947393 949442748 /nfs/dbraw/zinc/44/27/48/949442748.db2.gz AGBSRBSYBCZNNH-JTQLQIEISA-N 0 1 385.388 -1.839 20 0 GAADMN C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574947395 949443568 /nfs/dbraw/zinc/44/35/68/949443568.db2.gz AGBSRBSYBCZNNH-SNVBAGLBSA-N 0 1 385.388 -1.839 20 0 GAADMN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574947802 949454286 /nfs/dbraw/zinc/45/42/86/949454286.db2.gz DKMZSNCOLVPEGP-SECBINFHSA-N 0 1 386.376 -1.440 20 0 GAADMN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574947803 949453510 /nfs/dbraw/zinc/45/35/10/949453510.db2.gz DKMZSNCOLVPEGP-VIFPVBQESA-N 0 1 386.376 -1.440 20 0 GAADMN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574948481 949463404 /nfs/dbraw/zinc/46/34/04/949463404.db2.gz JPVRCJDOUNOQER-JTQLQIEISA-N 0 1 385.388 -1.190 20 0 GAADMN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574948482 949463203 /nfs/dbraw/zinc/46/32/03/949463203.db2.gz JPVRCJDOUNOQER-SNVBAGLBSA-N 0 1 385.388 -1.190 20 0 GAADMN C[C@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[N@@H+](C)C1CC1 ZINC001574950159 949530553 /nfs/dbraw/zinc/53/05/53/949530553.db2.gz MBCKWCAMTFSKLM-SECBINFHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[N@H+](C)C1CC1 ZINC001574950159 949530536 /nfs/dbraw/zinc/53/05/36/949530536.db2.gz MBCKWCAMTFSKLM-SECBINFHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H](CNC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[N@@H+](C)C1CC1 ZINC001574950159 949530526 /nfs/dbraw/zinc/53/05/26/949530526.db2.gz MBCKWCAMTFSKLM-SECBINFHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[N@@H+](C)C1CC1 ZINC001574950160 949530433 /nfs/dbraw/zinc/53/04/33/949530433.db2.gz MBCKWCAMTFSKLM-VIFPVBQESA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[N@H+](C)C1CC1 ZINC001574950160 949530420 /nfs/dbraw/zinc/53/04/20/949530420.db2.gz MBCKWCAMTFSKLM-VIFPVBQESA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H](CNC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[N@@H+](C)C1CC1 ZINC001574950160 949530402 /nfs/dbraw/zinc/53/04/02/949530402.db2.gz MBCKWCAMTFSKLM-VIFPVBQESA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574957981 949645453 /nfs/dbraw/zinc/64/54/53/949645453.db2.gz KKGAMSGGJNUFEA-SCZZXKLOSA-N 0 1 383.376 -1.626 20 0 GAADMN C[C@@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574957982 949646766 /nfs/dbraw/zinc/64/67/66/949646766.db2.gz KKGAMSGGJNUFEA-WPRPVWTQSA-N 0 1 383.376 -1.626 20 0 GAADMN C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574958507 949675867 /nfs/dbraw/zinc/67/58/67/949675867.db2.gz SAJAKCLCOMEINJ-RNCFNFMXSA-N 0 1 382.388 -1.021 20 0 GAADMN C[C@@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574958509 949676928 /nfs/dbraw/zinc/67/69/28/949676928.db2.gz SAJAKCLCOMEINJ-ZANVPECISA-N 0 1 382.388 -1.021 20 0 GAADMN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574963275 949748122 /nfs/dbraw/zinc/74/81/22/949748122.db2.gz HQUMDPZHPHQTTJ-KXUCPTDWSA-N 0 1 375.393 -1.370 20 0 GAADMN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574963279 949747783 /nfs/dbraw/zinc/74/77/83/949747783.db2.gz HQUMDPZHPHQTTJ-LPEHRKFASA-N 0 1 375.393 -1.370 20 0 GAADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)N[C@H](C)C(=O)N(C)C ZINC001574978127 950133258 /nfs/dbraw/zinc/13/32/58/950133258.db2.gz QYOMAUZYDZJYJI-NXEZZACHSA-N 0 1 391.436 -1.504 20 0 GAADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001574978128 950133071 /nfs/dbraw/zinc/13/30/71/950133071.db2.gz QYOMAUZYDZJYJI-UWVGGRQHSA-N 0 1 391.436 -1.504 20 0 GAADMN C[C@@H](NC(=O)CN[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001574978130 950135586 /nfs/dbraw/zinc/13/55/86/950135586.db2.gz QYOMAUZYDZJYJI-VHSXEESVSA-N 0 1 391.436 -1.504 20 0 GAADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001574978132 950132834 /nfs/dbraw/zinc/13/28/34/950132834.db2.gz QYOMAUZYDZJYJI-ZJUUUORDSA-N 0 1 391.436 -1.504 20 0 GAADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)N1CCNC(=O)C1 ZINC001574979340 950150963 /nfs/dbraw/zinc/15/09/63/950150963.db2.gz YMSXOCAIKNHPGZ-SECBINFHSA-N 0 1 375.393 -2.139 20 0 GAADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)N1CCNC(=O)C1 ZINC001574979341 950152400 /nfs/dbraw/zinc/15/24/00/950152400.db2.gz YMSXOCAIKNHPGZ-VIFPVBQESA-N 0 1 375.393 -2.139 20 0 GAADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)N[C@H](C)C(=O)N(C)C ZINC001574992451 950449780 /nfs/dbraw/zinc/44/97/80/950449780.db2.gz CQEHBSFAQPDWHR-NXEZZACHSA-N 0 1 391.436 -1.504 20 0 GAADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001574992452 950450894 /nfs/dbraw/zinc/45/08/94/950450894.db2.gz CQEHBSFAQPDWHR-UWVGGRQHSA-N 0 1 391.436 -1.504 20 0 GAADMN C[C@@H](NC(=O)CN[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001574992453 950448320 /nfs/dbraw/zinc/44/83/20/950448320.db2.gz CQEHBSFAQPDWHR-VHSXEESVSA-N 0 1 391.436 -1.504 20 0 GAADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001574992454 950452081 /nfs/dbraw/zinc/45/20/81/950452081.db2.gz CQEHBSFAQPDWHR-ZJUUUORDSA-N 0 1 391.436 -1.504 20 0 GAADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)N1CCNC(=O)C1 ZINC001574994669 950493495 /nfs/dbraw/zinc/49/34/95/950493495.db2.gz WOAHLIZPQMMJFS-SECBINFHSA-N 0 1 375.393 -2.139 20 0 GAADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)N1CCNC(=O)C1 ZINC001574994670 950492584 /nfs/dbraw/zinc/49/25/84/950492584.db2.gz WOAHLIZPQMMJFS-VIFPVBQESA-N 0 1 375.393 -2.139 20 0 GAADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)N1CCNC(=O)C1 ZINC001575016841 950959944 /nfs/dbraw/zinc/95/99/44/950959944.db2.gz ASAZCYUDNHOIGJ-SECBINFHSA-N 0 1 375.393 -2.139 20 0 GAADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)N1CCNC(=O)C1 ZINC001575016842 950960358 /nfs/dbraw/zinc/96/03/58/950960358.db2.gz ASAZCYUDNHOIGJ-VIFPVBQESA-N 0 1 375.393 -2.139 20 0 GAADMN C[C@H](CNC(=O)c1ccnc2c1nnn2C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575035582 951279869 /nfs/dbraw/zinc/27/98/69/951279869.db2.gz YGOBWWJUDMBEOM-MRVPVSSYSA-N 0 1 380.376 -1.014 20 0 GAADMN C[C@@H](CNC(=O)c1ccnc2c1nnn2C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575035583 951281044 /nfs/dbraw/zinc/28/10/44/951281044.db2.gz YGOBWWJUDMBEOM-QMMMGPOBSA-N 0 1 380.376 -1.014 20 0 GAADMN C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575041707 951347492 /nfs/dbraw/zinc/34/74/92/951347492.db2.gz AMKDSLUCXCVNNJ-MRVPVSSYSA-N 0 1 386.376 -2.294 20 0 GAADMN C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575041709 951347568 /nfs/dbraw/zinc/34/75/68/951347568.db2.gz AMKDSLUCXCVNNJ-QMMMGPOBSA-N 0 1 386.376 -2.294 20 0 GAADMN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575041957 951353228 /nfs/dbraw/zinc/35/32/28/951353228.db2.gz DVNQXRLVLQMOCJ-MRVPVSSYSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575041957 951353222 /nfs/dbraw/zinc/35/32/22/951353222.db2.gz DVNQXRLVLQMOCJ-MRVPVSSYSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575041958 951353100 /nfs/dbraw/zinc/35/31/00/951353100.db2.gz DVNQXRLVLQMOCJ-QMMMGPOBSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575041958 951353092 /nfs/dbraw/zinc/35/30/92/951353092.db2.gz DVNQXRLVLQMOCJ-QMMMGPOBSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043550 951397865 /nfs/dbraw/zinc/39/78/65/951397865.db2.gz UITACRIUWXFMFD-MRVPVSSYSA-N 0 1 386.376 -1.289 20 0 GAADMN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043551 951397772 /nfs/dbraw/zinc/39/77/72/951397772.db2.gz UITACRIUWXFMFD-QMMMGPOBSA-N 0 1 386.376 -1.289 20 0 GAADMN C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001575043963 951406397 /nfs/dbraw/zinc/40/63/97/951406397.db2.gz XJEYCPKUXFWLLO-SECBINFHSA-N 0 1 385.388 -1.689 20 0 GAADMN C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001575043966 951404970 /nfs/dbraw/zinc/40/49/70/951404970.db2.gz XJEYCPKUXFWLLO-VIFPVBQESA-N 0 1 385.388 -1.689 20 0 GAADMN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001575044293 951412493 /nfs/dbraw/zinc/41/24/93/951412493.db2.gz YRWAUTCDYFVJSG-SECBINFHSA-N 0 1 385.388 -1.039 20 0 GAADMN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001575044313 951413974 /nfs/dbraw/zinc/41/39/74/951413974.db2.gz YRWAUTCDYFVJSG-VIFPVBQESA-N 0 1 385.388 -1.039 20 0 GAADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575135174 952115893 /nfs/dbraw/zinc/11/58/93/952115893.db2.gz KOEJHHCFZPUWNU-HNNXBMFYSA-N 0 1 392.445 -1.180 20 0 GAADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575135176 952115848 /nfs/dbraw/zinc/11/58/48/952115848.db2.gz KOEJHHCFZPUWNU-OAHLLOKOSA-N 0 1 392.445 -1.180 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001575140432 952142122 /nfs/dbraw/zinc/14/21/22/952142122.db2.gz CWFNBLCZBYLPHK-SECBINFHSA-N 0 1 383.438 -1.771 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001575140436 952142170 /nfs/dbraw/zinc/14/21/70/952142170.db2.gz CWFNBLCZBYLPHK-VIFPVBQESA-N 0 1 383.438 -1.771 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)COCc1nncn1C ZINC001575140599 952142275 /nfs/dbraw/zinc/14/22/75/952142275.db2.gz DXXGJCQKIPSLFA-JTQLQIEISA-N 0 1 387.408 -1.317 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)COCc1nncn1C ZINC001575140604 952141843 /nfs/dbraw/zinc/14/18/43/952141843.db2.gz DXXGJCQKIPSLFA-SNVBAGLBSA-N 0 1 387.408 -1.317 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575140626 952142261 /nfs/dbraw/zinc/14/22/61/952142261.db2.gz DZHPLLHEJWYBKT-SECBINFHSA-N 0 1 386.376 -1.700 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575140630 952142699 /nfs/dbraw/zinc/14/26/99/952142699.db2.gz DZHPLLHEJWYBKT-VIFPVBQESA-N 0 1 386.376 -1.700 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575141377 952144191 /nfs/dbraw/zinc/14/41/91/952144191.db2.gz GVQCKGRXNKSGGI-LLVKDONJSA-N 0 1 388.436 -1.889 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575141378 952143703 /nfs/dbraw/zinc/14/37/03/952143703.db2.gz GVQCKGRXNKSGGI-NSHDSACASA-N 0 1 388.436 -1.889 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575141513 952144553 /nfs/dbraw/zinc/14/45/53/952144553.db2.gz HSNCBVCQRWISRD-SECBINFHSA-N 0 1 383.438 -1.771 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575141514 952145197 /nfs/dbraw/zinc/14/51/97/952145197.db2.gz HSNCBVCQRWISRD-VIFPVBQESA-N 0 1 383.438 -1.771 20 0 GAADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575141523 952145655 /nfs/dbraw/zinc/14/56/55/952145655.db2.gz HVMPHTJMMKULKB-HNNXBMFYSA-N 0 1 384.408 -1.148 20 0 GAADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575141525 952144789 /nfs/dbraw/zinc/14/47/89/952144789.db2.gz HVMPHTJMMKULKB-OAHLLOKOSA-N 0 1 384.408 -1.148 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575141544 952144845 /nfs/dbraw/zinc/14/48/45/952144845.db2.gz IANWUGUQCSMRDB-SECBINFHSA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575141547 952145443 /nfs/dbraw/zinc/14/54/43/952145443.db2.gz IANWUGUQCSMRDB-VIFPVBQESA-N 0 1 380.434 -1.228 20 0 GAADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575142185 952146615 /nfs/dbraw/zinc/14/66/15/952146615.db2.gz KCWPKZQAJOGUTC-AWEZNQCLSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575142186 952147189 /nfs/dbraw/zinc/14/71/89/952147189.db2.gz KCWPKZQAJOGUTC-CQSZACIVSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575142693 952148180 /nfs/dbraw/zinc/14/81/80/952148180.db2.gz KVOMHOMZGQSTFX-SECBINFHSA-N 0 1 388.392 -1.721 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575142694 952148165 /nfs/dbraw/zinc/14/81/65/952148165.db2.gz KVOMHOMZGQSTFX-VIFPVBQESA-N 0 1 388.392 -1.721 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCn1cnccc1=O ZINC001575142815 952150278 /nfs/dbraw/zinc/15/02/78/952150278.db2.gz MFSCJJAFJOQJJY-LLVKDONJSA-N 0 1 384.404 -1.016 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCn1cnccc1=O ZINC001575142816 952149813 /nfs/dbraw/zinc/14/98/13/952149813.db2.gz MFSCJJAFJOQJJY-NSHDSACASA-N 0 1 384.404 -1.016 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575143111 952149856 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ZINC001575144593 952167724 /nfs/dbraw/zinc/16/77/24/952167724.db2.gz JEIUUBSGJHLOOL-JOYOIKCWSA-N 0 1 380.434 -1.366 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575144595 952168248 /nfs/dbraw/zinc/16/82/48/952168248.db2.gz JEIUUBSGJHLOOL-SKDRFNHKSA-N 0 1 380.434 -1.366 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CN1CCOCC1=O ZINC001575144681 952169101 /nfs/dbraw/zinc/16/91/01/952169101.db2.gz XKMYUMMGAFQJLD-JTQLQIEISA-N 0 1 375.393 -1.804 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CN1CCOCC1=O ZINC001575144683 952169720 /nfs/dbraw/zinc/16/97/20/952169720.db2.gz XKMYUMMGAFQJLD-SNVBAGLBSA-N 0 1 375.393 -1.804 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575144881 952174488 /nfs/dbraw/zinc/17/44/88/952174488.db2.gz YXSPMZWPKXAAGT-NXEZZACHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575144883 952174599 /nfs/dbraw/zinc/17/45/99/952174599.db2.gz YXSPMZWPKXAAGT-UWVGGRQHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575144886 952174592 /nfs/dbraw/zinc/17/45/92/952174592.db2.gz YXSPMZWPKXAAGT-VHSXEESVSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575144888 952174015 /nfs/dbraw/zinc/17/40/15/952174015.db2.gz YXSPMZWPKXAAGT-ZJUUUORDSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575145005 952175268 /nfs/dbraw/zinc/17/52/68/952175268.db2.gz OBEWMBMVMMBBLQ-MRVPVSSYSA-N 0 1 386.376 -1.550 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575145006 952175974 /nfs/dbraw/zinc/17/59/74/952175974.db2.gz OBEWMBMVMMBBLQ-QMMMGPOBSA-N 0 1 386.376 -1.550 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575145617 952187643 /nfs/dbraw/zinc/18/76/43/952187643.db2.gz BFBMKSXHWKCRJQ-JTQLQIEISA-N 0 1 385.388 -1.095 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575145618 952186922 /nfs/dbraw/zinc/18/69/22/952186922.db2.gz BFBMKSXHWKCRJQ-SNVBAGLBSA-N 0 1 385.388 -1.095 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575145802 952188329 /nfs/dbraw/zinc/18/83/29/952188329.db2.gz CTVINZUNFKXCSX-LLVKDONJSA-N 0 1 386.420 -1.072 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575145803 952188953 /nfs/dbraw/zinc/18/89/53/952188953.db2.gz CTVINZUNFKXCSX-NSHDSACASA-N 0 1 386.420 -1.072 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575146392 952194135 /nfs/dbraw/zinc/19/41/35/952194135.db2.gz JZSMUHFPTADTNP-GFCCVEGCSA-N 0 1 387.448 -1.284 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575146393 952193819 /nfs/dbraw/zinc/19/38/19/952193819.db2.gz JZSMUHFPTADTNP-LBPRGKRZSA-N 0 1 387.448 -1.284 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575146850 952197967 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C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001575185743 952435763 /nfs/dbraw/zinc/43/57/63/952435763.db2.gz VIOIRHXAOOTNBQ-NXEZZACHSA-N 0 1 383.434 -1.747 20 0 GAADMN C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001575185744 952435816 /nfs/dbraw/zinc/43/58/16/952435816.db2.gz VIOIRHXAOOTNBQ-UWVGGRQHSA-N 0 1 383.434 -1.747 20 0 GAADMN C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001575185745 952435377 /nfs/dbraw/zinc/43/53/77/952435377.db2.gz VIOIRHXAOOTNBQ-VHSXEESVSA-N 0 1 383.434 -1.747 20 0 GAADMN C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001575185746 952434911 /nfs/dbraw/zinc/43/49/11/952434911.db2.gz VIOIRHXAOOTNBQ-ZJUUUORDSA-N 0 1 383.434 -1.747 20 0 GAADMN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575186027 952436442 /nfs/dbraw/zinc/43/64/42/952436442.db2.gz XVNJKFAJQSKCHE-BBBLOLIVSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575186028 952436912 /nfs/dbraw/zinc/43/69/12/952436912.db2.gz XVNJKFAJQSKCHE-GUBZILKMSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575186029 952436699 /nfs/dbraw/zinc/43/66/99/952436699.db2.gz XVNJKFAJQSKCHE-LPEHRKFASA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575186030 952436037 /nfs/dbraw/zinc/43/60/37/952436037.db2.gz XVNJKFAJQSKCHE-OPRDCNLKSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001575200693 952497559 /nfs/dbraw/zinc/49/75/59/952497559.db2.gz KSSCOTZAYDDQRC-BIMULSAOSA-N 0 1 384.404 -1.076 20 0 GAADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001575200695 952497476 /nfs/dbraw/zinc/49/74/76/952497476.db2.gz KSSCOTZAYDDQRC-OASPWFOLSA-N 0 1 384.404 -1.076 20 0 GAADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001575200697 952498297 /nfs/dbraw/zinc/49/82/97/952498297.db2.gz KSSCOTZAYDDQRC-WQAKAFBOSA-N 0 1 384.404 -1.076 20 0 GAADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001575200699 952498215 /nfs/dbraw/zinc/49/82/15/952498215.db2.gz KSSCOTZAYDDQRC-ZWKOPEQDSA-N 0 1 384.404 -1.076 20 0 GAADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001575201376 952503828 /nfs/dbraw/zinc/50/38/28/952503828.db2.gz OOFSXIZJJGWGJM-BIMULSAOSA-N 0 1 384.404 -1.076 20 0 GAADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001575201377 952504297 /nfs/dbraw/zinc/50/42/97/952504297.db2.gz OOFSXIZJJGWGJM-OASPWFOLSA-N 0 1 384.404 -1.076 20 0 GAADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001575201378 952504008 /nfs/dbraw/zinc/50/40/08/952504008.db2.gz OOFSXIZJJGWGJM-WQAKAFBOSA-N 0 1 384.404 -1.076 20 0 GAADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001575201379 952503678 /nfs/dbraw/zinc/50/36/78/952503678.db2.gz OOFSXIZJJGWGJM-ZWKOPEQDSA-N 0 1 384.404 -1.076 20 0 GAADMN C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575207096 952531638 /nfs/dbraw/zinc/53/16/38/952531638.db2.gz NPFYMRCJWKAPEY-CMPLNLGQSA-N 0 1 386.420 -1.420 20 0 GAADMN C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575207101 952532247 /nfs/dbraw/zinc/53/22/47/952532247.db2.gz NPFYMRCJWKAPEY-JQWIXIFHSA-N 0 1 386.420 -1.420 20 0 GAADMN C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575207103 952532084 /nfs/dbraw/zinc/53/20/84/952532084.db2.gz NPFYMRCJWKAPEY-PWSUYJOCSA-N 0 1 386.420 -1.420 20 0 GAADMN C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575207105 952532118 /nfs/dbraw/zinc/53/21/18/952532118.db2.gz NPFYMRCJWKAPEY-ZYHUDNBSSA-N 0 1 386.420 -1.420 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001575271128 949614112 /nfs/dbraw/zinc/61/41/12/949614112.db2.gz IPAONNLPTVGOFB-BDAKNGLRSA-N 0 1 383.438 -1.677 20 0 GAADMN C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271129 949613619 /nfs/dbraw/zinc/61/36/19/949613619.db2.gz IPAONNLPTVGOFB-DTWKUNHWSA-N 0 1 383.438 -1.677 20 0 GAADMN C[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271130 949615321 /nfs/dbraw/zinc/61/53/21/949615321.db2.gz IPAONNLPTVGOFB-IUCAKERBSA-N 0 1 383.438 -1.677 20 0 GAADMN C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271131 949615398 /nfs/dbraw/zinc/61/53/98/949615398.db2.gz IPAONNLPTVGOFB-RKDXNWHRSA-N 0 1 383.438 -1.677 20 0 GAADMN C[C@H](NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001575277492 949750242 /nfs/dbraw/zinc/75/02/42/949750242.db2.gz QLSRWOLGMFARIF-CMPLNLGQSA-N 0 1 391.436 -1.730 20 0 GAADMN C[C@H](NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001575277494 949749327 /nfs/dbraw/zinc/74/93/27/949749327.db2.gz QLSRWOLGMFARIF-JQWIXIFHSA-N 0 1 391.436 -1.730 20 0 GAADMN C[C@@H](NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001575277496 949749854 /nfs/dbraw/zinc/74/98/54/949749854.db2.gz QLSRWOLGMFARIF-PWSUYJOCSA-N 0 1 391.436 -1.730 20 0 GAADMN C[C@@H](NC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001575277498 949752411 /nfs/dbraw/zinc/75/24/11/949752411.db2.gz QLSRWOLGMFARIF-ZYHUDNBSSA-N 0 1 391.436 -1.730 20 0 GAADMN C[C@H](NC(=O)CNCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001575280831 949789438 /nfs/dbraw/zinc/78/94/38/949789438.db2.gz AIGYPWWDPJKUAV-JTQLQIEISA-N 0 1 391.436 -1.551 20 0 GAADMN C[C@@H](NC(=O)CNCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001575280832 949794909 /nfs/dbraw/zinc/79/49/09/949794909.db2.gz AIGYPWWDPJKUAV-SNVBAGLBSA-N 0 1 391.436 -1.551 20 0 GAADMN C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281212 949800378 /nfs/dbraw/zinc/80/03/78/949800378.db2.gz DUYWMAAROQEZNU-NXEZZACHSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281214 949804842 /nfs/dbraw/zinc/80/48/42/949804842.db2.gz DUYWMAAROQEZNU-UWVGGRQHSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281216 949803361 /nfs/dbraw/zinc/80/33/61/949803361.db2.gz DUYWMAAROQEZNU-VHSXEESVSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001575281217 949803715 /nfs/dbraw/zinc/80/37/15/949803715.db2.gz DUYWMAAROQEZNU-ZJUUUORDSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575281849 949823365 /nfs/dbraw/zinc/82/33/65/949823365.db2.gz AXHBJYQUQXVNLC-NXEZZACHSA-N 0 1 387.408 -1.631 20 0 GAADMN C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575281852 949823010 /nfs/dbraw/zinc/82/30/10/949823010.db2.gz AXHBJYQUQXVNLC-UWVGGRQHSA-N 0 1 387.408 -1.631 20 0 GAADMN C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575281856 949824394 /nfs/dbraw/zinc/82/43/94/949824394.db2.gz AXHBJYQUQXVNLC-VHSXEESVSA-N 0 1 387.408 -1.631 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001575281858 949825093 /nfs/dbraw/zinc/82/50/93/949825093.db2.gz AXHBJYQUQXVNLC-ZJUUUORDSA-N 0 1 387.408 -1.631 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001575282182 949827047 /nfs/dbraw/zinc/82/70/47/949827047.db2.gz IWQAHWMRROMCFP-BDAKNGLRSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575282185 949827798 /nfs/dbraw/zinc/82/77/98/949827798.db2.gz IWQAHWMRROMCFP-DTWKUNHWSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575282187 949825707 /nfs/dbraw/zinc/82/57/07/949825707.db2.gz IWQAHWMRROMCFP-IUCAKERBSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575282189 949829585 /nfs/dbraw/zinc/82/95/85/949829585.db2.gz IWQAHWMRROMCFP-RKDXNWHRSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575283119 949862598 /nfs/dbraw/zinc/86/25/98/949862598.db2.gz NNCVWIDWTGLISF-NXEZZACHSA-N 0 1 387.408 -1.271 20 0 GAADMN C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575283120 949859534 /nfs/dbraw/zinc/85/95/34/949859534.db2.gz NNCVWIDWTGLISF-UWVGGRQHSA-N 0 1 387.408 -1.271 20 0 GAADMN C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575283122 949862075 /nfs/dbraw/zinc/86/20/75/949862075.db2.gz NNCVWIDWTGLISF-VHSXEESVSA-N 0 1 387.408 -1.271 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575283124 949858677 /nfs/dbraw/zinc/85/86/77/949858677.db2.gz NNCVWIDWTGLISF-ZJUUUORDSA-N 0 1 387.408 -1.271 20 0 GAADMN C[C@H](NC(=O)CN[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575283613 949875397 /nfs/dbraw/zinc/87/53/97/949875397.db2.gz QJVNMDKDDXRAMH-GXSJLCMTSA-N 0 1 376.421 -1.210 20 0 GAADMN C[C@@H](NC(=O)CN[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575283614 949876118 /nfs/dbraw/zinc/87/61/18/949876118.db2.gz QJVNMDKDDXRAMH-KOLCDFICSA-N 0 1 376.421 -1.210 20 0 GAADMN C[C@@H](NC(=O)CN[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575283615 949877614 /nfs/dbraw/zinc/87/76/14/949877614.db2.gz QJVNMDKDDXRAMH-MWLCHTKSSA-N 0 1 376.421 -1.210 20 0 GAADMN C[C@H](NC(=O)CN[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575283616 949874722 /nfs/dbraw/zinc/87/47/22/949874722.db2.gz QJVNMDKDDXRAMH-ONGXEEELSA-N 0 1 376.421 -1.210 20 0 GAADMN C[C@@H](NC(=O)CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575283661 949881738 /nfs/dbraw/zinc/88/17/38/949881738.db2.gz QQJBLYCOQDXHAD-BXKDBHETSA-N 0 1 376.421 -1.210 20 0 GAADMN C[C@H](NC(=O)CN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575283664 949880491 /nfs/dbraw/zinc/88/04/91/949880491.db2.gz QQJBLYCOQDXHAD-CABZTGNLSA-N 0 1 376.421 -1.210 20 0 GAADMN C[C@H](NC(=O)CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575283666 949878887 /nfs/dbraw/zinc/87/88/87/949878887.db2.gz QQJBLYCOQDXHAD-JOYOIKCWSA-N 0 1 376.421 -1.210 20 0 GAADMN C[C@@H](NC(=O)CN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575283669 949881068 /nfs/dbraw/zinc/88/10/68/949881068.db2.gz QQJBLYCOQDXHAD-SKDRFNHKSA-N 0 1 376.421 -1.210 20 0 GAADMN C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284468 949908383 /nfs/dbraw/zinc/90/83/83/949908383.db2.gz IROVNEGXKGWXMX-GHMZBOCLSA-N 0 1 386.420 -1.026 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001575284469 949906703 /nfs/dbraw/zinc/90/67/03/949906703.db2.gz IROVNEGXKGWXMX-MNOVXSKESA-N 0 1 386.420 -1.026 20 0 GAADMN C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284470 949904980 /nfs/dbraw/zinc/90/49/80/949904980.db2.gz IROVNEGXKGWXMX-QWRGUYRKSA-N 0 1 386.420 -1.026 20 0 GAADMN C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284471 949904288 /nfs/dbraw/zinc/90/42/88/949904288.db2.gz IROVNEGXKGWXMX-WDEREUQCSA-N 0 1 386.420 -1.026 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001575285241 949936183 /nfs/dbraw/zinc/93/61/83/949936183.db2.gz LWPFJAJSDLVKOP-BDAKNGLRSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285245 949938124 /nfs/dbraw/zinc/93/81/24/949938124.db2.gz LWPFJAJSDLVKOP-DTWKUNHWSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285247 949936891 /nfs/dbraw/zinc/93/68/91/949936891.db2.gz LWPFJAJSDLVKOP-IUCAKERBSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285248 949938366 /nfs/dbraw/zinc/93/83/66/949938366.db2.gz LWPFJAJSDLVKOP-RKDXNWHRSA-N 0 1 383.438 -1.725 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001575285529 949947215 /nfs/dbraw/zinc/94/72/15/949947215.db2.gz OEDUWEBVOQGISV-NEPJUHHUSA-N 0 1 387.448 -1.237 20 0 GAADMN C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285530 949949802 /nfs/dbraw/zinc/94/98/02/949949802.db2.gz OEDUWEBVOQGISV-NWDGAFQWSA-N 0 1 387.448 -1.237 20 0 GAADMN C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285531 949949031 /nfs/dbraw/zinc/94/90/31/949949031.db2.gz OEDUWEBVOQGISV-RYUDHWBXSA-N 0 1 387.448 -1.237 20 0 GAADMN C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285532 949946198 /nfs/dbraw/zinc/94/61/98/949946198.db2.gz OEDUWEBVOQGISV-VXGBXAGGSA-N 0 1 387.448 -1.237 20 0 GAADMN C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285606 949954575 /nfs/dbraw/zinc/95/45/75/949954575.db2.gz PDKCAZXQUADPHO-NXEZZACHSA-N 0 1 387.404 -1.069 20 0 GAADMN C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285607 949955335 /nfs/dbraw/zinc/95/53/35/949955335.db2.gz PDKCAZXQUADPHO-UWVGGRQHSA-N 0 1 387.404 -1.069 20 0 GAADMN C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285608 949953631 /nfs/dbraw/zinc/95/36/31/949953631.db2.gz PDKCAZXQUADPHO-VHSXEESVSA-N 0 1 387.404 -1.069 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001575285610 949954061 /nfs/dbraw/zinc/95/40/61/949954061.db2.gz PDKCAZXQUADPHO-ZJUUUORDSA-N 0 1 387.404 -1.069 20 0 GAADMN C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575286977 949987818 /nfs/dbraw/zinc/98/78/18/949987818.db2.gz YTUSNOGSLZMDOJ-NXEZZACHSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575286978 949990543 /nfs/dbraw/zinc/99/05/43/949990543.db2.gz YTUSNOGSLZMDOJ-UWVGGRQHSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575286979 949988749 /nfs/dbraw/zinc/98/87/49/949988749.db2.gz YTUSNOGSLZMDOJ-VHSXEESVSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001575286980 949989993 /nfs/dbraw/zinc/98/99/93/949989993.db2.gz YTUSNOGSLZMDOJ-ZJUUUORDSA-N 0 1 382.450 -1.120 20 0 GAADMN C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575286981 949987641 /nfs/dbraw/zinc/98/76/41/949987641.db2.gz YUBVMYHTJYTVQV-NXEZZACHSA-N 0 1 375.393 -1.758 20 0 GAADMN C[C@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575286982 949988907 /nfs/dbraw/zinc/98/89/07/949988907.db2.gz YUBVMYHTJYTVQV-UWVGGRQHSA-N 0 1 375.393 -1.758 20 0 GAADMN C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575286983 949987871 /nfs/dbraw/zinc/98/78/71/949987871.db2.gz YUBVMYHTJYTVQV-VHSXEESVSA-N 0 1 375.393 -1.758 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001575286984 949989364 /nfs/dbraw/zinc/98/93/64/949989364.db2.gz YUBVMYHTJYTVQV-ZJUUUORDSA-N 0 1 375.393 -1.758 20 0 GAADMN C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575503310 949041338 /nfs/dbraw/zinc/04/13/38/949041338.db2.gz OHVGURFQTIWDCJ-GHMZBOCLSA-N 0 1 385.388 -1.170 20 0 GAADMN C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575503314 949045428 /nfs/dbraw/zinc/04/54/28/949045428.db2.gz OHVGURFQTIWDCJ-MNOVXSKESA-N 0 1 385.388 -1.170 20 0 GAADMN C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575503317 949044332 /nfs/dbraw/zinc/04/43/32/949044332.db2.gz OHVGURFQTIWDCJ-QWRGUYRKSA-N 0 1 385.388 -1.170 20 0 GAADMN C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575503321 949043203 /nfs/dbraw/zinc/04/32/03/949043203.db2.gz OHVGURFQTIWDCJ-WDEREUQCSA-N 0 1 385.388 -1.170 20 0 GAADMN C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575503444 949049996 /nfs/dbraw/zinc/04/99/96/949049996.db2.gz PWBFXPKSLQWDHZ-GHMZBOCLSA-N 0 1 385.388 -1.170 20 0 GAADMN C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575503447 949048906 /nfs/dbraw/zinc/04/89/06/949048906.db2.gz PWBFXPKSLQWDHZ-MNOVXSKESA-N 0 1 385.388 -1.170 20 0 GAADMN C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575503450 949048661 /nfs/dbraw/zinc/04/86/61/949048661.db2.gz PWBFXPKSLQWDHZ-QWRGUYRKSA-N 0 1 385.388 -1.170 20 0 GAADMN C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575503453 949048148 /nfs/dbraw/zinc/04/81/48/949048148.db2.gz PWBFXPKSLQWDHZ-WDEREUQCSA-N 0 1 385.388 -1.170 20 0 GAADMN C[C@]1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575523813 949302435 /nfs/dbraw/zinc/30/24/35/949302435.db2.gz DCEASKUIVWCSTP-KRWDZBQOSA-N 0 1 388.432 -1.167 20 0 GAADMN C[C@@]1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575523814 949300336 /nfs/dbraw/zinc/30/03/36/949300336.db2.gz DCEASKUIVWCSTP-QGZVFWFLSA-N 0 1 388.432 -1.167 20 0 GAADMN C[C@]1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CCC(=O)NC1 ZINC001575524444 949316932 /nfs/dbraw/zinc/31/69/32/949316932.db2.gz JFXBINTYGHZJQT-INIZCTEOSA-N 0 1 389.420 -1.772 20 0 GAADMN C[C@@]1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CCC(=O)NC1 ZINC001575524445 949315789 /nfs/dbraw/zinc/31/57/89/949315789.db2.gz JFXBINTYGHZJQT-MRXNPFEDSA-N 0 1 389.420 -1.772 20 0 GAADMN C[C@]1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CCNC(=O)C1 ZINC001575524890 949329801 /nfs/dbraw/zinc/32/98/01/949329801.db2.gz KPKYDFDLZHLPFM-INIZCTEOSA-N 0 1 389.420 -1.772 20 0 GAADMN C[C@@]1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CCNC(=O)C1 ZINC001575524891 949327524 /nfs/dbraw/zinc/32/75/24/949327524.db2.gz KPKYDFDLZHLPFM-MRXNPFEDSA-N 0 1 389.420 -1.772 20 0 GAADMN C[C@@]1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CCC(=O)NC1 ZINC001575604669 950448436 /nfs/dbraw/zinc/44/84/36/950448436.db2.gz FFCBXWTZGCHWBR-KCWFYHRYSA-N 0 1 387.404 -1.761 20 0 GAADMN C[C@]1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CCC(=O)NC1 ZINC001575604670 950450192 /nfs/dbraw/zinc/45/01/92/950450192.db2.gz FFCBXWTZGCHWBR-LSYCYVAJSA-N 0 1 387.404 -1.761 20 0 GAADMN C[C@]1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CCC(=O)NC1 ZINC001575604671 950449946 /nfs/dbraw/zinc/44/99/46/950449946.db2.gz FFCBXWTZGCHWBR-LYGAQUJYSA-N 0 1 387.404 -1.761 20 0 GAADMN C[C@@]1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CCC(=O)NC1 ZINC001575604672 950450105 /nfs/dbraw/zinc/45/01/05/950450105.db2.gz FFCBXWTZGCHWBR-XIZWVBILSA-N 0 1 387.404 -1.761 20 0 GAADMN C[C@]1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CCNC(=O)C1 ZINC001575605464 950465073 /nfs/dbraw/zinc/46/50/73/950465073.db2.gz OZJSUOYNKWPQKQ-LYGAQUJYSA-N 0 1 387.404 -1.761 20 0 GAADMN C[C@@]1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CCNC(=O)C1 ZINC001575605465 950463894 /nfs/dbraw/zinc/46/38/94/950463894.db2.gz OZJSUOYNKWPQKQ-XIZWVBILSA-N 0 1 387.404 -1.761 20 0 GAADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001575854386 949228409 /nfs/dbraw/zinc/22/84/09/949228409.db2.gz UCBBENKHENXEGF-UHFFFAOYSA-N 0 1 392.445 -1.084 20 0 GAADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001575854635 949239708 /nfs/dbraw/zinc/23/97/08/949239708.db2.gz YLSVVEKBTCKSGI-UHFFFAOYSA-N 0 1 380.434 -1.084 20 0 GAADMN C[C@H]1[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886373 949882177 /nfs/dbraw/zinc/88/21/77/949882177.db2.gz XZISZMWMJNUTSK-GZMMTYOYSA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@H]1[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC[N@@H+]1C ZINC001575886373 949882152 /nfs/dbraw/zinc/88/21/52/949882152.db2.gz XZISZMWMJNUTSK-GZMMTYOYSA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@H]1[C@H](NC(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886373 949882125 /nfs/dbraw/zinc/88/21/25/949882125.db2.gz XZISZMWMJNUTSK-GZMMTYOYSA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886377 949880487 /nfs/dbraw/zinc/88/04/87/949880487.db2.gz XZISZMWMJNUTSK-KCJUWKMLSA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC[N@@H+]1C ZINC001575886377 949880466 /nfs/dbraw/zinc/88/04/66/949880466.db2.gz XZISZMWMJNUTSK-KCJUWKMLSA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886377 949880445 /nfs/dbraw/zinc/88/04/45/949880445.db2.gz XZISZMWMJNUTSK-KCJUWKMLSA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886380 949880292 /nfs/dbraw/zinc/88/02/92/949880292.db2.gz XZISZMWMJNUTSK-KWQFWETISA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC[N@@H+]1C ZINC001575886380 949880270 /nfs/dbraw/zinc/88/02/70/949880270.db2.gz XZISZMWMJNUTSK-KWQFWETISA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886380 949880247 /nfs/dbraw/zinc/88/02/47/949880247.db2.gz XZISZMWMJNUTSK-KWQFWETISA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@@H]1[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886383 949884579 /nfs/dbraw/zinc/88/45/79/949884579.db2.gz XZISZMWMJNUTSK-LDYMZIIASA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@@H]1[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC[N@@H+]1C ZINC001575886383 949884557 /nfs/dbraw/zinc/88/45/57/949884557.db2.gz XZISZMWMJNUTSK-LDYMZIIASA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@@H]1[C@H](NC(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886383 949884528 /nfs/dbraw/zinc/88/45/28/949884528.db2.gz XZISZMWMJNUTSK-LDYMZIIASA-N 0 1 375.393 -1.212 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575918177 950589285 /nfs/dbraw/zinc/58/92/85/950589285.db2.gz AYGZKNXOPMLQBZ-GHMZBOCLSA-N 0 1 386.420 -2.088 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575918178 950592851 /nfs/dbraw/zinc/59/28/51/950592851.db2.gz AYGZKNXOPMLQBZ-MNOVXSKESA-N 0 1 386.420 -2.088 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575918179 950592736 /nfs/dbraw/zinc/59/27/36/950592736.db2.gz AYGZKNXOPMLQBZ-QWRGUYRKSA-N 0 1 386.420 -2.088 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575918180 950589509 /nfs/dbraw/zinc/58/95/09/950589509.db2.gz AYGZKNXOPMLQBZ-WDEREUQCSA-N 0 1 386.420 -2.088 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575918748 950602268 /nfs/dbraw/zinc/60/22/68/950602268.db2.gz DXGJPPWCURTXEH-PSASIEDQSA-N 0 1 378.418 -1.476 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575918750 950601997 /nfs/dbraw/zinc/60/19/97/950601997.db2.gz DXGJPPWCURTXEH-SCZZXKLOSA-N 0 1 378.418 -1.476 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575918752 950601488 /nfs/dbraw/zinc/60/14/88/950601488.db2.gz DXGJPPWCURTXEH-WCBMZHEXSA-N 0 1 378.418 -1.476 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575918754 950602372 /nfs/dbraw/zinc/60/23/72/950602372.db2.gz DXGJPPWCURTXEH-WPRPVWTQSA-N 0 1 378.418 -1.476 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575919077 950603928 /nfs/dbraw/zinc/60/39/28/950603928.db2.gz GCBALVBBARNYRM-GHMZBOCLSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575919078 950603446 /nfs/dbraw/zinc/60/34/46/950603446.db2.gz GCBALVBBARNYRM-MNOVXSKESA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575919079 950605031 /nfs/dbraw/zinc/60/50/31/950605031.db2.gz GCBALVBBARNYRM-QWRGUYRKSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575919081 950605987 /nfs/dbraw/zinc/60/59/87/950605987.db2.gz GCBALVBBARNYRM-WDEREUQCSA-N 0 1 386.420 -1.105 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575919812 950622259 /nfs/dbraw/zinc/62/22/59/950622259.db2.gz KELFEVJGBJORFN-NXEZZACHSA-N 0 1 385.392 -1.925 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575919813 950624400 /nfs/dbraw/zinc/62/44/00/950624400.db2.gz KELFEVJGBJORFN-UWVGGRQHSA-N 0 1 385.392 -1.925 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575919814 950622104 /nfs/dbraw/zinc/62/21/04/950622104.db2.gz KELFEVJGBJORFN-VHSXEESVSA-N 0 1 385.392 -1.925 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575919815 950625382 /nfs/dbraw/zinc/62/53/82/950625382.db2.gz KELFEVJGBJORFN-ZJUUUORDSA-N 0 1 385.392 -1.925 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575920268 950633737 /nfs/dbraw/zinc/63/37/37/950633737.db2.gz MAUNWOPNVLLJEN-GXSJLCMTSA-N 0 1 392.445 -1.085 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575920269 950630643 /nfs/dbraw/zinc/63/06/43/950630643.db2.gz MAUNWOPNVLLJEN-KOLCDFICSA-N 0 1 392.445 -1.085 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575920270 950631105 /nfs/dbraw/zinc/63/11/05/950631105.db2.gz MAUNWOPNVLLJEN-MWLCHTKSSA-N 0 1 392.445 -1.085 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575920271 950633927 /nfs/dbraw/zinc/63/39/27/950633927.db2.gz MAUNWOPNVLLJEN-ONGXEEELSA-N 0 1 392.445 -1.085 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575920565 950634025 /nfs/dbraw/zinc/63/40/25/950634025.db2.gz MOSIPHADGZJWMD-NXEZZACHSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575920569 950632870 /nfs/dbraw/zinc/63/28/70/950632870.db2.gz MOSIPHADGZJWMD-UWVGGRQHSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575920573 950633777 /nfs/dbraw/zinc/63/37/77/950633777.db2.gz MOSIPHADGZJWMD-VHSXEESVSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575920577 950632709 /nfs/dbraw/zinc/63/27/09/950632709.db2.gz MOSIPHADGZJWMD-ZJUUUORDSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575920644 950631827 /nfs/dbraw/zinc/63/18/27/950631827.db2.gz MSLKUQYINLTSAQ-NXEZZACHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575920648 950633964 /nfs/dbraw/zinc/63/39/64/950633964.db2.gz MSLKUQYINLTSAQ-UWVGGRQHSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575920651 950633537 /nfs/dbraw/zinc/63/35/37/950633537.db2.gz MSLKUQYINLTSAQ-VHSXEESVSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575920654 950631636 /nfs/dbraw/zinc/63/16/36/950631636.db2.gz MSLKUQYINLTSAQ-ZJUUUORDSA-N 0 1 380.434 -1.085 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575925330 950685492 /nfs/dbraw/zinc/68/54/92/950685492.db2.gz UHCUMHYKGXBUPC-NXEZZACHSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575925335 950684015 /nfs/dbraw/zinc/68/40/15/950684015.db2.gz UHCUMHYKGXBUPC-UWVGGRQHSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575925341 950685861 /nfs/dbraw/zinc/68/58/61/950685861.db2.gz UHCUMHYKGXBUPC-VHSXEESVSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575925345 950685372 /nfs/dbraw/zinc/68/53/72/950685372.db2.gz UHCUMHYKGXBUPC-ZJUUUORDSA-N 0 1 382.388 -1.113 20 0 GAADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575926397 950710977 /nfs/dbraw/zinc/71/09/77/950710977.db2.gz JUWPDJBISHVQQE-CMPLNLGQSA-N 0 1 384.404 -1.320 20 0 GAADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575926401 950709558 /nfs/dbraw/zinc/70/95/58/950709558.db2.gz JUWPDJBISHVQQE-JQWIXIFHSA-N 0 1 384.404 -1.320 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575926402 950707873 /nfs/dbraw/zinc/70/78/73/950707873.db2.gz JUWPDJBISHVQQE-PWSUYJOCSA-N 0 1 384.404 -1.320 20 0 GAADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575926404 950709678 /nfs/dbraw/zinc/70/96/78/950709678.db2.gz JUWPDJBISHVQQE-ZYHUDNBSSA-N 0 1 384.404 -1.320 20 0 GAADMN C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168580 949645806 /nfs/dbraw/zinc/64/58/06/949645806.db2.gz CGUZZGGKHUZHAX-GHMZBOCLSA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168581 949644526 /nfs/dbraw/zinc/64/45/26/949644526.db2.gz CGUZZGGKHUZHAX-MNOVXSKESA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168582 949646033 /nfs/dbraw/zinc/64/60/33/949646033.db2.gz CGUZZGGKHUZHAX-QWRGUYRKSA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168583 949644631 /nfs/dbraw/zinc/64/46/31/949644631.db2.gz CGUZZGGKHUZHAX-WDEREUQCSA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168588 949645054 /nfs/dbraw/zinc/64/50/54/949645054.db2.gz CIRCZQIPXXREBU-GHMZBOCLSA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168589 949644597 /nfs/dbraw/zinc/64/45/97/949644597.db2.gz CIRCZQIPXXREBU-MNOVXSKESA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168590 949644451 /nfs/dbraw/zinc/64/44/51/949644451.db2.gz CIRCZQIPXXREBU-QWRGUYRKSA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168591 949645089 /nfs/dbraw/zinc/64/50/89/949645089.db2.gz CIRCZQIPXXREBU-WDEREUQCSA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@H]1CCCN1CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576177760 949858866 /nfs/dbraw/zinc/85/88/66/949858866.db2.gz BILFBDPGZPVURF-CMPLNLGQSA-N 0 1 376.421 -1.114 20 0 GAADMN C[C@H]1CCCN1CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576177761 949861434 /nfs/dbraw/zinc/86/14/34/949861434.db2.gz BILFBDPGZPVURF-JQWIXIFHSA-N 0 1 376.421 -1.114 20 0 GAADMN C[C@@H]1CCCN1CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576177762 949860665 /nfs/dbraw/zinc/86/06/65/949860665.db2.gz BILFBDPGZPVURF-PWSUYJOCSA-N 0 1 376.421 -1.114 20 0 GAADMN C[C@@H]1CCCN1CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576177764 949860961 /nfs/dbraw/zinc/86/09/61/949860961.db2.gz BILFBDPGZPVURF-ZYHUDNBSSA-N 0 1 376.421 -1.114 20 0 GAADMN C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181371 950002989 /nfs/dbraw/zinc/00/29/89/950002989.db2.gz UFIPAEUWJKECFK-NXEZZACHSA-N 0 1 384.408 -1.045 20 0 GAADMN C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181374 949999820 /nfs/dbraw/zinc/99/98/20/949999820.db2.gz UFIPAEUWJKECFK-UWVGGRQHSA-N 0 1 384.408 -1.045 20 0 GAADMN C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181376 950002442 /nfs/dbraw/zinc/00/24/42/950002442.db2.gz UFIPAEUWJKECFK-VHSXEESVSA-N 0 1 384.408 -1.045 20 0 GAADMN C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181378 950001898 /nfs/dbraw/zinc/00/18/98/950001898.db2.gz UFIPAEUWJKECFK-ZJUUUORDSA-N 0 1 384.408 -1.045 20 0 GAADMN CC1CCN(C(=O)C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576181397 950003600 /nfs/dbraw/zinc/00/36/00/950003600.db2.gz UILRWIYUWWRYJV-LLVKDONJSA-N 0 1 389.420 -1.774 20 0 GAADMN CC1CCN(C(=O)C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576181399 950002166 /nfs/dbraw/zinc/00/21/66/950002166.db2.gz UILRWIYUWWRYJV-NSHDSACASA-N 0 1 389.420 -1.774 20 0 GAADMN C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193644 950305129 /nfs/dbraw/zinc/30/51/29/950305129.db2.gz VZURDEHUCCTYGD-GHMZBOCLSA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193646 950308942 /nfs/dbraw/zinc/30/89/42/950308942.db2.gz VZURDEHUCCTYGD-MNOVXSKESA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193648 950309544 /nfs/dbraw/zinc/30/95/44/950309544.db2.gz VZURDEHUCCTYGD-QWRGUYRKSA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193650 950309345 /nfs/dbraw/zinc/30/93/45/950309345.db2.gz VZURDEHUCCTYGD-WDEREUQCSA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576193925 950320073 /nfs/dbraw/zinc/32/00/73/950320073.db2.gz WJORIFBLVXBFQF-NEPJUHHUSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576193925 950320049 /nfs/dbraw/zinc/32/00/49/950320049.db2.gz WJORIFBLVXBFQF-NEPJUHHUSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576193925 950320030 /nfs/dbraw/zinc/32/00/30/950320030.db2.gz WJORIFBLVXBFQF-NEPJUHHUSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576193926 950316468 /nfs/dbraw/zinc/31/64/68/950316468.db2.gz WJORIFBLVXBFQF-NWDGAFQWSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576193926 950316435 /nfs/dbraw/zinc/31/64/35/950316435.db2.gz WJORIFBLVXBFQF-NWDGAFQWSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576193926 950316414 /nfs/dbraw/zinc/31/64/14/950316414.db2.gz WJORIFBLVXBFQF-NWDGAFQWSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576193927 950320458 /nfs/dbraw/zinc/32/04/58/950320458.db2.gz WJORIFBLVXBFQF-RYUDHWBXSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576193927 950320435 /nfs/dbraw/zinc/32/04/35/950320435.db2.gz WJORIFBLVXBFQF-RYUDHWBXSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576193927 950320414 /nfs/dbraw/zinc/32/04/14/950320414.db2.gz WJORIFBLVXBFQF-RYUDHWBXSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576193928 950319468 /nfs/dbraw/zinc/31/94/68/950319468.db2.gz WJORIFBLVXBFQF-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576193928 950319448 /nfs/dbraw/zinc/31/94/48/950319448.db2.gz WJORIFBLVXBFQF-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576193928 950319431 /nfs/dbraw/zinc/31/94/31/950319431.db2.gz WJORIFBLVXBFQF-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576194531 950346373 /nfs/dbraw/zinc/34/63/73/950346373.db2.gz ZUXGREVNPHBGFA-NXEZZACHSA-N 0 1 384.408 -1.188 20 0 GAADMN C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576194532 950349882 /nfs/dbraw/zinc/34/98/82/950349882.db2.gz ZUXGREVNPHBGFA-UWVGGRQHSA-N 0 1 384.408 -1.188 20 0 GAADMN C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576194533 950346423 /nfs/dbraw/zinc/34/64/23/950346423.db2.gz ZUXGREVNPHBGFA-VHSXEESVSA-N 0 1 384.408 -1.188 20 0 GAADMN C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576194534 950345816 /nfs/dbraw/zinc/34/58/16/950345816.db2.gz ZUXGREVNPHBGFA-ZJUUUORDSA-N 0 1 384.408 -1.188 20 0 GAADMN C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196465 950366422 /nfs/dbraw/zinc/36/64/22/950366422.db2.gz FAPRZLJKVGNJFO-GFCCVEGCSA-N 0 1 375.437 -1.347 20 0 GAADMN C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196465 950366402 /nfs/dbraw/zinc/36/64/02/950366402.db2.gz FAPRZLJKVGNJFO-GFCCVEGCSA-N 0 1 375.437 -1.347 20 0 GAADMN C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576196465 950366381 /nfs/dbraw/zinc/36/63/81/950366381.db2.gz FAPRZLJKVGNJFO-GFCCVEGCSA-N 0 1 375.437 -1.347 20 0 GAADMN C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196466 950365710 /nfs/dbraw/zinc/36/57/10/950365710.db2.gz FAPRZLJKVGNJFO-LBPRGKRZSA-N 0 1 375.437 -1.347 20 0 GAADMN C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196466 950365690 /nfs/dbraw/zinc/36/56/90/950365690.db2.gz FAPRZLJKVGNJFO-LBPRGKRZSA-N 0 1 375.437 -1.347 20 0 GAADMN C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576196466 950365669 /nfs/dbraw/zinc/36/56/69/950365669.db2.gz FAPRZLJKVGNJFO-LBPRGKRZSA-N 0 1 375.437 -1.347 20 0 GAADMN CC1CC[NH+](CC(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576204943 950487309 /nfs/dbraw/zinc/48/73/09/950487309.db2.gz DZBGUIGYXKHADA-GFCCVEGCSA-N 0 1 375.437 -1.301 20 0 GAADMN CC1CC[NH+](CC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576204947 950488276 /nfs/dbraw/zinc/48/82/76/950488276.db2.gz DZBGUIGYXKHADA-LBPRGKRZSA-N 0 1 375.437 -1.301 20 0 GAADMN C[C@@H]1CCN(CC(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001576205035 950490746 /nfs/dbraw/zinc/49/07/46/950490746.db2.gz FUBZPRUFWDYSFR-LLVKDONJSA-N 0 1 388.432 -1.160 20 0 GAADMN C[C@H]1CCN(CC(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001576205036 950491680 /nfs/dbraw/zinc/49/16/80/950491680.db2.gz FUBZPRUFWDYSFR-NSHDSACASA-N 0 1 388.432 -1.160 20 0 GAADMN C[C@@H]1CCN(CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001576206515 950569429 /nfs/dbraw/zinc/56/94/29/950569429.db2.gz XEBNMQACROJSRQ-LLVKDONJSA-N 0 1 388.432 -1.160 20 0 GAADMN C[C@H]1CCN(CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001576206518 950571858 /nfs/dbraw/zinc/57/18/58/950571858.db2.gz XEBNMQACROJSRQ-NSHDSACASA-N 0 1 388.432 -1.160 20 0 GAADMN C[C@@H]1CCN(CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001576206948 950583780 /nfs/dbraw/zinc/58/37/80/950583780.db2.gz ZTEWLPGUQKSWPN-LLVKDONJSA-N 0 1 388.432 -1.160 20 0 GAADMN C[C@H]1CCN(CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001576206949 950582603 /nfs/dbraw/zinc/58/26/03/950582603.db2.gz ZTEWLPGUQKSWPN-NSHDSACASA-N 0 1 388.432 -1.160 20 0 GAADMN C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)C1 ZINC001576207637 950602283 /nfs/dbraw/zinc/60/22/83/950602283.db2.gz IBWGNFPMWJUSNK-GDLCADMTSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)C1 ZINC001576207638 950600994 /nfs/dbraw/zinc/60/09/94/950600994.db2.gz IBWGNFPMWJUSNK-HONMWMINSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)C1 ZINC001576207640 950599446 /nfs/dbraw/zinc/59/94/46/950599446.db2.gz IBWGNFPMWJUSNK-LERXQTSPSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)C1 ZINC001576207645 950602189 /nfs/dbraw/zinc/60/21/89/950602189.db2.gz IBWGNFPMWJUSNK-ZLKJLUDKSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576208080 950604466 /nfs/dbraw/zinc/60/44/66/950604466.db2.gz MLVFDLKVFIQUFN-GDLCADMTSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576208081 950605292 /nfs/dbraw/zinc/60/52/92/950605292.db2.gz MLVFDLKVFIQUFN-HONMWMINSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)C1 ZINC001576208726 950616165 /nfs/dbraw/zinc/61/61/65/950616165.db2.gz UYCPULPQCQMSPX-GDLCADMTSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)C1 ZINC001576208727 950618460 /nfs/dbraw/zinc/61/84/60/950618460.db2.gz UYCPULPQCQMSPX-HONMWMINSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)C1 ZINC001576208728 950616513 /nfs/dbraw/zinc/61/65/13/950616513.db2.gz UYCPULPQCQMSPX-LERXQTSPSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)C1 ZINC001576208729 950616965 /nfs/dbraw/zinc/61/69/65/950616965.db2.gz UYCPULPQCQMSPX-ZLKJLUDKSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576217331 950760164 /nfs/dbraw/zinc/76/01/64/950760164.db2.gz MPQGEIXYQCWDHN-HTQZYQBOSA-N 0 1 381.347 -1.281 20 0 GAADMN C[C@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576217332 950758879 /nfs/dbraw/zinc/75/88/79/950758879.db2.gz MPQGEIXYQCWDHN-JGVFFNPUSA-N 0 1 381.347 -1.281 20 0 GAADMN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576217333 950758565 /nfs/dbraw/zinc/75/85/65/950758565.db2.gz MPQGEIXYQCWDHN-SFYZADRCSA-N 0 1 381.347 -1.281 20 0 GAADMN C[C@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576217334 950760755 /nfs/dbraw/zinc/76/07/55/950760755.db2.gz MPQGEIXYQCWDHN-YUMQZZPRSA-N 0 1 381.347 -1.281 20 0 GAADMN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576229892 950984340 /nfs/dbraw/zinc/98/43/40/950984340.db2.gz OQJMFVQQLBZUHS-NOZJJQNGSA-N 0 1 377.430 -1.013 20 0 GAADMN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576229893 950982986 /nfs/dbraw/zinc/98/29/86/950982986.db2.gz OQJMFVQQLBZUHS-RNCFNFMXSA-N 0 1 377.430 -1.013 20 0 GAADMN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576229894 950983025 /nfs/dbraw/zinc/98/30/25/950983025.db2.gz OQJMFVQQLBZUHS-TVQRCGJNSA-N 0 1 377.430 -1.013 20 0 GAADMN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576230033 950982372 /nfs/dbraw/zinc/98/23/72/950982372.db2.gz OQJMFVQQLBZUHS-ZANVPECISA-N 0 1 377.430 -1.013 20 0 GAADMN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576230089 950988565 /nfs/dbraw/zinc/98/85/65/950988565.db2.gz PKCFOASLHSPEKK-GXSJLCMTSA-N 0 1 392.445 -1.228 20 0 GAADMN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576230090 950990477 /nfs/dbraw/zinc/99/04/77/950990477.db2.gz PKCFOASLHSPEKK-KOLCDFICSA-N 0 1 392.445 -1.228 20 0 GAADMN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576230091 950986872 /nfs/dbraw/zinc/98/68/72/950986872.db2.gz PKCFOASLHSPEKK-MWLCHTKSSA-N 0 1 392.445 -1.228 20 0 GAADMN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576230092 950987121 /nfs/dbraw/zinc/98/71/21/950987121.db2.gz PKCFOASLHSPEKK-ONGXEEELSA-N 0 1 392.445 -1.228 20 0 GAADMN Cc1ncncc1C(=O)N(C)C[C@H](O)CN(C)CC(=O)NCc1c[nH]nn1 ZINC001577580217 1075304452 /nfs/dbraw/zinc/30/44/52/1075304452.db2.gz FRUFRFWFQINFQK-CYBMUJFWSA-N 0 1 376.421 -1.416 20 0 GAADMN Cc1ncncc1C(=O)N(C)C[C@@H](O)CN(C)CC(=O)NCc1c[nH]nn1 ZINC001577580218 1075304477 /nfs/dbraw/zinc/30/44/77/1075304477.db2.gz FRUFRFWFQINFQK-ZDUSSCGKSA-N 0 1 376.421 -1.416 20 0 GAADMN Cc1ncncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001577580332 1075304253 /nfs/dbraw/zinc/30/42/53/1075304253.db2.gz HETWCLXNLFKXRT-LERXQTSPSA-N 0 1 375.389 -1.190 20 0 GAADMN Cc1ncncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001577580333 1075304520 /nfs/dbraw/zinc/30/45/20/1075304520.db2.gz HETWCLXNLFKXRT-ZLKJLUDKSA-N 0 1 375.389 -1.190 20 0 GAADMN Cc1ncn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCOCc2c[nH]nn2)C1 ZINC001577580549 1075304511 /nfs/dbraw/zinc/30/45/11/1075304511.db2.gz OEMZSXBYXCJRPM-CHWSQXEVSA-N 0 1 377.405 -1.245 20 0 GAADMN Cc1ncn(C)c1C(=O)NCCN1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577580615 1075304290 /nfs/dbraw/zinc/30/42/90/1075304290.db2.gz QFVXVDPKOLWGHS-UHFFFAOYSA-N 0 1 389.464 -1.490 20 0 GAADMN Cc1ncncc1C(=O)NCCN1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577580644 1075304502 /nfs/dbraw/zinc/30/45/02/1075304502.db2.gz QSWKXEVVIKGEQA-UHFFFAOYSA-N 0 1 387.448 -1.433 20 0 GAADMN Cc1ncncc1C(=O)N1CCOC2(CN(CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577580663 1075304919 /nfs/dbraw/zinc/30/49/19/1075304919.db2.gz QZPQLIJGDFAMRA-UHFFFAOYSA-N 0 1 386.416 -1.254 20 0 GAADMN Cc1ncn(C)c1C(=O)NCC1(O)CN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577580666 1075304906 /nfs/dbraw/zinc/30/49/06/1075304906.db2.gz RANGQASSLUWFQL-UHFFFAOYSA-N 0 1 377.405 -1.243 20 0 GAADMN Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)OCc2c[nH]nn2)C[C@@H]1O ZINC001577580667 1075304891 /nfs/dbraw/zinc/30/48/91/1075304891.db2.gz RBJQEBVJUSETQF-RTXFEEFZSA-N 0 1 377.405 -1.247 20 0 GAADMN Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)OCc2c[nH]nn2)C[C@@H]1O ZINC001577580668 1075304881 /nfs/dbraw/zinc/30/48/81/1075304881.db2.gz RBJQEBVJUSETQF-UHTWSYAYSA-N 0 1 377.405 -1.247 20 0 GAADMN Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577581011 1075304942 /nfs/dbraw/zinc/30/49/42/1075304942.db2.gz XAZOYQLRFQFAQN-CHWSQXEVSA-N 0 1 388.388 -2.089 20 0 GAADMN Cc1ncoc1C(=O)NCCN1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577583333 1075304930 /nfs/dbraw/zinc/30/49/30/1075304930.db2.gz MTFICEDBCQGAQJ-UHFFFAOYSA-N 0 1 376.421 -1.235 20 0 GAADMN Cc1ncoc1C(=O)N1CCOC2(CN(CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577583695 1075304912 /nfs/dbraw/zinc/30/49/12/1075304912.db2.gz SBZFPSYCVBHFAE-UHFFFAOYSA-N 0 1 375.389 -1.056 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)NC[C@H]1COCCN1CC(=O)NCc1c[nH]nn1 ZINC001577589111 1075304871 /nfs/dbraw/zinc/30/48/71/1075304871.db2.gz CPFNURRSKABSPC-AWEZNQCLSA-N 0 1 390.448 -1.098 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)NC[C@@H]1COCCN1CC(=O)NCc1c[nH]nn1 ZINC001577589112 1075304806 /nfs/dbraw/zinc/30/48/06/1075304806.db2.gz CPFNURRSKABSPC-CQSZACIVSA-N 0 1 390.448 -1.098 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N[C@@H](CO)CNC(=O)CCOCc1c[nH]nn1 ZINC001577589651 1075304844 /nfs/dbraw/zinc/30/48/44/1075304844.db2.gz KLJCVFHTUKRWKJ-GFCCVEGCSA-N 0 1 379.421 -1.031 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N[C@H](CO)CNC(=O)CCOCc1c[nH]nn1 ZINC001577589652 1075304787 /nfs/dbraw/zinc/30/47/87/1075304787.db2.gz KLJCVFHTUKRWKJ-LBPRGKRZSA-N 0 1 379.421 -1.031 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N[C@H](CO)CNC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001577589827 1075304828 /nfs/dbraw/zinc/30/48/28/1075304828.db2.gz MPYHZOJQFBYUMP-NEPJUHHUSA-N 0 1 379.421 -1.033 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N[C@@H](CO)CNC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001577589828 1075304863 /nfs/dbraw/zinc/30/48/63/1075304863.db2.gz MPYHZOJQFBYUMP-NWDGAFQWSA-N 0 1 379.421 -1.033 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N[C@H](CO)CNC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001577589829 1075305310 /nfs/dbraw/zinc/30/53/10/1075305310.db2.gz MPYHZOJQFBYUMP-RYUDHWBXSA-N 0 1 379.421 -1.033 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N[C@@H](CO)CNC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001577589830 1075305348 /nfs/dbraw/zinc/30/53/48/1075305348.db2.gz MPYHZOJQFBYUMP-VXGBXAGGSA-N 0 1 379.421 -1.033 20 0 GAADMN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)c1C ZINC001577589913 1075305237 /nfs/dbraw/zinc/30/52/37/1075305237.db2.gz OSYNVTHEGVWSOH-GFCCVEGCSA-N 0 1 388.432 -1.364 20 0 GAADMN Cc1nn(C)c(=O)c(C(=O)NCC2CN(CC(=O)NCc3c[nH]nn3)C2)c1C ZINC001577590037 1075305227 /nfs/dbraw/zinc/30/52/27/1075305227.db2.gz PUCHGUHYFMTUMG-UHFFFAOYSA-N 0 1 388.432 -1.507 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)NC[C@H](O)CNC(=O)CCOCc1c[nH]nn1 ZINC001577590490 1075305331 /nfs/dbraw/zinc/30/53/31/1075305331.db2.gz WFHQJMXZMLNRAS-CYBMUJFWSA-N 0 1 379.421 -1.031 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)CNC(=O)CCOCc1c[nH]nn1 ZINC001577590491 1075305193 /nfs/dbraw/zinc/30/51/93/1075305193.db2.gz WFHQJMXZMLNRAS-ZDUSSCGKSA-N 0 1 379.421 -1.031 20 0 GAADMN Cc1nn(C)c(C)c1CC(=O)NC1CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577592934 1075305251 /nfs/dbraw/zinc/30/52/51/1075305251.db2.gz FARMMBJVLDTJAU-UHFFFAOYSA-N 0 1 388.432 -1.269 20 0 GAADMN Cc1nn(C)c(C)c1OCC(=O)N(C)C1CN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577593012 1075305322 /nfs/dbraw/zinc/30/53/22/1075305322.db2.gz HIVNVESNXFGCLI-UHFFFAOYSA-N 0 1 390.448 -1.007 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001577593258 1075305182 /nfs/dbraw/zinc/30/51/82/1075305182.db2.gz MYWMLYPRFUDYQE-MVWJERBFSA-N 0 1 395.395 -1.107 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001577593259 1075305339 /nfs/dbraw/zinc/30/53/39/1075305339.db2.gz MYWMLYPRFUDYQE-YUSALJHKSA-N 0 1 395.395 -1.107 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)N[C@H](C)CNC(=O)CC(=O)NCc1c[nH]nn1 ZINC001577593481 1075305169 /nfs/dbraw/zinc/30/51/69/1075305169.db2.gz UGLHCYRQRLHDPL-MRVPVSSYSA-N 0 1 380.384 -1.073 20 0 GAADMN Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1O ZINC001577596260 1075305280 /nfs/dbraw/zinc/30/52/80/1075305280.db2.gz CPEILQQVTSBXOO-ZIAGYGMSSA-N 0 1 377.405 -1.245 20 0 GAADMN Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)OCc2c[nH]nn2)C[C@@H]1O ZINC001577596286 1075305593 /nfs/dbraw/zinc/30/55/93/1075305593.db2.gz DFNGAEZIKKSNGT-DFBGVHRSSA-N 0 1 391.432 -1.318 20 0 GAADMN Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)OCc2c[nH]nn2)C[C@@H]1O ZINC001577596287 1075305817 /nfs/dbraw/zinc/30/58/17/1075305817.db2.gz DFNGAEZIKKSNGT-GLQYFDAESA-N 0 1 391.432 -1.318 20 0 GAADMN Cc1nn(CC(=O)N(C)CCNC(=O)[C@H](C)OCc2c[nH]nn2)c(=O)n1C ZINC001577596336 1075305669 /nfs/dbraw/zinc/30/56/69/1075305669.db2.gz FXYRMSGWWSTJAZ-JTQLQIEISA-N 0 1 380.409 -1.812 20 0 GAADMN Cc1nn(CC(=O)N(C)CCNC(=O)[C@@H](C)OCc2c[nH]nn2)c(=O)n1C ZINC001577596337 1075305635 /nfs/dbraw/zinc/30/56/35/1075305635.db2.gz FXYRMSGWWSTJAZ-SNVBAGLBSA-N 0 1 380.409 -1.812 20 0 GAADMN Cc1nn(C)cc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577596338 1075305656 /nfs/dbraw/zinc/30/56/56/1075305656.db2.gz FYCTUUHCCBSANC-HIFRSBDPSA-N 0 1 390.448 -1.282 20 0 GAADMN Cc1nn(C)cc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577596339 1075305678 /nfs/dbraw/zinc/30/56/78/1075305678.db2.gz FYCTUUHCCBSANC-ZFWWWQNUSA-N 0 1 390.448 -1.282 20 0 GAADMN Cc1nn(C)cc1C(=O)NC[C@@]1(O)CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577596347 1075305797 /nfs/dbraw/zinc/30/57/97/1075305797.db2.gz GHAWKBIHKIWZPQ-INIZCTEOSA-N 0 1 376.421 -1.670 20 0 GAADMN Cc1nn(C)cc1C(=O)NC[C@]1(O)CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577596348 1075305748 /nfs/dbraw/zinc/30/57/48/1075305748.db2.gz GHAWKBIHKIWZPQ-MRXNPFEDSA-N 0 1 376.421 -1.670 20 0 GAADMN Cc1nn(C)cc1CC(=O)N1C[C@@H](NC(=O)[C@@H](C)OCc2c[nH]nn2)[C@@H](O)C1 ZINC001577596374 1075305692 /nfs/dbraw/zinc/30/56/92/1075305692.db2.gz GUWXZHRPUHSXGP-DFBGVHRSSA-N 0 1 391.432 -1.318 20 0 GAADMN Cc1nn(C)cc1CC(=O)N1C[C@@H](NC(=O)[C@H](C)OCc2c[nH]nn2)[C@@H](O)C1 ZINC001577596375 1075305647 /nfs/dbraw/zinc/30/56/47/1075305647.db2.gz GUWXZHRPUHSXGP-GLQYFDAESA-N 0 1 391.432 -1.318 20 0 GAADMN Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)CN(C)CC(=O)NCc1c[nH]nn1 ZINC001577596992 1075305606 /nfs/dbraw/zinc/30/56/06/1075305606.db2.gz SDGDMCGHCXQWFJ-HNNXBMFYSA-N 0 1 392.464 -1.543 20 0 GAADMN Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)CN(C)CC(=O)NCc1c[nH]nn1 ZINC001577596997 1075305717 /nfs/dbraw/zinc/30/57/17/1075305717.db2.gz SDGDMCGHCXQWFJ-OAHLLOKOSA-N 0 1 392.464 -1.543 20 0 GAADMN Cc1nnc(CC(=O)N2CCC(N(Cc3c[nH]nn3)C(=O)C(N)=O)CC2)o1 ZINC001577599309 1075305836 /nfs/dbraw/zinc/30/58/36/1075305836.db2.gz AWYUVPKMPITIKK-UHFFFAOYSA-N 0 1 376.377 -1.456 20 0 GAADMN Cc1nn(CC(=O)N2CC(NC(=O)CCCCc3cn[nH]n3)C2)c(=O)n1C ZINC001577599362 1075305786 /nfs/dbraw/zinc/30/57/86/1075305786.db2.gz CBDRVABNKXTGPA-UHFFFAOYSA-N 0 1 376.421 -1.252 20 0 GAADMN Cc1nn2cccnc2c1C(=O)N[C@@H]1CN(CC(=O)NCc2c[nH]nn2)C[C@@H]1O ZINC001577599397 1075305854 /nfs/dbraw/zinc/30/58/54/1075305854.db2.gz CQGONVDQGNGJBU-OLZOCXBDSA-N 0 1 399.415 -1.753 20 0 GAADMN Cc1nn(CC(=O)NC2CN([C@H](C)C(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599414 1075305862 /nfs/dbraw/zinc/30/58/62/1075305862.db2.gz DHKQOQMXVXQEQW-SECBINFHSA-N 0 1 377.409 -2.486 20 0 GAADMN Cc1nn(CC(=O)NC2CN([C@@H](C)C(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599415 1075306269 /nfs/dbraw/zinc/30/62/69/1075306269.db2.gz DHKQOQMXVXQEQW-VIFPVBQESA-N 0 1 377.409 -2.486 20 0 GAADMN Cc1nn(CC(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599442 1075306354 /nfs/dbraw/zinc/30/63/54/1075306354.db2.gz DYGAPAJKPJGAAL-STQMWFEESA-N 0 1 389.420 -2.390 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2CCN(CC(=O)NCc3c[nH]nn3)[C@@H]2C)c(=O)n1C ZINC001577599480 1075306059 /nfs/dbraw/zinc/30/60/59/1075306059.db2.gz GBOUPTLJPPLHMV-MFKMUULPSA-N 0 1 391.436 -2.096 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)CN(C)CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599489 1075306311 /nfs/dbraw/zinc/30/63/11/1075306311.db2.gz GHGHLFOWUJRHAL-JTQLQIEISA-N 0 1 379.425 -2.239 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)CN(C)CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599490 1075306073 /nfs/dbraw/zinc/30/60/73/1075306073.db2.gz GHGHLFOWUJRHAL-SNVBAGLBSA-N 0 1 379.425 -2.239 20 0 GAADMN Cc1nnc(CC(=O)N2CC(O)(CNC(=O)CCOCc3c[nH]nn3)C2)o1 ZINC001577599497 1075306341 /nfs/dbraw/zinc/30/63/41/1075306341.db2.gz GMSUNGBQOYNIGW-UHFFFAOYSA-N 0 1 379.377 -1.665 20 0 GAADMN Cc1nn(CC(=O)NC[C@H]2CCN2C(=O)CCCc2cnn[nH]2)c(=O)n1C ZINC001577599576 1075306152 /nfs/dbraw/zinc/30/61/52/1075306152.db2.gz ILYPQSMHDMDWNX-CYBMUJFWSA-N 0 1 376.421 -1.252 20 0 GAADMN Cc1nn(CC(=O)NC[C@H]2CCN2C(=O)CCCc2c[nH]nn2)c(=O)n1C ZINC001577599576 1075306148 /nfs/dbraw/zinc/30/61/48/1075306148.db2.gz ILYPQSMHDMDWNX-CYBMUJFWSA-N 0 1 376.421 -1.252 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H]2CCN2C(=O)CCCc2cnn[nH]2)c(=O)n1C ZINC001577599577 1075306138 /nfs/dbraw/zinc/30/61/38/1075306138.db2.gz ILYPQSMHDMDWNX-ZDUSSCGKSA-N 0 1 376.421 -1.252 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H]2CCN2C(=O)CCCc2c[nH]nn2)c(=O)n1C ZINC001577599577 1075306131 /nfs/dbraw/zinc/30/61/31/1075306131.db2.gz ILYPQSMHDMDWNX-ZDUSSCGKSA-N 0 1 376.421 -1.252 20 0 GAADMN Cc1nn(CC(=O)N(C)CCNC(=O)CCOCc2c[nH]nn2)c(=O)n1C ZINC001577599607 1075306259 /nfs/dbraw/zinc/30/62/59/1075306259.db2.gz JGPZPFKTFIOIFB-UHFFFAOYSA-N 0 1 380.409 -1.810 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)C2CN(CC(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599650 1075306366 /nfs/dbraw/zinc/30/63/66/1075306366.db2.gz LFDZCWKUVUPORW-JTQLQIEISA-N 0 1 391.436 -2.239 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)C2CN(CC(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599651 1075306115 /nfs/dbraw/zinc/30/61/15/1075306115.db2.gz LFDZCWKUVUPORW-SNVBAGLBSA-N 0 1 391.436 -2.239 20 0 GAADMN Cc1nn(CC(=O)N2CC[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599663 1075306099 /nfs/dbraw/zinc/30/60/99/1075306099.db2.gz LKNXBIXTROUENI-LBPRGKRZSA-N 0 1 392.420 -1.668 20 0 GAADMN Cc1nn(CC(=O)NC[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)c(=O)n1C ZINC001577599666 1075306173 /nfs/dbraw/zinc/30/61/73/1075306173.db2.gz LNXYRUCWDIPILL-CYBMUJFWSA-N 0 1 390.448 -1.004 20 0 GAADMN Cc1nn(CC(=O)NC[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599666 1075306167 /nfs/dbraw/zinc/30/61/67/1075306167.db2.gz LNXYRUCWDIPILL-CYBMUJFWSA-N 0 1 390.448 -1.004 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)c(=O)n1C ZINC001577599667 1075306283 /nfs/dbraw/zinc/30/62/83/1075306283.db2.gz LNXYRUCWDIPILL-ZDUSSCGKSA-N 0 1 390.448 -1.004 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599667 1075306279 /nfs/dbraw/zinc/30/62/79/1075306279.db2.gz LNXYRUCWDIPILL-ZDUSSCGKSA-N 0 1 390.448 -1.004 20 0 GAADMN Cc1nn(CC(=O)N2CC(CNC(=O)CCCCc3cn[nH]n3)C2)c(=O)n1C ZINC001577599795 1075306228 /nfs/dbraw/zinc/30/62/28/1075306228.db2.gz LZOZGQMEFVZGGS-UHFFFAOYSA-N 0 1 390.448 -1.004 20 0 GAADMN Cc1nn(CC(=O)NCC2CN([C@@H](C)C(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599943 1075306599 /nfs/dbraw/zinc/30/65/99/1075306599.db2.gz OBDSCJJYGFPYNG-JTQLQIEISA-N 0 1 391.436 -2.239 20 0 GAADMN Cc1nn(CC(=O)NCC2CN([C@H](C)C(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577599944 1075306657 /nfs/dbraw/zinc/30/66/57/1075306657.db2.gz OBDSCJJYGFPYNG-SNVBAGLBSA-N 0 1 391.436 -2.239 20 0 GAADMN Cc1nn(CC(=O)N[C@@]2(CO)CCCN(CCc3cn[nH]n3)C2)c(=O)n1C ZINC001577600015 1075306726 /nfs/dbraw/zinc/30/67/26/1075306726.db2.gz OTVPKAUJRJQPIP-INIZCTEOSA-N 0 1 378.437 -1.806 20 0 GAADMN Cc1nn(CC(=O)N[C@]2(CO)CCCN(CCc3cn[nH]n3)C2)c(=O)n1C ZINC001577600016 1075306693 /nfs/dbraw/zinc/30/66/93/1075306693.db2.gz OTVPKAUJRJQPIP-MRXNPFEDSA-N 0 1 378.437 -1.806 20 0 GAADMN Cc1nn(CC(=O)N[C@@H]2CCCN(CC(=O)NCc3c[nH]nn3)C2)c(=O)n1C ZINC001577600398 1075306640 /nfs/dbraw/zinc/30/66/40/1075306640.db2.gz UKNCAIPHDFOHHE-GFCCVEGCSA-N 0 1 391.436 -2.095 20 0 GAADMN Cc1nn(CC(=O)NCC2(NC(=O)[C@H](C)OCc3c[nH]nn3)CC2)c(=O)n1C ZINC001577600545 1075306762 /nfs/dbraw/zinc/30/67/62/1075306762.db2.gz WRKVVHJXDPRRJS-JTQLQIEISA-N 0 1 392.420 -1.621 20 0 GAADMN Cc1nn(CC(=O)NCC2(NC(=O)[C@@H](C)OCc3c[nH]nn3)CC2)c(=O)n1C ZINC001577600548 1075306573 /nfs/dbraw/zinc/30/65/73/1075306573.db2.gz WRKVVHJXDPRRJS-SNVBAGLBSA-N 0 1 392.420 -1.621 20 0 GAADMN Cc1nn(CC(=O)N(C)CCNC(=O)CCCCc2cn[nH]n2)c(=O)n1C ZINC001577600587 1075306646 /nfs/dbraw/zinc/30/66/46/1075306646.db2.gz XBHRWSHMHLGOGY-UHFFFAOYSA-N 0 1 378.437 -1.004 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)c(=O)n1C ZINC001577600693 1075306604 /nfs/dbraw/zinc/30/66/04/1075306604.db2.gz XZSWPBGPQIBBRC-ZDUSSCGKSA-N 0 1 376.421 -1.252 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)c(=O)n1C ZINC001577600693 1075306602 /nfs/dbraw/zinc/30/66/02/1075306602.db2.gz XZSWPBGPQIBBRC-ZDUSSCGKSA-N 0 1 376.421 -1.252 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2C[C@H](NC(=O)CCCc3cnn[nH]3)C2)c(=O)n1C ZINC001577600756 1075306585 /nfs/dbraw/zinc/30/65/85/1075306585.db2.gz ZIMRJHYMZXDRNL-JOCQHMNTSA-N 0 1 376.421 -1.205 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2C[C@H](NC(=O)CCCc3c[nH]nn3)C2)c(=O)n1C ZINC001577600756 1075306581 /nfs/dbraw/zinc/30/65/81/1075306581.db2.gz ZIMRJHYMZXDRNL-JOCQHMNTSA-N 0 1 376.421 -1.205 20 0 GAADMN Cc1nnc(CC(=O)NC[C@H]2CN([C@@H](C)C(=O)NCc3c[nH]nn3)CCO2)o1 ZINC001577602374 1075306666 /nfs/dbraw/zinc/30/66/66/1075306666.db2.gz JYKRXDMWAQVHCJ-GWCFXTLKSA-N 0 1 392.420 -1.439 20 0 GAADMN Cc1nnc(CC(=O)NC[C@@H]2CN([C@@H](C)C(=O)NCc3c[nH]nn3)CCO2)o1 ZINC001577602375 1075307070 /nfs/dbraw/zinc/30/70/70/1075307070.db2.gz JYKRXDMWAQVHCJ-GXFFZTMASA-N 0 1 392.420 -1.439 20 0 GAADMN Cc1nnc(CC(=O)NC[C@H]2CN([C@H](C)C(=O)NCc3c[nH]nn3)CCO2)o1 ZINC001577602377 1075307187 /nfs/dbraw/zinc/30/71/87/1075307187.db2.gz JYKRXDMWAQVHCJ-MFKMUULPSA-N 0 1 392.420 -1.439 20 0 GAADMN Cc1nnc(CC(=O)NC[C@@H]2CN([C@H](C)C(=O)NCc3c[nH]nn3)CCO2)o1 ZINC001577602378 1075307103 /nfs/dbraw/zinc/30/71/03/1075307103.db2.gz JYKRXDMWAQVHCJ-ZWNOBZJWSA-N 0 1 392.420 -1.439 20 0 GAADMN Cc1nnc(CC(=O)N[C@H]2CCN(C(=O)CC(=O)NCc3c[nH]nn3)C2)o1 ZINC001577603028 1075307226 /nfs/dbraw/zinc/30/72/26/1075307226.db2.gz TWFAALLDDVJNGJ-JTQLQIEISA-N 0 1 376.377 -1.538 20 0 GAADMN Cc1nnc(CC(=O)N[C@@H]2CCN(C(=O)CC(=O)NCc3c[nH]nn3)C2)o1 ZINC001577603030 1075307242 /nfs/dbraw/zinc/30/72/42/1075307242.db2.gz TWFAALLDDVJNGJ-SNVBAGLBSA-N 0 1 376.377 -1.538 20 0 GAADMN Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)CCOCc3c[nH]nn3)C[C@H]2O)o1 ZINC001577603106 1075307167 /nfs/dbraw/zinc/30/71/67/1075307167.db2.gz VOTKFZQWNLWFDN-VXGBXAGGSA-N 0 1 379.377 -1.667 20 0 GAADMN Cc1nnc(COCC(=O)NC2CN(CC(=O)NCc3c[nH]nn3)C2)s1 ZINC001577604595 1075307154 /nfs/dbraw/zinc/30/71/54/1075307154.db2.gz CQWMPXLUXWILDX-UHFFFAOYSA-N 0 1 380.434 -1.402 20 0 GAADMN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)OCc2c[nH]nn2)C[C@@H]1O ZINC001577606954 1075307139 /nfs/dbraw/zinc/30/71/39/1075307139.db2.gz AJSOJANGRHOLPN-GDPRMGEGSA-N 0 1 381.418 -1.129 20 0 GAADMN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)OCc2c[nH]nn2)C[C@@H]1O ZINC001577606955 1075307088 /nfs/dbraw/zinc/30/70/88/1075307088.db2.gz AJSOJANGRHOLPN-IEBDPFPHSA-N 0 1 381.418 -1.129 20 0 GAADMN Cc1nnccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577607236 1075307235 /nfs/dbraw/zinc/30/72/35/1075307235.db2.gz JVSPIZNKFVAMHF-HIFRSBDPSA-N 0 1 388.432 -1.225 20 0 GAADMN Cc1nnccc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577607237 1075307054 /nfs/dbraw/zinc/30/70/54/1075307054.db2.gz JVSPIZNKFVAMHF-ZFWWWQNUSA-N 0 1 388.432 -1.225 20 0 GAADMN Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@@H]1O ZINC001577607305 1075307042 /nfs/dbraw/zinc/30/70/42/1075307042.db2.gz LGQULFHNIZCTQF-ZJUUUORDSA-N 0 1 394.417 -2.027 20 0 GAADMN Cc1nnccc1C(=O)N[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1O ZINC001577607358 1075307175 /nfs/dbraw/zinc/30/71/75/1075307175.db2.gz MUFIXJUDIMOIMJ-ZIAGYGMSSA-N 0 1 375.389 -1.188 20 0 GAADMN Cc1nnccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577607380 1075307652 /nfs/dbraw/zinc/30/76/52/1075307652.db2.gz NFTZMZSHHNFSJZ-VIKVFOODSA-N 0 1 384.400 -1.204 20 0 GAADMN Cc1nnccc1C(=O)NCCN1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577607694 1075307636 /nfs/dbraw/zinc/30/76/36/1075307636.db2.gz WNOOTPZOSQCHRQ-UHFFFAOYSA-N 0 1 387.448 -1.433 20 0 GAADMN CCCN(CCNC(=O)CN1CCOCC1=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001577608849 1075307520 /nfs/dbraw/zinc/30/75/20/1075307520.db2.gz FURUHYCUYJCKQM-UHFFFAOYSA-N 0 1 389.420 -1.152 20 0 GAADMN CCCN(CCNC(=O)CN1CCNC(=O)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001577608913 1075307702 /nfs/dbraw/zinc/30/77/02/1075307702.db2.gz IEDIKSWBENRTPX-UHFFFAOYSA-N 0 1 388.436 -1.579 20 0 GAADMN CCCN(CCNC(=O)CS(=O)(=O)NC)c1ccnc(-c2nn[nH]n2)n1 ZINC001577609376 1075307567 /nfs/dbraw/zinc/30/75/67/1075307567.db2.gz YVAORYKGOGCKLT-UHFFFAOYSA-N 0 1 383.438 -1.462 20 0 GAADMN Cc1noc(CCCC(=O)NC2CN(C(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577617121 1075307611 /nfs/dbraw/zinc/30/76/11/1075307611.db2.gz NZTZZYQTMGPFOA-UHFFFAOYSA-N 0 1 390.404 -1.148 20 0 GAADMN Cc1noc(CCC(=O)N[C@@H](C)CNC(=O)CC(=O)NCc2c[nH]nn2)n1 ZINC001577617291 1075307549 /nfs/dbraw/zinc/30/75/49/1075307549.db2.gz UTFFWXVIFWFKRS-VIFPVBQESA-N 0 1 378.393 -1.244 20 0 GAADMN Cc1nonc1C(=O)N1CCN(CCc2c[nH]nn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001577622735 1075308051 /nfs/dbraw/zinc/30/80/51/1075308051.db2.gz KOSXPJGUSROZIS-NWDGAFQWSA-N 0 1 381.418 -1.338 20 0 GAADMN Cc1nonc1C(=O)NC1(CO)CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577622996 1075308068 /nfs/dbraw/zinc/30/80/68/1075308068.db2.gz PMDUYIXYBRRYKU-UHFFFAOYSA-N 0 1 378.393 -1.631 20 0 GAADMN Cc1nonc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577623078 1075308089 /nfs/dbraw/zinc/30/80/89/1075308089.db2.gz RKZWYTFBWOAEQP-NEPJUHHUSA-N 0 1 378.393 -1.632 20 0 GAADMN Cc1nonc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577623079 1075308015 /nfs/dbraw/zinc/30/80/15/1075308015.db2.gz RKZWYTFBWOAEQP-RYUDHWBXSA-N 0 1 378.393 -1.632 20 0 GAADMN Cc1nonc1C(=O)N(C)C[C@H](O)CN(C)C(=O)CCOCc1c[nH]nn1 ZINC001577623220 1075307975 /nfs/dbraw/zinc/30/79/75/1075307975.db2.gz XKXLRTBGFVJHBG-GFCCVEGCSA-N 0 1 381.393 -1.006 20 0 GAADMN Cc1nonc1C(=O)N(C)C[C@@H](O)CN(C)C(=O)CCOCc1c[nH]nn1 ZINC001577623221 1075308026 /nfs/dbraw/zinc/30/80/26/1075308026.db2.gz XKXLRTBGFVJHBG-LBPRGKRZSA-N 0 1 381.393 -1.006 20 0 GAADMN Cc1nonc1CN1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)[C@@H](O)C1 ZINC001577625124 1075308168 /nfs/dbraw/zinc/30/81/68/1075308168.db2.gz AWTGZDZBYOFDMX-ILXRZTDVSA-N 0 1 376.421 -1.178 20 0 GAADMN Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577625131 1075307985 /nfs/dbraw/zinc/30/79/85/1075307985.db2.gz BAPNRDAZRDZBBJ-LLVKDONJSA-N 0 1 392.376 -1.840 20 0 GAADMN Cc1nonc1C(=O)NC[C@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577625132 1075308158 /nfs/dbraw/zinc/30/81/58/1075308158.db2.gz BAPNRDAZRDZBBJ-NSHDSACASA-N 0 1 392.376 -1.840 20 0 GAADMN Cc1nonc1C(=O)NC[C@H]1CCCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577625493 1075308078 /nfs/dbraw/zinc/30/80/78/1075308078.db2.gz LTDKYEBVKNKWAV-LLVKDONJSA-N 0 1 376.377 -1.077 20 0 GAADMN Cc1nonc1C(=O)NC[C@@H]1CCCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577625494 1075308007 /nfs/dbraw/zinc/30/80/07/1075308007.db2.gz LTDKYEBVKNKWAV-NSHDSACASA-N 0 1 376.377 -1.077 20 0 GAADMN Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@H]1C ZINC001577625553 1075308040 /nfs/dbraw/zinc/30/80/40/1075308040.db2.gz NVUVRTYSHVILQE-NOZJJQNGSA-N 0 1 390.404 -1.292 20 0 GAADMN Cc1nonc1CC(=O)NC[C@@H](NC(=O)CC(=O)NCc1c[nH]nn1)C1CC1 ZINC001577625582 1075307996 /nfs/dbraw/zinc/30/79/96/1075307996.db2.gz PASUDBZAYYWUFA-CYBMUJFWSA-N 0 1 390.404 -1.244 20 0 GAADMN Cc1nonc1CC(=O)NC[C@H](NC(=O)CC(=O)NCc1c[nH]nn1)C1CC1 ZINC001577625583 1075308127 /nfs/dbraw/zinc/30/81/27/1075308127.db2.gz PASUDBZAYYWUFA-ZDUSSCGKSA-N 0 1 390.404 -1.244 20 0 GAADMN Cc1nonc1CC(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)C(N)=O)CC1 ZINC001577625602 1075308139 /nfs/dbraw/zinc/30/81/39/1075308139.db2.gz PMPRMUFINLTVBX-UHFFFAOYSA-N 0 1 376.377 -1.456 20 0 GAADMN Cc1nonc1CC(=O)N[C@H]1CCN(C(=O)CC(=O)NCc2c[nH]nn2)[C@@H]1C ZINC001577625704 1075307966 /nfs/dbraw/zinc/30/79/66/1075307966.db2.gz QTXIBGWCCLENKH-PWSUYJOCSA-N 0 1 390.404 -1.149 20 0 GAADMN Cc1nonc1CC(=O)N1CC[C@H](CNC(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577625780 1075308115 /nfs/dbraw/zinc/30/81/15/1075308115.db2.gz RSNIYAUQQUAAOP-LLVKDONJSA-N 0 1 390.404 -1.290 20 0 GAADMN Cc1nonc1CC(=O)N1CC[C@@H](CNC(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577625781 1075308178 /nfs/dbraw/zinc/30/81/78/1075308178.db2.gz RSNIYAUQQUAAOP-NSHDSACASA-N 0 1 390.404 -1.290 20 0 GAADMN Cc1nonc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577625924 1075308105 /nfs/dbraw/zinc/30/81/05/1075308105.db2.gz SVKXAERKIALGOQ-CNDDSTCGSA-N 0 1 388.388 -1.363 20 0 GAADMN Cc1occc1C(=O)NCC(=O)N[C@@H]1CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577632826 1075308556 /nfs/dbraw/zinc/30/85/56/1075308556.db2.gz FPFPMBDPPVBPCA-GFCCVEGCSA-N 0 1 389.416 -1.057 20 0 GAADMN Cc1ocnc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577636000 1075308606 /nfs/dbraw/zinc/30/86/06/1075308606.db2.gz URFRWROYPYADDR-OLZOCXBDSA-N 0 1 377.405 -1.027 20 0 GAADMN Cc1ocnc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577636001 1075308746 /nfs/dbraw/zinc/30/87/46/1075308746.db2.gz URFRWROYPYADDR-STQMWFEESA-N 0 1 377.405 -1.027 20 0 GAADMN Cn1c(C(=O)NC[C@H](O)CNC(=O)c2cncc(-c3cn[nH]n3)c2)c[nH]c1=O ZINC001577643805 1075308481 /nfs/dbraw/zinc/30/84/81/1075308481.db2.gz BRSIWEHDRHBSGU-LLVKDONJSA-N 0 1 386.372 -1.174 20 0 GAADMN Cn1c(C(=O)NC[C@@H](O)CNC(=O)c2cncc(-c3cn[nH]n3)c2)c[nH]c1=O ZINC001577643808 1075308684 /nfs/dbraw/zinc/30/86/84/1075308684.db2.gz BRSIWEHDRHBSGU-NSHDSACASA-N 0 1 386.372 -1.174 20 0 GAADMN Cn1c(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4cn[nH]n4)cn3)[C@@H](O)C2)c[nH]c1=O ZINC001577643830 1075308439 /nfs/dbraw/zinc/30/84/39/1075308439.db2.gz BVMQQUOXVQMCLQ-OCCSQVGLSA-N 0 1 398.383 -1.079 20 0 GAADMN Cn1c(C(=O)N2CCN(CCc3c[nH]nn3)[C@H]3CS(=O)(=O)C[C@H]32)c[nH]c1=O ZINC001577643866 1075308540 /nfs/dbraw/zinc/30/85/40/1075308540.db2.gz CJZATYZWNDKEOY-QWHCGFSZSA-N 0 1 395.445 -1.590 20 0 GAADMN Cn1c(=O)cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2c[nH]nn2)n(C)c1=O ZINC001577643937 1075308710 /nfs/dbraw/zinc/30/87/10/1075308710.db2.gz DFWLSATVFGTFDZ-HALDLXJZSA-N 0 1 387.444 -1.229 20 0 GAADMN Cn1c(=O)cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2c[nH]nn2)n(C)c1=O ZINC001577643937 1075308703 /nfs/dbraw/zinc/30/87/03/1075308703.db2.gz DFWLSATVFGTFDZ-HALDLXJZSA-N 0 1 387.444 -1.229 20 0 GAADMN Cn1c(C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(=O)NCc4c[nH]nn4)C[C@H]32)c[nH]c1=O ZINC001577643972 1075308527 /nfs/dbraw/zinc/30/85/27/1075308527.db2.gz FDMUTWCMKLVAMJ-MSRIBSCDSA-N 0 1 388.388 -1.863 20 0 GAADMN Cn1c(=O)cccc1C(=O)NC1(CCO)CN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577644075 1075308623 /nfs/dbraw/zinc/30/86/23/1075308623.db2.gz FDQMGZUZJSLZPP-UHFFFAOYSA-N 0 1 389.416 -2.014 20 0 GAADMN Cn1c(C(=O)N2CCC[C@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)c[nH]c1=O ZINC001577644098 1075308493 /nfs/dbraw/zinc/30/84/93/1075308493.db2.gz GKSUPSYRGHEVHI-JTQLQIEISA-N 0 1 390.404 -1.329 20 0 GAADMN Cn1c(C(=O)N2CCC[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)c[nH]c1=O ZINC001577644099 1075308470 /nfs/dbraw/zinc/30/84/70/1075308470.db2.gz GKSUPSYRGHEVHI-SNVBAGLBSA-N 0 1 390.404 -1.329 20 0 GAADMN Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577644197 1075308593 /nfs/dbraw/zinc/30/85/93/1075308593.db2.gz IYXXHAQLHVPEFE-JTQLQIEISA-N 0 1 391.388 -1.458 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N2CC[C@@H](NC(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577644242 1075309105 /nfs/dbraw/zinc/30/91/05/1075309105.db2.gz KDDXQQYOWAEUMV-CYBMUJFWSA-N 0 1 389.416 -1.595 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N2CC[C@@H](NC(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577644242 1075309100 /nfs/dbraw/zinc/30/91/00/1075309100.db2.gz KDDXQQYOWAEUMV-CYBMUJFWSA-N 0 1 389.416 -1.595 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N2CC[C@H](NC(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577644243 1075309091 /nfs/dbraw/zinc/30/90/91/1075309091.db2.gz KDDXQQYOWAEUMV-ZDUSSCGKSA-N 0 1 389.416 -1.595 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N2CC[C@H](NC(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577644243 1075309085 /nfs/dbraw/zinc/30/90/85/1075309085.db2.gz KDDXQQYOWAEUMV-ZDUSSCGKSA-N 0 1 389.416 -1.595 20 0 GAADMN Cn1c(C(=O)NC[C@@H]2COCCN2CC(=O)NCc2c[nH]nn2)c[nH]c1=O ZINC001577644255 1075308996 /nfs/dbraw/zinc/30/89/96/1075308996.db2.gz KGINKOHVHDMHRW-LLVKDONJSA-N 0 1 378.393 -2.009 20 0 GAADMN Cn1c(C(=O)NC[C@H]2COCCN2CC(=O)NCc2c[nH]nn2)c[nH]c1=O ZINC001577644256 1075308924 /nfs/dbraw/zinc/30/89/24/1075308924.db2.gz KGINKOHVHDMHRW-NSHDSACASA-N 0 1 378.393 -2.009 20 0 GAADMN Cn1c(C(=O)N[C@@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]2O)c[nH]c1=O ZINC001577644267 1075308897 /nfs/dbraw/zinc/30/88/97/1075308897.db2.gz KSJNKWKTDQZWHE-MWLCHTKSSA-N 0 1 392.376 -2.748 20 0 GAADMN Cn1c(=O)cccc1C(=O)N[C@@H]1CCN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577644269 1075308933 /nfs/dbraw/zinc/30/89/33/1075308933.db2.gz KWZFDDNSJNLDJQ-LLVKDONJSA-N 0 1 387.400 -1.459 20 0 GAADMN Cn1c(=O)cccc1C(=O)N[C@H]1CCN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577644270 1075308913 /nfs/dbraw/zinc/30/89/13/1075308913.db2.gz KWZFDDNSJNLDJQ-NSHDSACASA-N 0 1 387.400 -1.459 20 0 GAADMN Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577644323 1075309069 /nfs/dbraw/zinc/30/90/69/1075309069.db2.gz MJYDZTZFVLMLCV-MGCOHNPYSA-N 0 1 391.388 -1.412 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H](NC(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577644397 1075309534 /nfs/dbraw/zinc/30/95/34/1075309534.db2.gz PHDXVGCDFZNDJI-BETUJISGSA-N 0 1 389.416 -1.549 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H](NC(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577644397 1075309530 /nfs/dbraw/zinc/30/95/30/1075309530.db2.gz PHDXVGCDFZNDJI-BETUJISGSA-N 0 1 389.416 -1.549 20 0 GAADMN Cn1c(=O)cccc1C(=O)NCC1(NC(=O)CC(=O)NCc2c[nH]nn2)CC1 ZINC001577644401 1075309607 /nfs/dbraw/zinc/30/96/07/1075309607.db2.gz PKGVDDMKJYLWAE-UHFFFAOYSA-N 0 1 387.400 -1.412 20 0 GAADMN Cn1c(Cl)ncc1C(=O)NCC1(O)CN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577644413 1075309617 /nfs/dbraw/zinc/30/96/17/1075309617.db2.gz PTQHHUYAXXHSCS-UHFFFAOYSA-N 0 1 382.812 -1.716 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N2CCC[C@H](N(CCO)Cc3c[nH]nn3)C2)c1=O ZINC001577644440 1075309643 /nfs/dbraw/zinc/30/96/43/1075309643.db2.gz QLRXZKPDVDOOJC-AWEZNQCLSA-N 0 1 391.432 -1.849 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H](N(CCO)Cc3c[nH]nn3)C2)c1=O ZINC001577644441 1075309637 /nfs/dbraw/zinc/30/96/37/1075309637.db2.gz QLRXZKPDVDOOJC-CQSZACIVSA-N 0 1 391.432 -1.849 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577644456 1075309494 /nfs/dbraw/zinc/30/94/94/1075309494.db2.gz QWGVOCBFIIVIMJ-CYBMUJFWSA-N 0 1 389.416 -1.595 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577644456 1075309488 /nfs/dbraw/zinc/30/94/88/1075309488.db2.gz QWGVOCBFIIVIMJ-CYBMUJFWSA-N 0 1 389.416 -1.595 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577644457 1075309426 /nfs/dbraw/zinc/30/94/26/1075309426.db2.gz QWGVOCBFIIVIMJ-ZDUSSCGKSA-N 0 1 389.416 -1.595 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577644457 1075309422 /nfs/dbraw/zinc/30/94/22/1075309422.db2.gz QWGVOCBFIIVIMJ-ZDUSSCGKSA-N 0 1 389.416 -1.595 20 0 GAADMN Cn1c(=O)cccc1C(=O)N1CC[C@@H](NC(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577644486 1075309512 /nfs/dbraw/zinc/30/95/12/1075309512.db2.gz RMERIOUGIMAKFU-LLVKDONJSA-N 0 1 387.400 -1.459 20 0 GAADMN Cn1c(=O)cccc1C(=O)N1CC[C@H](NC(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577644487 1075309581 /nfs/dbraw/zinc/30/95/81/1075309581.db2.gz RMERIOUGIMAKFU-NSHDSACASA-N 0 1 387.400 -1.459 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N[C@@]2(CO)CCCN(CCc3cn[nH]n3)C2)c1=O ZINC001577644526 1075309665 /nfs/dbraw/zinc/30/96/65/1075309665.db2.gz UHVWEWYOBZBQTM-KRWDZBQOSA-N 0 1 391.432 -2.149 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N[C@]2(CO)CCCN(CCc3cn[nH]n3)C2)c1=O ZINC001577644527 1075309655 /nfs/dbraw/zinc/30/96/55/1075309655.db2.gz UHVWEWYOBZBQTM-QGZVFWFLSA-N 0 1 391.432 -2.149 20 0 GAADMN Cn1c(=O)[nH]cc(C(=O)N2C[C@@H](NC(=O)CCCc3cnn[nH]3)[C@@H](O)C2)c1=O ZINC001577644553 1075309475 /nfs/dbraw/zinc/30/94/75/1075309475.db2.gz VBJUWDFEPIUGMF-NEPJUHHUSA-N 0 1 391.388 -2.072 20 0 GAADMN Cn1c(=O)[nH]cc(C(=O)N2C[C@@H](NC(=O)CCCc3c[nH]nn3)[C@@H](O)C2)c1=O ZINC001577644553 1075309468 /nfs/dbraw/zinc/30/94/68/1075309468.db2.gz VBJUWDFEPIUGMF-NEPJUHHUSA-N 0 1 391.388 -2.072 20 0 GAADMN Cn1c(=O)ccn(CC(=O)N2CCC(N(CCO)Cc3c[nH]nn3)CC2)c1=O ZINC001577644573 1075309437 /nfs/dbraw/zinc/30/94/37/1075309437.db2.gz VRMGQZWKAFTZLJ-UHFFFAOYSA-N 0 1 391.432 -1.849 20 0 GAADMN Cn1c(C(=O)N2CC[C@](O)(CNC(=O)CCCc3cnn[nH]3)C2)c[nH]c1=O ZINC001577644646 1075309673 /nfs/dbraw/zinc/30/96/73/1075309673.db2.gz YNEXXPRLEXACGD-INIZCTEOSA-N 0 1 377.405 -1.040 20 0 GAADMN Cn1c(C(=O)N2CC[C@](O)(CNC(=O)CCCc3c[nH]nn3)C2)c[nH]c1=O ZINC001577644646 1075309670 /nfs/dbraw/zinc/30/96/70/1075309670.db2.gz YNEXXPRLEXACGD-INIZCTEOSA-N 0 1 377.405 -1.040 20 0 GAADMN Cn1c(C(=O)N2CC[C@@](O)(CNC(=O)CCCc3cnn[nH]3)C2)c[nH]c1=O ZINC001577644647 1075309596 /nfs/dbraw/zinc/30/95/96/1075309596.db2.gz YNEXXPRLEXACGD-MRXNPFEDSA-N 0 1 377.405 -1.040 20 0 GAADMN Cn1c(C(=O)N2CC[C@@](O)(CNC(=O)CCCc3c[nH]nn3)C2)c[nH]c1=O ZINC001577644647 1075309593 /nfs/dbraw/zinc/30/95/93/1075309593.db2.gz YNEXXPRLEXACGD-MRXNPFEDSA-N 0 1 377.405 -1.040 20 0 GAADMN Cn1cc(C(=O)N(Cc2c[nH]nn2)C2CCN(CC(N)=O)CC2)n(C)c1=O ZINC001577646784 1075309677 /nfs/dbraw/zinc/30/96/77/1075309677.db2.gz AZQADCFIHCVLBX-UHFFFAOYSA-N 0 1 376.421 -1.566 20 0 GAADMN Cn1cc(C(=O)N(CCO)CCNC(=O)CC(=O)NCc2c[nH]nn2)nn1 ZINC001577647030 1075309567 /nfs/dbraw/zinc/30/95/67/1075309567.db2.gz IJONNSVZKYFBCD-UHFFFAOYSA-N 0 1 379.381 -2.810 20 0 GAADMN Cn1cc(C(=O)N2CCN(Cc3c[nH]nn3)[C@H]3CS(=O)(=O)C[C@H]32)ccc1=O ZINC001577647294 1075310153 /nfs/dbraw/zinc/31/01/53/1075310153.db2.gz LYIWQNNRXXDFQC-UONOGXRCSA-N 0 1 392.441 -1.373 20 0 GAADMN Cn1cc(C(=O)N2CC(NC(=O)CCOCc3c[nH]nn3)C2)c(=O)n(C)c1=O ZINC001577647295 1075310123 /nfs/dbraw/zinc/31/01/23/1075310123.db2.gz LYQUKETYUFARHX-UHFFFAOYSA-N 0 1 391.388 -2.250 20 0 GAADMN Cn1cc(C(=O)N(Cc2c[nH]nn2)C2CCN(Cc3nnn(C)n3)CC2)nn1 ZINC001577647474 1075310082 /nfs/dbraw/zinc/31/00/82/1075310082.db2.gz OIMJBNCMEJWBMW-UHFFFAOYSA-N 0 1 386.424 -1.236 20 0 GAADMN Cn1cc(C(=O)N2CCC(N(Cc3c[nH]nn3)C(=O)CC(N)=O)CC2)nn1 ZINC001577647525 1075310129 /nfs/dbraw/zinc/31/01/29/1075310129.db2.gz PUWOLOREFUXOLR-UHFFFAOYSA-N 0 1 375.393 -1.558 20 0 GAADMN Cn1cc(C(=O)N2CC(NC(=O)CCOCc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577647707 1075309908 /nfs/dbraw/zinc/30/99/08/1075309908.db2.gz SLQJSZINXFFCTK-UHFFFAOYSA-N 0 1 377.361 -1.849 20 0 GAADMN Cn1cc(C(=O)N2CC[C@@H](N3CCN(Cc4c[nH]nn4)CC3)C2)c(=O)[nH]c1=O ZINC001577647731 1075310042 /nfs/dbraw/zinc/31/00/42/1075310042.db2.gz SUJAJYAHRDZHSV-CYBMUJFWSA-N 0 1 388.432 -1.364 20 0 GAADMN Cn1cc(C(=O)N2CC[C@H](N3CCN(Cc4c[nH]nn4)CC3)C2)c(=O)[nH]c1=O ZINC001577647734 1075309949 /nfs/dbraw/zinc/30/99/49/1075309949.db2.gz SUJAJYAHRDZHSV-ZDUSSCGKSA-N 0 1 388.432 -1.364 20 0 GAADMN Cn1cc(C(=O)N2CC[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577647834 1075310419 /nfs/dbraw/zinc/31/04/19/1075310419.db2.gz UPAGUVXUPVXUJZ-JTQLQIEISA-N 0 1 391.388 -1.458 20 0 GAADMN Cn1cc(C(=O)N2CC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577647836 1075310320 /nfs/dbraw/zinc/31/03/20/1075310320.db2.gz UPAGUVXUPVXUJZ-SNVBAGLBSA-N 0 1 391.388 -1.458 20 0 GAADMN Cn1cc(C(=O)N2CC(O)(CNC(=O)CCCc3cnn[nH]3)C2)ncc1=O ZINC001577647877 1075310484 /nfs/dbraw/zinc/31/04/84/1075310484.db2.gz VOPVDUZNFOESCW-UHFFFAOYSA-N 0 1 375.389 -1.776 20 0 GAADMN Cn1cc(C(=O)N2CC(O)(CNC(=O)CCCc3c[nH]nn3)C2)ncc1=O ZINC001577647877 1075310482 /nfs/dbraw/zinc/31/04/82/1075310482.db2.gz VOPVDUZNFOESCW-UHFFFAOYSA-N 0 1 375.389 -1.776 20 0 GAADMN Cn1cc(C(=O)N(Cc2c[nH]nn2)C2CCN(CC(N)=O)CC2)c(=O)[nH]c1=O ZINC001577647894 1075310456 /nfs/dbraw/zinc/31/04/56/1075310456.db2.gz WHZOHHKKAKXBSI-UHFFFAOYSA-N 0 1 390.404 -1.804 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@@H](N(CCO)Cc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577647907 1075310411 /nfs/dbraw/zinc/31/04/11/1075310411.db2.gz WWCFMIKCBSAZAW-GFCCVEGCSA-N 0 1 377.405 -1.297 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@H](N(CCO)Cc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577647908 1075310326 /nfs/dbraw/zinc/31/03/26/1075310326.db2.gz WWCFMIKCBSAZAW-LBPRGKRZSA-N 0 1 377.405 -1.297 20 0 GAADMN Cn1cc(-c2oncc2C(=O)NC2CN(CC(=O)NCc3c[nH]nn3)C2)cn1 ZINC001577647936 1075310392 /nfs/dbraw/zinc/31/03/92/1075310392.db2.gz YCMNIBMRGCSLQL-UHFFFAOYSA-N 0 1 385.388 -1.076 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)[nH]c1=O ZINC001577647964 1075310300 /nfs/dbraw/zinc/31/03/00/1075310300.db2.gz YSLNGLFDKXJPHK-JTQLQIEISA-N 0 1 390.404 -1.329 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)[nH]c1=O ZINC001577647965 1075310310 /nfs/dbraw/zinc/31/03/10/1075310310.db2.gz YSLNGLFDKXJPHK-SNVBAGLBSA-N 0 1 390.404 -1.329 20 0 GAADMN Cn1cc(C(=O)N2CCN(CCc3c[nH]nn3)[C@H]3CS(=O)(=O)C[C@H]32)nn1 ZINC001577647979 1075310449 /nfs/dbraw/zinc/31/04/49/1075310449.db2.gz ZGURBAOUTQUHIY-QWHCGFSZSA-N 0 1 380.434 -1.901 20 0 GAADMN Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)CCCc3cnn[nH]3)C2)n(C)c1=O ZINC001577650038 1075310368 /nfs/dbraw/zinc/31/03/68/1075310368.db2.gz ABPLCABXTZOERQ-KRWDZBQOSA-N 0 1 391.432 -1.442 20 0 GAADMN Cn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)CCCc3c[nH]nn3)C2)n(C)c1=O ZINC001577650038 1075310364 /nfs/dbraw/zinc/31/03/64/1075310364.db2.gz ABPLCABXTZOERQ-KRWDZBQOSA-N 0 1 391.432 -1.442 20 0 GAADMN Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)CCCc3cnn[nH]3)C2)n(C)c1=O ZINC001577650048 1075310499 /nfs/dbraw/zinc/31/04/99/1075310499.db2.gz ABPLCABXTZOERQ-QGZVFWFLSA-N 0 1 391.432 -1.442 20 0 GAADMN Cn1cc(C(=O)NC[C@]2(O)CCN(C(=O)CCCc3c[nH]nn3)C2)n(C)c1=O ZINC001577650048 1075310496 /nfs/dbraw/zinc/31/04/96/1075310496.db2.gz ABPLCABXTZOERQ-QGZVFWFLSA-N 0 1 391.432 -1.442 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(CC(=O)NCc3c[nH]nn3)CC2(C)C)n(C)c1=O ZINC001577650049 1075310378 /nfs/dbraw/zinc/31/03/78/1075310378.db2.gz ADSHYRMLHBAZJJ-CYBMUJFWSA-N 0 1 390.448 -1.402 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CN(CC(=O)NCc3c[nH]nn3)CC2(C)C)n(C)c1=O ZINC001577650051 1075310525 /nfs/dbraw/zinc/31/05/25/1075310525.db2.gz ADSHYRMLHBAZJJ-ZDUSSCGKSA-N 0 1 390.448 -1.402 20 0 GAADMN Cn1cc(C(=O)NC2CN(C(=O)CCOCc3c[nH]nn3)C2)c(=O)n(C)c1=O ZINC001577650116 1075310472 /nfs/dbraw/zinc/31/04/72/1075310472.db2.gz AZISRXHNOCUGLK-UHFFFAOYSA-N 0 1 391.388 -2.250 20 0 GAADMN Cn1cc(C(=O)NC2(CNC(=O)CC(=O)NCc3c[nH]nn3)CCCC2)nn1 ZINC001577650171 1075310437 /nfs/dbraw/zinc/31/04/37/1075310437.db2.gz CMYLOMSPDKZUKK-UHFFFAOYSA-N 0 1 389.420 -1.202 20 0 GAADMN Cn1cc(C(=O)NC[C@@]2(C)CN(C(=O)CCOCc3c[nH]nn3)CCO2)nn1 ZINC001577650284 1075310402 /nfs/dbraw/zinc/31/04/02/1075310402.db2.gz CUPGVTZPWWLYDD-INIZCTEOSA-N 0 1 392.420 -1.113 20 0 GAADMN Cn1cc(C(=O)NC[C@]2(C)CN(C(=O)CCOCc3c[nH]nn3)CCO2)nn1 ZINC001577650285 1075310351 /nfs/dbraw/zinc/31/03/51/1075310351.db2.gz CUPGVTZPWWLYDD-MRXNPFEDSA-N 0 1 392.420 -1.113 20 0 GAADMN Cn1cc(C(=O)NCC2CN(C(=O)CCOCc3c[nH]nn3)C2)n(C)c1=O ZINC001577650349 1075310987 /nfs/dbraw/zinc/31/09/87/1075310987.db2.gz FUELOZAQENAJCP-UHFFFAOYSA-N 0 1 377.405 -1.363 20 0 GAADMN Cn1cc(C(=O)NCC2(O)CN(C(=O)CC(=O)NCc3c[nH]nn3)C2)[nH]c1=O ZINC001577650373 1075310978 /nfs/dbraw/zinc/31/09/78/1075310978.db2.gz GGSCQCRVZKQSKP-UHFFFAOYSA-N 0 1 392.376 -2.747 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C[C@@H]2O)[nH]c1=O ZINC001577650382 1075310999 /nfs/dbraw/zinc/31/09/99/1075310999.db2.gz GNOJWBGYBQJGML-AAEUAGOBSA-N 0 1 377.405 -1.042 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CCN(C(=O)CCCc3c[nH]nn3)C[C@H]2O)[nH]c1=O ZINC001577650383 1075311009 /nfs/dbraw/zinc/31/10/09/1075311009.db2.gz GNOJWBGYBQJGML-DGCLKSJQSA-N 0 1 377.405 -1.042 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C[C@H]2O)[nH]c1=O ZINC001577650384 1075311020 /nfs/dbraw/zinc/31/10/20/1075311020.db2.gz GNOJWBGYBQJGML-WCQYABFASA-N 0 1 377.405 -1.042 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CCN(C(=O)CCCc3c[nH]nn3)C[C@@H]2O)[nH]c1=O ZINC001577650385 1075310805 /nfs/dbraw/zinc/31/08/05/1075310805.db2.gz GNOJWBGYBQJGML-YPMHNXCESA-N 0 1 377.405 -1.042 20 0 GAADMN Cn1cc(C(=O)NC2(CO)CCN(CC(=O)NCc3c[nH]nn3)CC2)cn1 ZINC001577650389 1075310794 /nfs/dbraw/zinc/31/07/94/1075310794.db2.gz GOSRVQLVJBGTNX-UHFFFAOYSA-N 0 1 376.421 -1.589 20 0 GAADMN Cn1cc(C(=O)NCC2CN(C(=O)CCCc3cnn[nH]3)C2)c(=O)n(C)c1=O ZINC001577650436 1075311039 /nfs/dbraw/zinc/31/10/39/1075311039.db2.gz IFKWOXDMBSVCDU-UHFFFAOYSA-N 0 1 389.416 -1.587 20 0 GAADMN Cn1cc(C(=O)NCC2CN(C(=O)CCCc3c[nH]nn3)C2)c(=O)n(C)c1=O ZINC001577650436 1075311034 /nfs/dbraw/zinc/31/10/34/1075311034.db2.gz IFKWOXDMBSVCDU-UHFFFAOYSA-N 0 1 389.416 -1.587 20 0 GAADMN Cn1cc(C(=O)NC2(CNC(=O)CCOCc3c[nH]nn3)CC2)n(C)c1=O ZINC001577650468 1075310914 /nfs/dbraw/zinc/31/09/14/1075310914.db2.gz JTCZBGPSJXKFSC-UHFFFAOYSA-N 0 1 377.405 -1.173 20 0 GAADMN Cn1cc(C(=O)NCC2(O)CN(C(=O)CCOCc3c[nH]nn3)C2)[nH]c1=O ZINC001577650470 1075310900 /nfs/dbraw/zinc/31/09/00/1075310900.db2.gz JXSBNCVAHMMGIE-UHFFFAOYSA-N 0 1 379.377 -1.846 20 0 GAADMN Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n(C)c1=O ZINC001577650521 1075310820 /nfs/dbraw/zinc/31/08/20/1075310820.db2.gz LHDVIDKKYDLELF-ZDUSSCGKSA-N 0 1 388.432 -1.553 20 0 GAADMN Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cncc(-c4cn[nH]n4)c3)C2)[nH]c1=O ZINC001577650534 1075310964 /nfs/dbraw/zinc/31/09/64/1075310964.db2.gz LOPAFLQFWDENJG-TZMCWYRMSA-N 0 1 398.383 -1.079 20 0 GAADMN Cn1cc(C(=O)NCC2(NC(=O)CC(=O)NCc3c[nH]nn3)CC2)[nH]c1=O ZINC001577650556 1075311322 /nfs/dbraw/zinc/31/13/22/1075311322.db2.gz MBPJEBIFWHVBJO-UHFFFAOYSA-N 0 1 376.377 -1.671 20 0 GAADMN Cn1cc(C(=O)NCC2(O)CN(C(=O)CCCc3cnn[nH]3)C2)n(C)c1=O ZINC001577650563 1075311377 /nfs/dbraw/zinc/31/13/77/1075311377.db2.gz MIAAPUDGTLERAG-UHFFFAOYSA-N 0 1 377.405 -1.832 20 0 GAADMN Cn1cc(C(=O)NCC2(O)CN(C(=O)CCCc3c[nH]nn3)C2)n(C)c1=O ZINC001577650563 1075311374 /nfs/dbraw/zinc/31/13/74/1075311374.db2.gz MIAAPUDGTLERAG-UHFFFAOYSA-N 0 1 377.405 -1.832 20 0 GAADMN Cn1cc(C(=O)NCC2(NC(=O)CCOCc3c[nH]nn3)CCOCC2)nn1 ZINC001577650576 1075311257 /nfs/dbraw/zinc/31/12/57/1075311257.db2.gz MROBEQRHSGXUPL-UHFFFAOYSA-N 0 1 392.420 -1.065 20 0 GAADMN Cn1cc(C(=O)N2CC[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)n(C)c1=O ZINC001577650599 1075311380 /nfs/dbraw/zinc/31/13/80/1075311380.db2.gz NFDIJVUIHZAROV-SNVBAGLBSA-N 0 1 390.404 -2.121 20 0 GAADMN Cn1cc(C(=O)NC[C@@H]2COCCN2CC(=O)NCc2c[nH]nn2)n(C)c1=O ZINC001577650641 1075311386 /nfs/dbraw/zinc/31/13/86/1075311386.db2.gz ORIUNJFTYISXQI-GFCCVEGCSA-N 0 1 392.420 -2.411 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2COCCN2CC(=O)NCc2c[nH]nn2)n(C)c1=O ZINC001577650642 1075311319 /nfs/dbraw/zinc/31/13/19/1075311319.db2.gz ORIUNJFTYISXQI-LBPRGKRZSA-N 0 1 392.420 -2.411 20 0 GAADMN Cn1cc(C(=O)NC2(CCO)CN(CCc3c[nH]nn3)C2)c(=O)n(C)c1=O ZINC001577650644 1075311286 /nfs/dbraw/zinc/31/12/86/1075311286.db2.gz ORSQURUOTKGYBO-UHFFFAOYSA-N 0 1 377.405 -2.389 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2CCCN2CC(=O)NCc2c[nH]nn2)n(C)c1=O ZINC001577650656 1075311333 /nfs/dbraw/zinc/31/13/33/1075311333.db2.gz OZCBDUUDGQGNBT-GFCCVEGCSA-N 0 1 376.421 -1.648 20 0 GAADMN Cn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)NCc2c[nH]nn2)n(C)c1=O ZINC001577650657 1075311295 /nfs/dbraw/zinc/31/12/95/1075311295.db2.gz OZCBDUUDGQGNBT-LBPRGKRZSA-N 0 1 376.421 -1.648 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577650693 1075311313 /nfs/dbraw/zinc/31/13/13/1075311313.db2.gz PSNINUVNMWTTLM-SECBINFHSA-N 0 1 376.377 -2.276 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577650694 1075311396 /nfs/dbraw/zinc/31/13/96/1075311396.db2.gz PSNINUVNMWTTLM-VIFPVBQESA-N 0 1 376.377 -2.276 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)CC(=O)NCc2c[nH]nn2)nn1 ZINC001577650708 1075311308 /nfs/dbraw/zinc/31/13/08/1075311308.db2.gz QFUWVIGAODZQBQ-LLVKDONJSA-N 0 1 375.393 -1.640 20 0 GAADMN Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CC(=O)NCc2c[nH]nn2)nn1 ZINC001577650709 1075311277 /nfs/dbraw/zinc/31/12/77/1075311277.db2.gz QFUWVIGAODZQBQ-NSHDSACASA-N 0 1 375.393 -1.640 20 0 GAADMN Cn1cc(C(=O)NCCCN(C(=O)CC(=O)NCc2c[nH]nn2)C2CC2)nn1 ZINC001577650729 1075311266 /nfs/dbraw/zinc/31/12/66/1075311266.db2.gz QYQXQPZCYYGEGB-UHFFFAOYSA-N 0 1 389.420 -1.249 20 0 GAADMN Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)cn1 ZINC001577650788 1075311329 /nfs/dbraw/zinc/31/13/29/1075311329.db2.gz TUDMPHPTWJNGJE-KBPBESRZSA-N 0 1 376.421 -1.590 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)cn1 ZINC001577650789 1075311365 /nfs/dbraw/zinc/31/13/65/1075311365.db2.gz TUDMPHPTWJNGJE-KGLIPLIRSA-N 0 1 376.421 -1.590 20 0 GAADMN Cn1cc(C(=O)N2C[C@@H](NC(=O)CCOCc3c[nH]nn3)[C@@H](O)C2)n(C)c1=O ZINC001577650877 1075311404 /nfs/dbraw/zinc/31/14/04/1075311404.db2.gz WENLUMAQYYVARF-YPMHNXCESA-N 0 1 393.404 -2.250 20 0 GAADMN Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCOCc2c[nH]nn2)n(C)c1=O ZINC001577650906 1075311699 /nfs/dbraw/zinc/31/16/99/1075311699.db2.gz WUAYBYPOFDLZGZ-STQMWFEESA-N 0 1 389.416 -1.126 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C[C@@H]2O)cn1 ZINC001577650955 1075311879 /nfs/dbraw/zinc/31/18/79/1075311879.db2.gz YOYAEPSSECUVSV-KBPBESRZSA-N 0 1 377.405 -1.163 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)C[C@@H]2O)cn1 ZINC001577650956 1075311800 /nfs/dbraw/zinc/31/18/00/1075311800.db2.gz YOYAEPSSECUVSV-KGLIPLIRSA-N 0 1 377.405 -1.163 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C[C@H]2O)cn1 ZINC001577650957 1075311789 /nfs/dbraw/zinc/31/17/89/1075311789.db2.gz YOYAEPSSECUVSV-UONOGXRCSA-N 0 1 377.405 -1.163 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)C[C@H]2O)cn1 ZINC001577650958 1075311892 /nfs/dbraw/zinc/31/18/92/1075311892.db2.gz YOYAEPSSECUVSV-ZIAGYGMSSA-N 0 1 377.405 -1.163 20 0 GAADMN Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCOCc2c[nH]nn2)n(C)c1=O ZINC001577650983 1075311887 /nfs/dbraw/zinc/31/18/87/1075311887.db2.gz ZFLJHLDTJPPUEX-JYAVWHMHSA-N 0 1 389.416 -1.365 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(C(=O)C3(Cc4c[nH]nn4)CCC3)C[C@@H]2O)[nH]c1=O ZINC001577652901 1075311839 /nfs/dbraw/zinc/31/18/39/1075311839.db2.gz AEDHKJALERPXHF-YPMHNXCESA-N 0 1 389.416 -1.042 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(C(=O)CCCCc3cn[nH]n3)C[C@H]2O)[nH]c1=O ZINC001577652987 1075311761 /nfs/dbraw/zinc/31/17/61/1075311761.db2.gz DOCYYZJXWQODTC-DGCLKSJQSA-N 0 1 377.405 -1.042 20 0 GAADMN Cn1cc(CC(=O)NC[C@H](NC(=O)CC(=O)NCc2c[nH]nn2)C2CC2)cn1 ZINC001577653008 1075311684 /nfs/dbraw/zinc/31/16/84/1075311684.db2.gz FEHPHMBIDNNDRX-AWEZNQCLSA-N 0 1 388.432 -1.202 20 0 GAADMN Cn1cc(CC(=O)NC[C@@H](NC(=O)CC(=O)NCc2c[nH]nn2)C2CC2)cn1 ZINC001577653009 1075311738 /nfs/dbraw/zinc/31/17/38/1075311738.db2.gz FEHPHMBIDNNDRX-CQSZACIVSA-N 0 1 388.432 -1.202 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]n4)cn3)C[C@H]2O)[nH]c1=O ZINC001577653092 1075311672 /nfs/dbraw/zinc/31/16/72/1075311672.db2.gz IPCYKXIDXKIIBV-TZMCWYRMSA-N 0 1 398.383 -1.079 20 0 GAADMN Cn1cc(CCC(=O)N2CCC(N(Cc3c[nH]nn3)C(=O)C(N)=O)CC2)nn1 ZINC001577653113 1075311866 /nfs/dbraw/zinc/31/18/66/1075311866.db2.gz JDDINLNIDPQKDN-UHFFFAOYSA-N 0 1 389.420 -1.629 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(C(=O)CCCc3cnn[nH]3)C[C@H]2O)c(=O)[nH]c1=O ZINC001577653206 1075311775 /nfs/dbraw/zinc/31/17/75/1075311775.db2.gz MUFZVRNNYCCSMX-VXGBXAGGSA-N 0 1 391.388 -2.072 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(C(=O)CCCc3c[nH]nn3)C[C@H]2O)c(=O)[nH]c1=O ZINC001577653206 1075311769 /nfs/dbraw/zinc/31/17/69/1075311769.db2.gz MUFZVRNNYCCSMX-VXGBXAGGSA-N 0 1 391.388 -2.072 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(=O)NCc4c[nH]nn4)C[C@H]32)[nH]c1=O ZINC001577653229 1075311854 /nfs/dbraw/zinc/31/18/54/1075311854.db2.gz NUHYLXLBZTYXLO-MSRIBSCDSA-N 0 1 388.388 -1.863 20 0 GAADMN Cn1cc(CC(=O)NCC2(NC(=O)CC(=O)NCc3c[nH]nn3)CCC2)cn1 ZINC001577653234 1075311659 /nfs/dbraw/zinc/31/16/59/1075311659.db2.gz NZMJSPNNDUBFOK-UHFFFAOYSA-N 0 1 388.432 -1.058 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)c(=O)[nH]c1=O ZINC001577653315 1075311827 /nfs/dbraw/zinc/31/18/27/1075311827.db2.gz QTQPFVIXFPWHGK-NSHDSACASA-N 0 1 375.389 -1.042 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577653315 1075311824 /nfs/dbraw/zinc/31/18/24/1075311824.db2.gz QTQPFVIXFPWHGK-NSHDSACASA-N 0 1 375.389 -1.042 20 0 GAADMN Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)CC(=O)NCc3c[nH]nn3)C2)[nH]c1=O ZINC001577653350 1075311721 /nfs/dbraw/zinc/31/17/21/1075311721.db2.gz SGRAKGXSJQIHPP-MGCOHNPYSA-N 0 1 390.404 -1.425 20 0 GAADMN Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)nn1 ZINC001577653359 1075312077 /nfs/dbraw/zinc/31/20/77/1075312077.db2.gz SMKFVQNJVVDSQF-AWEZNQCLSA-N 0 1 391.436 -1.852 20 0 GAADMN Cn1cc(CCC(=O)N2CC[C@](O)(CNC(=O)CCCc3cnn[nH]3)C2)nn1 ZINC001577653387 1075312223 /nfs/dbraw/zinc/31/22/23/1075312223.db2.gz UDPOZFBRKUUNSD-KRWDZBQOSA-N 0 1 390.448 -1.032 20 0 GAADMN Cn1cc(CCC(=O)N2CC[C@](O)(CNC(=O)CCCc3c[nH]nn3)C2)nn1 ZINC001577653387 1075312216 /nfs/dbraw/zinc/31/22/16/1075312216.db2.gz UDPOZFBRKUUNSD-KRWDZBQOSA-N 0 1 390.448 -1.032 20 0 GAADMN Cn1cc(CCC(=O)N2CC[C@@](O)(CNC(=O)CCCc3cnn[nH]3)C2)nn1 ZINC001577653388 1075312099 /nfs/dbraw/zinc/31/20/99/1075312099.db2.gz UDPOZFBRKUUNSD-QGZVFWFLSA-N 0 1 390.448 -1.032 20 0 GAADMN Cn1cc(CCC(=O)N2CC[C@@](O)(CNC(=O)CCCc3c[nH]nn3)C2)nn1 ZINC001577653388 1075312093 /nfs/dbraw/zinc/31/20/93/1075312093.db2.gz UDPOZFBRKUUNSD-QGZVFWFLSA-N 0 1 390.448 -1.032 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577653418 1075312159 /nfs/dbraw/zinc/31/21/59/1075312159.db2.gz VCMFODUZSNALLD-WDEREUQCSA-N 0 1 389.420 -1.346 20 0 GAADMN Cn1cc(C(=O)NCCNC(=O)c2cncc(-c3cn[nH]n3)c2)c(=O)[nH]c1=O ZINC001577653469 1075312185 /nfs/dbraw/zinc/31/21/85/1075312185.db2.gz XQOVJQFVGONIOM-UHFFFAOYSA-N 0 1 384.356 -1.174 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCCN(CC(=O)NCc3c[nH]nn3)C2)c(=O)[nH]c1=O ZINC001577653515 1075312331 /nfs/dbraw/zinc/31/23/31/1075312331.db2.gz ZLFCDVUQXPNBDZ-JTQLQIEISA-N 0 1 390.404 -1.885 20 0 GAADMN Cn1cc(CCC(=O)NC[C@H]2COCCN2CC(=O)NCc2c[nH]nn2)cn1 ZINC001577655858 1075312337 /nfs/dbraw/zinc/31/23/37/1075312337.db2.gz AFFGYCLNEBWLFP-HNNXBMFYSA-N 0 1 390.448 -1.396 20 0 GAADMN Cn1cc(CCC(=O)NC[C@@H]2COCCN2CC(=O)NCc2c[nH]nn2)cn1 ZINC001577655859 1075312170 /nfs/dbraw/zinc/31/21/70/1075312170.db2.gz AFFGYCLNEBWLFP-OAHLLOKOSA-N 0 1 390.448 -1.396 20 0 GAADMN Cn1cc(CCC(=O)N[C@H]2CCCN(CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577655988 1075312323 /nfs/dbraw/zinc/31/23/23/1075312323.db2.gz FQYKUKHYALPGIA-LBPRGKRZSA-N 0 1 375.437 -1.237 20 0 GAADMN Cn1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2c[nH]nn2)nn1 ZINC001577656027 1075312285 /nfs/dbraw/zinc/31/22/85/1075312285.db2.gz HHKIJFOOIHSWKL-ILXRZTDVSA-N 0 1 387.448 -1.096 20 0 GAADMN Cn1cc(Cl)c(C(=O)NC2CN(C(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577656034 1075312308 /nfs/dbraw/zinc/31/23/08/1075312308.db2.gz HQLQFWDEDBOIRD-UHFFFAOYSA-N 0 1 380.796 -1.161 20 0 GAADMN Cn1cc(CN2CCC(N(Cc3c[nH]nn3)C(=O)Cn3ncnn3)CC2)nn1 ZINC001577656056 1075312114 /nfs/dbraw/zinc/31/21/14/1075312114.db2.gz IKKDPJQMGZYOJO-UHFFFAOYSA-N 0 1 386.424 -1.387 20 0 GAADMN Cn1cc(Cl)c(C(=O)NCC2(O)CN(CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577656129 1075312129 /nfs/dbraw/zinc/31/21/29/1075312129.db2.gz KZOJYSVESIWZHJ-UHFFFAOYSA-N 0 1 382.812 -1.716 20 0 GAADMN Cn1cc(CCC(=O)NCC2(O)CN(C(=O)CCCCc3cn[nH]n3)C2)nn1 ZINC001577656302 1075312274 /nfs/dbraw/zinc/31/22/74/1075312274.db2.gz QUKKOEPLNGQBGY-UHFFFAOYSA-N 0 1 390.448 -1.032 20 0 GAADMN Cn1cc(CCC(=O)NC[C@H]2CCN2C(=O)CC(=O)NCc2c[nH]nn2)nn1 ZINC001577656430 1075312260 /nfs/dbraw/zinc/31/22/60/1075312260.db2.gz VJDLMEYBGSWKID-CYBMUJFWSA-N 0 1 389.420 -1.711 20 0 GAADMN Cn1cc(CCC(=O)NC[C@@H]2CCN2C(=O)CC(=O)NCc2c[nH]nn2)nn1 ZINC001577656431 1075312298 /nfs/dbraw/zinc/31/22/98/1075312298.db2.gz VJDLMEYBGSWKID-ZDUSSCGKSA-N 0 1 389.420 -1.711 20 0 GAADMN Cn1cc(S(=O)(=O)NCC(=O)N2CCCN(Cc3c[nH]nn3)CC2)cn1 ZINC001577658514 1075312316 /nfs/dbraw/zinc/31/23/16/1075312316.db2.gz DFBZGCZJFTUUQT-UHFFFAOYSA-N 0 1 382.450 -1.449 20 0 GAADMN Cn1ccc(=O)c(C(=O)N2CC[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)c1 ZINC001577658536 1075312242 /nfs/dbraw/zinc/31/22/42/1075312242.db2.gz DWNGKKCXZVHXSX-LLVKDONJSA-N 0 1 387.400 -1.459 20 0 GAADMN Cn1ccc(=O)c(C(=O)N2CC[C@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)c1 ZINC001577658537 1075312690 /nfs/dbraw/zinc/31/26/90/1075312690.db2.gz DWNGKKCXZVHXSX-NSHDSACASA-N 0 1 387.400 -1.459 20 0 GAADMN Cn1cc(Cl)cc1C(=O)N[C@@H]1CN(CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577659083 1075312683 /nfs/dbraw/zinc/31/26/83/1075312683.db2.gz ZNMAUCHDXVCFSB-DGCLKSJQSA-N 0 1 381.824 -1.112 20 0 GAADMN Cn1cc(Cl)cc1C(=O)N[C@@H]1CN(CC(=O)NCc2c[nH]nn2)C[C@@H]1O ZINC001577659084 1075312609 /nfs/dbraw/zinc/31/26/09/1075312609.db2.gz ZNMAUCHDXVCFSB-YPMHNXCESA-N 0 1 381.824 -1.112 20 0 GAADMN Cn1cc(N2CC[C@H](NCCNC(=O)CCOCc3cn[nH]n3)C2=O)cn1 ZINC001577659090 1075312742 /nfs/dbraw/zinc/31/27/42/1075312742.db2.gz ZQBVZAAWWPDRCK-AWEZNQCLSA-N 0 1 376.421 -1.044 20 0 GAADMN Cn1cc(N2CC[C@@H](NCCNC(=O)CCOCc3cn[nH]n3)C2=O)cn1 ZINC001577659091 1075312713 /nfs/dbraw/zinc/31/27/13/1075312713.db2.gz ZQBVZAAWWPDRCK-CQSZACIVSA-N 0 1 376.421 -1.044 20 0 GAADMN Cn1ccc(C(=O)NC[C@H]2COCCN2C(=O)CC(=O)NCc2c[nH]nn2)c1 ZINC001577661264 1075312659 /nfs/dbraw/zinc/31/26/59/1075312659.db2.gz CAIBXZQBHAATTB-AWEZNQCLSA-N 0 1 389.416 -1.193 20 0 GAADMN Cn1ccc(C(=O)NC[C@@H]2COCCN2C(=O)CC(=O)NCc2c[nH]nn2)c1 ZINC001577661265 1075312620 /nfs/dbraw/zinc/31/26/20/1075312620.db2.gz CAIBXZQBHAATTB-CQSZACIVSA-N 0 1 389.416 -1.193 20 0 GAADMN Cn1ccc(=O)c(C(=O)NC[C@@H]2COCCN2CC(=O)NCc2c[nH]nn2)c1 ZINC001577661309 1075312770 /nfs/dbraw/zinc/31/27/70/1075312770.db2.gz CYQNWESVFNSBOC-CYBMUJFWSA-N 0 1 389.416 -1.750 20 0 GAADMN Cn1ccc(=O)c(C(=O)NC[C@H]2COCCN2CC(=O)NCc2c[nH]nn2)c1 ZINC001577661310 1075312762 /nfs/dbraw/zinc/31/27/62/1075312762.db2.gz CYQNWESVFNSBOC-ZDUSSCGKSA-N 0 1 389.416 -1.750 20 0 GAADMN Cn1ccc(C(=O)NC[C@@]2(O)CCN(CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577661486 1075312645 /nfs/dbraw/zinc/31/26/45/1075312645.db2.gz KACIYVSBIWIHCR-KRWDZBQOSA-N 0 1 389.416 -2.014 20 0 GAADMN Cn1ccc(C(=O)NC[C@]2(O)CCN(CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577661487 1075312766 /nfs/dbraw/zinc/31/27/66/1075312766.db2.gz KACIYVSBIWIHCR-QGZVFWFLSA-N 0 1 389.416 -2.014 20 0 GAADMN Cn1ccc(C(=O)N2CC[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577661514 1075312637 /nfs/dbraw/zinc/31/26/37/1075312637.db2.gz LBJXCKSBMFZIQX-GFCCVEGCSA-N 0 1 387.400 -1.459 20 0 GAADMN Cn1ccc(C(=O)N2CC[C@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577661515 1075312676 /nfs/dbraw/zinc/31/26/76/1075312676.db2.gz LBJXCKSBMFZIQX-LBPRGKRZSA-N 0 1 387.400 -1.459 20 0 GAADMN Cn1ccc(C(=O)N2CCC(N(Cc3c[nH]nn3)C(=O)C(N)=O)CC2)cc1=O ZINC001577661574 1075312757 /nfs/dbraw/zinc/31/27/57/1075312757.db2.gz MZJCBMUBKOEVNA-UHFFFAOYSA-N 0 1 387.400 -1.378 20 0 GAADMN Cn1ccc(C(=O)N2C[C@@H](NC(=O)CCOCc3c[nH]nn3)[C@@H](O)C2)cc1=O ZINC001577661584 1075312666 /nfs/dbraw/zinc/31/26/66/1075312666.db2.gz NHWBJAVPXZFTGL-KGLIPLIRSA-N 0 1 390.400 -1.588 20 0 GAADMN Cn1ccc(C(=O)N[C@@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]2O)c1 ZINC001577661599 1075312730 /nfs/dbraw/zinc/31/27/30/1075312730.db2.gz NUJXTRRSQNZESV-CHWSQXEVSA-N 0 1 375.389 -1.849 20 0 GAADMN Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577661613 1075312721 /nfs/dbraw/zinc/31/27/21/1075312721.db2.gz OEULJHVZOZRMFS-JSGCOSHPSA-N 0 1 376.421 -1.590 20 0 GAADMN Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577661614 1075312700 /nfs/dbraw/zinc/31/27/00/1075312700.db2.gz OEULJHVZOZRMFS-OCCSQVGLSA-N 0 1 376.421 -1.590 20 0 GAADMN Cn1ccc(C(=O)N2C[C@H]3CCN(CC(=O)NCc4c[nH]nn4)C[C@H]32)cc1=O ZINC001577661764 1075313116 /nfs/dbraw/zinc/31/31/16/1075313116.db2.gz TZPFSABTMWEDMM-UKRRQHHQSA-N 0 1 385.428 -1.034 20 0 GAADMN Cn1ccc(C(=O)N(CCO)CCNC(=O)CC(=O)NCc2c[nH]nn2)c1 ZINC001577661941 1075313006 /nfs/dbraw/zinc/31/30/06/1075313006.db2.gz ZRIDYMZGAGOSDW-UHFFFAOYSA-N 0 1 377.405 -1.600 20 0 GAADMN CCCN1C[C@H](C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)CC1=O ZINC001577662010 1075313040 /nfs/dbraw/zinc/31/30/40/1075313040.db2.gz BBXYNENHLITJHD-NEPJUHHUSA-N 0 1 388.432 -1.169 20 0 GAADMN CCCN1C[C@@H](C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)CC1=O ZINC001577662011 1075313309 /nfs/dbraw/zinc/31/33/09/1075313309.db2.gz BBXYNENHLITJHD-NWDGAFQWSA-N 0 1 388.432 -1.169 20 0 GAADMN CCCN1C[C@@H](C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)CC1=O ZINC001577662012 1075313059 /nfs/dbraw/zinc/31/30/59/1075313059.db2.gz BBXYNENHLITJHD-RYUDHWBXSA-N 0 1 388.432 -1.169 20 0 GAADMN CCCN1C[C@H](C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)CC1=O ZINC001577662013 1075313076 /nfs/dbraw/zinc/31/30/76/1075313076.db2.gz BBXYNENHLITJHD-VXGBXAGGSA-N 0 1 388.432 -1.169 20 0 GAADMN CCCN1C[C@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001577662511 1075313183 /nfs/dbraw/zinc/31/31/83/1075313183.db2.gz MPZZVUIJWNTJMA-GHMZBOCLSA-N 0 1 389.420 -1.774 20 0 GAADMN CCCN1C[C@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001577662512 1075313149 /nfs/dbraw/zinc/31/31/49/1075313149.db2.gz MPZZVUIJWNTJMA-MNOVXSKESA-N 0 1 389.420 -1.774 20 0 GAADMN CCCN1C[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001577662513 1075313099 /nfs/dbraw/zinc/31/30/99/1075313099.db2.gz MPZZVUIJWNTJMA-QWRGUYRKSA-N 0 1 389.420 -1.774 20 0 GAADMN CCCN1C[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001577662514 1075313286 /nfs/dbraw/zinc/31/32/86/1075313286.db2.gz MPZZVUIJWNTJMA-WDEREUQCSA-N 0 1 389.420 -1.774 20 0 GAADMN CCCN1C[C@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001577662739 1075313707 /nfs/dbraw/zinc/31/37/07/1075313707.db2.gz TZEYOSOFMVABIP-GHMZBOCLSA-N 0 1 389.420 -1.774 20 0 GAADMN CCCN1C[C@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001577662740 1075313721 /nfs/dbraw/zinc/31/37/21/1075313721.db2.gz TZEYOSOFMVABIP-MNOVXSKESA-N 0 1 389.420 -1.774 20 0 GAADMN CCCN1C[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001577662741 1075313622 /nfs/dbraw/zinc/31/36/22/1075313622.db2.gz TZEYOSOFMVABIP-QWRGUYRKSA-N 0 1 389.420 -1.774 20 0 GAADMN CCCN1C[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001577662742 1075313612 /nfs/dbraw/zinc/31/36/12/1075313612.db2.gz TZEYOSOFMVABIP-WDEREUQCSA-N 0 1 389.420 -1.774 20 0 GAADMN CCC[N@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001577664772 1075314139 /nfs/dbraw/zinc/31/41/39/1075314139.db2.gz IIIJYQDLEXIVKP-JTQLQIEISA-N 0 1 377.409 -1.088 20 0 GAADMN CCC[N@@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001577664772 1075314135 /nfs/dbraw/zinc/31/41/35/1075314135.db2.gz IIIJYQDLEXIVKP-JTQLQIEISA-N 0 1 377.409 -1.088 20 0 GAADMN CCC[N@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001577664772 1075314132 /nfs/dbraw/zinc/31/41/32/1075314132.db2.gz IIIJYQDLEXIVKP-JTQLQIEISA-N 0 1 377.409 -1.088 20 0 GAADMN CCC[N@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001577664773 1075314227 /nfs/dbraw/zinc/31/42/27/1075314227.db2.gz IIIJYQDLEXIVKP-SNVBAGLBSA-N 0 1 377.409 -1.088 20 0 GAADMN CCC[N@@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001577664773 1075314222 /nfs/dbraw/zinc/31/42/22/1075314222.db2.gz IIIJYQDLEXIVKP-SNVBAGLBSA-N 0 1 377.409 -1.088 20 0 GAADMN CCC[N@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001577664773 1075314219 /nfs/dbraw/zinc/31/42/19/1075314219.db2.gz IIIJYQDLEXIVKP-SNVBAGLBSA-N 0 1 377.409 -1.088 20 0 GAADMN Cn1ccc(CC(=O)NC[C@H]2C[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577664920 1075314051 /nfs/dbraw/zinc/31/40/51/1075314051.db2.gz HHEAYWDWFNDXOO-BJHJDKERSA-N 0 1 388.432 -1.202 20 0 GAADMN Cn1ccc(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577665149 1075314151 /nfs/dbraw/zinc/31/41/51/1075314151.db2.gz JYWKTNINYXSQAG-CABCVRRESA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1ccc(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577665151 1075314073 /nfs/dbraw/zinc/31/40/73/1075314073.db2.gz JYWKTNINYXSQAG-GJZGRUSLSA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1ccc(CC(=O)NC2(CO)CCN(CC(=O)NCc3c[nH]nn3)CC2)n1 ZINC001577665173 1075314257 /nfs/dbraw/zinc/31/42/57/1075314257.db2.gz KNQXXSGCSXVRCL-UHFFFAOYSA-N 0 1 390.448 -1.660 20 0 GAADMN Cn1ccc(CC(=O)N[C@H]2C[C@H](CNC(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577665359 1075314039 /nfs/dbraw/zinc/31/40/39/1075314039.db2.gz MOYBLZJKBSRPKL-AULYBMBSSA-N 0 1 388.432 -1.202 20 0 GAADMN Cn1ccc(CCC(=O)N(Cc2c[nH]nn2)C2CCN(C(=O)C(N)=O)CC2)n1 ZINC001577665700 1075314207 /nfs/dbraw/zinc/31/42/07/1075314207.db2.gz PUXKLIJRQOUBAH-UHFFFAOYSA-N 0 1 388.432 -1.024 20 0 GAADMN Cn1ccc(CC(=O)N2CC(O)(CNC(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577666052 1075314120 /nfs/dbraw/zinc/31/41/20/1075314120.db2.gz SHFQAERAQYFCTR-UHFFFAOYSA-N 0 1 377.405 -1.623 20 0 GAADMN Cn1ccc(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577666123 1075314125 /nfs/dbraw/zinc/31/41/25/1075314125.db2.gz URKORDNALUFEOJ-CABCVRRESA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1ccc(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577666125 1075314064 /nfs/dbraw/zinc/31/40/64/1075314064.db2.gz URKORDNALUFEOJ-GJZGRUSLSA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1ccc(CC(=O)N2CCOC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)n1 ZINC001577666412 1075314248 /nfs/dbraw/zinc/31/42/48/1075314248.db2.gz YGVRQOLKXGUQQT-UHFFFAOYSA-N 0 1 388.432 -1.690 20 0 GAADMN Cn1cccc(C(=O)N[C@@H](CO)CNC(=O)CCOCc2c[nH]nn2)c1=O ZINC001577667356 1075314092 /nfs/dbraw/zinc/31/40/92/1075314092.db2.gz AWSCPCJJDRCBTD-LLVKDONJSA-N 0 1 378.389 -1.683 20 0 GAADMN Cn1cccc(C(=O)N[C@H](CO)CNC(=O)CCOCc2c[nH]nn2)c1=O ZINC001577667360 1075314190 /nfs/dbraw/zinc/31/41/90/1075314190.db2.gz AWSCPCJJDRCBTD-NSHDSACASA-N 0 1 378.389 -1.683 20 0 GAADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577667371 1075314087 /nfs/dbraw/zinc/31/40/87/1075314087.db2.gz CNNPMBLOOHRHGC-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577667371 1075314084 /nfs/dbraw/zinc/31/40/84/1075314084.db2.gz CNNPMBLOOHRHGC-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577667371 1075314081 /nfs/dbraw/zinc/31/40/81/1075314081.db2.gz CNNPMBLOOHRHGC-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577667374 1075314112 /nfs/dbraw/zinc/31/41/12/1075314112.db2.gz CNNPMBLOOHRHGC-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577667374 1075314110 /nfs/dbraw/zinc/31/41/10/1075314110.db2.gz CNNPMBLOOHRHGC-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577667374 1075314109 /nfs/dbraw/zinc/31/41/09/1075314109.db2.gz CNNPMBLOOHRHGC-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577667376 1075314100 /nfs/dbraw/zinc/31/41/00/1075314100.db2.gz CNNPMBLOOHRHGC-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577667376 1075314097 /nfs/dbraw/zinc/31/40/97/1075314097.db2.gz CNNPMBLOOHRHGC-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577667376 1075314096 /nfs/dbraw/zinc/31/40/96/1075314096.db2.gz CNNPMBLOOHRHGC-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577667378 1075314173 /nfs/dbraw/zinc/31/41/73/1075314173.db2.gz CNNPMBLOOHRHGC-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577667378 1075314171 /nfs/dbraw/zinc/31/41/71/1075314171.db2.gz CNNPMBLOOHRHGC-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001577667378 1075314167 /nfs/dbraw/zinc/31/41/67/1075314167.db2.gz CNNPMBLOOHRHGC-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577667468 1075314158 /nfs/dbraw/zinc/31/41/58/1075314158.db2.gz BYCSMELKWMVHLP-DGCLKSJQSA-N 0 1 375.389 -1.849 20 0 GAADMN Cn1cccc1C(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577667687 1075314196 /nfs/dbraw/zinc/31/41/96/1075314196.db2.gz FRRFGHOHIDHSPV-KRWDZBQOSA-N 0 1 389.416 -1.457 20 0 GAADMN Cn1cccc1C(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577667689 1075314561 /nfs/dbraw/zinc/31/45/61/1075314561.db2.gz FRRFGHOHIDHSPV-QGZVFWFLSA-N 0 1 389.416 -1.457 20 0 GAADMN Cn1ccnc1CCC(=O)NC1(CCO)CN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577668481 1075314826 /nfs/dbraw/zinc/31/48/26/1075314826.db2.gz NUNOGSCNKGXCKW-UHFFFAOYSA-N 0 1 390.448 -1.660 20 0 GAADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577668542 1075314740 /nfs/dbraw/zinc/31/47/40/1075314740.db2.gz LHZCAUUHUPLPIL-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577668542 1075314734 /nfs/dbraw/zinc/31/47/34/1075314734.db2.gz LHZCAUUHUPLPIL-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577668542 1075314729 /nfs/dbraw/zinc/31/47/29/1075314729.db2.gz LHZCAUUHUPLPIL-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577668544 1075314835 /nfs/dbraw/zinc/31/48/35/1075314835.db2.gz LHZCAUUHUPLPIL-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577668544 1075314833 /nfs/dbraw/zinc/31/48/33/1075314833.db2.gz LHZCAUUHUPLPIL-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577668544 1075314830 /nfs/dbraw/zinc/31/48/30/1075314830.db2.gz LHZCAUUHUPLPIL-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577668546 1075314781 /nfs/dbraw/zinc/31/47/81/1075314781.db2.gz LHZCAUUHUPLPIL-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577668546 1075314777 /nfs/dbraw/zinc/31/47/77/1075314777.db2.gz LHZCAUUHUPLPIL-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577668546 1075314772 /nfs/dbraw/zinc/31/47/72/1075314772.db2.gz LHZCAUUHUPLPIL-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577668548 1075314640 /nfs/dbraw/zinc/31/46/40/1075314640.db2.gz LHZCAUUHUPLPIL-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577668548 1075314633 /nfs/dbraw/zinc/31/46/33/1075314633.db2.gz LHZCAUUHUPLPIL-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001577668548 1075314627 /nfs/dbraw/zinc/31/46/27/1075314627.db2.gz LHZCAUUHUPLPIL-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN Cn1ccnc1CCC(=O)NCC1(O)CN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577669822 1075314586 /nfs/dbraw/zinc/31/45/86/1075314586.db2.gz VGBBTBVWGITGER-UHFFFAOYSA-N 0 1 391.432 -1.233 20 0 GAADMN Cn1ccnc1COCC(=O)N[C@@H]1CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577671786 1075314615 /nfs/dbraw/zinc/31/46/15/1075314615.db2.gz AZYDEVQAANWGFH-GFCCVEGCSA-N 0 1 376.421 -1.438 20 0 GAADMN Cn1ccnc1COCC(=O)N[C@H]1CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577671788 1075314793 /nfs/dbraw/zinc/31/47/93/1075314793.db2.gz AZYDEVQAANWGFH-LBPRGKRZSA-N 0 1 376.421 -1.438 20 0 GAADMN Cn1cnc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4c[nH]nn4)nc3)[C@@H](O)C2)n1 ZINC001577671837 1075314800 /nfs/dbraw/zinc/31/48/00/1075314800.db2.gz BYBUVAFFYIQWPZ-OLZOCXBDSA-N 0 1 383.372 -1.390 20 0 GAADMN Cn1cnc(C(=O)N[C@@]2(CO)CCCN(CC(=O)NCc3c[nH]nn3)C2)c1 ZINC001577671843 1075314763 /nfs/dbraw/zinc/31/47/63/1075314763.db2.gz CDIVSEBZTVEXSG-INIZCTEOSA-N 0 1 376.421 -1.589 20 0 GAADMN Cn1cnc(C(=O)N[C@]2(CO)CCCN(CC(=O)NCc3c[nH]nn3)C2)c1 ZINC001577671845 1075314546 /nfs/dbraw/zinc/31/45/46/1075314546.db2.gz CDIVSEBZTVEXSG-MRXNPFEDSA-N 0 1 376.421 -1.589 20 0 GAADMN Cn1cnc(C(=O)NC[C@H]2CC[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577671870 1075314817 /nfs/dbraw/zinc/31/48/17/1075314817.db2.gz DIJRFTGWNRSGKN-WDEREUQCSA-N 0 1 389.420 -1.346 20 0 GAADMN Cn1cnc(C(=O)N2CCOC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)n1 ZINC001577671871 1075314600 /nfs/dbraw/zinc/31/46/00/1075314600.db2.gz DIKZTDOUJRPFJW-UHFFFAOYSA-N 0 1 375.393 -2.224 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)CCCc3cnn[nH]3)C2)cc1=O ZINC001577671874 1075314810 /nfs/dbraw/zinc/31/48/10/1075314810.db2.gz DOTJQTFWNCYWPI-KRWDZBQOSA-N 0 1 389.416 -1.386 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)CCCc3c[nH]nn3)C2)cc1=O ZINC001577671874 1075314807 /nfs/dbraw/zinc/31/48/07/1075314807.db2.gz DOTJQTFWNCYWPI-KRWDZBQOSA-N 0 1 389.416 -1.386 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)CCCc3cnn[nH]3)C2)cc1=O ZINC001577671875 1075314718 /nfs/dbraw/zinc/31/47/18/1075314718.db2.gz DOTJQTFWNCYWPI-QGZVFWFLSA-N 0 1 389.416 -1.386 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)CCCc3c[nH]nn3)C2)cc1=O ZINC001577671875 1075314713 /nfs/dbraw/zinc/31/47/13/1075314713.db2.gz DOTJQTFWNCYWPI-QGZVFWFLSA-N 0 1 389.416 -1.386 20 0 GAADMN Cn1cnc(C(=O)N2CCC(CO)(NC(=O)CCOCc3c[nH]nn3)CC2)n1 ZINC001577672050 1075314571 /nfs/dbraw/zinc/31/45/71/1075314571.db2.gz FLYYCIREKAGMNR-UHFFFAOYSA-N 0 1 392.420 -1.377 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C[C@H]2O)n1 ZINC001577672104 1075314529 /nfs/dbraw/zinc/31/45/29/1075314529.db2.gz GZEPIADUHODIIT-FRRDWIJNSA-N 0 1 389.420 -2.101 20 0 GAADMN Cn1cnc(C(=O)NC2(CNC(=O)CCOCc3c[nH]nn3)CC2)cc1=O ZINC001577672221 1075314843 /nfs/dbraw/zinc/31/48/43/1075314843.db2.gz IWIUVMSZWRZTOL-UHFFFAOYSA-N 0 1 375.389 -1.116 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@@H](N(CCO)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577672240 1075314666 /nfs/dbraw/zinc/31/46/66/1075314666.db2.gz JBJMESXXFKYXNH-CYBMUJFWSA-N 0 1 391.436 -1.852 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@H](N(CCO)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577672243 1075315112 /nfs/dbraw/zinc/31/51/12/1075315112.db2.gz JBJMESXXFKYXNH-ZDUSSCGKSA-N 0 1 391.436 -1.852 20 0 GAADMN Cn1cnc(C(=O)N[C@H]2CCN(C(=O)CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577672259 1075315158 /nfs/dbraw/zinc/31/51/58/1075315158.db2.gz JCZGKJATCLMNOH-JTQLQIEISA-N 0 1 388.388 -2.064 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577672261 1075315205 /nfs/dbraw/zinc/31/52/05/1075315205.db2.gz JCZGKJATCLMNOH-SNVBAGLBSA-N 0 1 388.388 -2.064 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@@](C)(CNC(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577672353 1075315219 /nfs/dbraw/zinc/31/52/19/1075315219.db2.gz JUVWIAOIZQYCIR-INIZCTEOSA-N 0 1 389.420 -1.392 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@](C)(CNC(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577672365 1075315303 /nfs/dbraw/zinc/31/53/03/1075315303.db2.gz JUVWIAOIZQYCIR-MRXNPFEDSA-N 0 1 389.420 -1.392 20 0 GAADMN Cn1cnc(C(=O)N(CCO)CCNC(=O)c2cncc(-c3cn[nH]n3)c2)n1 ZINC001577672394 1075315250 /nfs/dbraw/zinc/31/52/50/1075315250.db2.gz KABGECPAHVNUKV-UHFFFAOYSA-N 0 1 385.388 -1.140 20 0 GAADMN Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)c1 ZINC001577672397 1075315147 /nfs/dbraw/zinc/31/51/47/1075315147.db2.gz KAMZFTFWUUKSLH-AWEZNQCLSA-N 0 1 388.432 -1.494 20 0 GAADMN Cn1cnc(C(=O)N2CC3(C2)CCN(CC(=O)NCc2c[nH]nn2)C3)cc1=O ZINC001577672455 1075315186 /nfs/dbraw/zinc/31/51/86/1075315186.db2.gz LDMKCMGSNRDGNR-UHFFFAOYSA-N 0 1 386.416 -1.637 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]2O)c1 ZINC001577672614 1075315212 /nfs/dbraw/zinc/31/52/12/1075315212.db2.gz MWSHHLHNECGIEF-ZYHUDNBSSA-N 0 1 376.377 -2.454 20 0 GAADMN Cn1cnc(C(=O)NCC[C@@H]2CCN(CC(=O)NCc3cn[nH]n3)C2)cc1=O ZINC001577672622 1075315238 /nfs/dbraw/zinc/31/52/38/1075315238.db2.gz MXTUJCUYQBTYFK-GFCCVEGCSA-N 0 1 388.432 -1.343 20 0 GAADMN Cn1cnc(C(=O)NCC[C@H]2CCN(CC(=O)NCc3cn[nH]n3)C2)cc1=O ZINC001577672624 1075315278 /nfs/dbraw/zinc/31/52/78/1075315278.db2.gz MXTUJCUYQBTYFK-LBPRGKRZSA-N 0 1 388.432 -1.343 20 0 GAADMN Cn1cnc(C(=O)NC[C@H](CO)NC(=O)C2(Cc3cnn[nH]3)CCOCC2)c1 ZINC001577672639 1075315178 /nfs/dbraw/zinc/31/51/78/1075315178.db2.gz NFDAWUNWYQJSJP-CYBMUJFWSA-N 0 1 391.432 -1.215 20 0 GAADMN Cn1cnc(C(=O)NC[C@H](CO)NC(=O)C2(Cc3c[nH]nn3)CCOCC2)c1 ZINC001577672639 1075315174 /nfs/dbraw/zinc/31/51/74/1075315174.db2.gz NFDAWUNWYQJSJP-CYBMUJFWSA-N 0 1 391.432 -1.215 20 0 GAADMN Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)C2(Cc3cnn[nH]3)CCOCC2)c1 ZINC001577672641 1075315089 /nfs/dbraw/zinc/31/50/89/1075315089.db2.gz NFDAWUNWYQJSJP-ZDUSSCGKSA-N 0 1 391.432 -1.215 20 0 GAADMN Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)C2(Cc3c[nH]nn3)CCOCC2)c1 ZINC001577672641 1075315081 /nfs/dbraw/zinc/31/50/81/1075315081.db2.gz NFDAWUNWYQJSJP-ZDUSSCGKSA-N 0 1 391.432 -1.215 20 0 GAADMN Cn1cnc(C(=O)NC2(CCO)CN(C(=O)CCOCc3c[nH]nn3)C2)c1 ZINC001577672659 1075315286 /nfs/dbraw/zinc/31/52/86/1075315286.db2.gz NIRIKNQMUHOTRN-UHFFFAOYSA-N 0 1 377.405 -1.162 20 0 GAADMN Cn1cnc(C(=O)NC[C@@]2(C)CN(CC(=O)NCc3c[nH]nn3)CCO2)n1 ZINC001577672691 1075315102 /nfs/dbraw/zinc/31/51/02/1075315102.db2.gz NZAOPRDJRMZCJV-HNNXBMFYSA-N 0 1 377.409 -1.930 20 0 GAADMN Cn1cnc(C(=O)NC[C@]2(C)CN(CC(=O)NCc3c[nH]nn3)CCO2)n1 ZINC001577672692 1075315265 /nfs/dbraw/zinc/31/52/65/1075315265.db2.gz NZAOPRDJRMZCJV-OAHLLOKOSA-N 0 1 377.409 -1.930 20 0 GAADMN Cn1cnc(C(=O)N2CCN(CCc3c[nH]nn3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC001577672710 1075315292 /nfs/dbraw/zinc/31/52/92/1075315292.db2.gz OJZVNANQXQZMAP-UONOGXRCSA-N 0 1 379.446 -1.296 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)cc1=O ZINC001577672715 1075315258 /nfs/dbraw/zinc/31/52/58/1075315258.db2.gz OKTNQUAADANMNE-LLVKDONJSA-N 0 1 375.389 -1.164 20 0 GAADMN Cn1cnc(C(=O)N2CCOC[C@H]2CNC(=O)CCOCc2c[nH]nn2)n1 ZINC001577672722 1075315698 /nfs/dbraw/zinc/31/56/98/1075315698.db2.gz OMLQHERDEJNQCC-GFCCVEGCSA-N 0 1 378.393 -1.503 20 0 GAADMN Cn1cnc(C(=O)N2CCOC[C@@H]2CNC(=O)CCOCc2c[nH]nn2)n1 ZINC001577672724 1075315586 /nfs/dbraw/zinc/31/55/86/1075315586.db2.gz OMLQHERDEJNQCC-LBPRGKRZSA-N 0 1 378.393 -1.503 20 0 GAADMN Cn1cnc(C(=O)N2CCOC3(CN(C(=O)CCOCc4c[nH]nn4)C3)C2)n1 ZINC001577672891 1075315639 /nfs/dbraw/zinc/31/56/39/1075315639.db2.gz QLMMZZDYPJGJHM-UHFFFAOYSA-N 0 1 390.404 -1.407 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2COC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)n1 ZINC001577672908 1075315595 /nfs/dbraw/zinc/31/55/95/1075315595.db2.gz RLOKPUQXCRUALL-JTQLQIEISA-N 0 1 375.393 -2.177 20 0 GAADMN Cn1cnc(C(=O)N[C@H]2COC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)n1 ZINC001577672909 1075315651 /nfs/dbraw/zinc/31/56/51/1075315651.db2.gz RLOKPUQXCRUALL-SNVBAGLBSA-N 0 1 375.393 -2.177 20 0 GAADMN Cn1cnc(C(=O)N(Cc2c[nH]nn2)C2CCN(C(=O)CNC(N)=O)CC2)n1 ZINC001577672936 1075315543 /nfs/dbraw/zinc/31/55/43/1075315543.db2.gz SEZBQZYNDNNFKS-UHFFFAOYSA-N 0 1 390.408 -1.765 20 0 GAADMN Cn1cnc(C(=O)N[C@@](C)(CNC(=O)CC(=O)NCc2c[nH]nn2)C2CC2)n1 ZINC001577673050 1075315663 /nfs/dbraw/zinc/31/56/63/1075315663.db2.gz SODQXKBNCARRDM-INIZCTEOSA-N 0 1 389.420 -1.346 20 0 GAADMN Cn1cnc(C(=O)N[C@](C)(CNC(=O)CC(=O)NCc2c[nH]nn2)C2CC2)n1 ZINC001577673051 1075315582 /nfs/dbraw/zinc/31/55/82/1075315582.db2.gz SODQXKBNCARRDM-MRXNPFEDSA-N 0 1 389.420 -1.346 20 0 GAADMN Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577673072 1075315603 /nfs/dbraw/zinc/31/56/03/1075315603.db2.gz SZFOOIVAZUAJRY-NEPJUHHUSA-N 0 1 377.409 -2.195 20 0 GAADMN Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577673073 1075315709 /nfs/dbraw/zinc/31/57/09/1075315709.db2.gz SZFOOIVAZUAJRY-RYUDHWBXSA-N 0 1 377.409 -2.195 20 0 GAADMN Cn1cnc(C(=O)NCC2(O)CN(CC(=O)NCc3c[nH]nn3)C2)cc1=O ZINC001577673082 1075315673 /nfs/dbraw/zinc/31/56/73/1075315673.db2.gz TVPNUCAYNCUWRF-UHFFFAOYSA-N 0 1 376.377 -3.009 20 0 GAADMN Cn1cnc(C(=O)NCC2(O)CN(C(=O)CC(=O)NCc3c[nH]nn3)C2)c1 ZINC001577673128 1075315577 /nfs/dbraw/zinc/31/55/77/1075315577.db2.gz WGGKNAKXSYXLBV-UHFFFAOYSA-N 0 1 376.377 -2.452 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)cc1=O ZINC001577673134 1075315536 /nfs/dbraw/zinc/31/55/36/1075315536.db2.gz WPELCSNKVFJOMA-LLVKDONJSA-N 0 1 375.389 -1.164 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001577673207 1075315557 /nfs/dbraw/zinc/31/55/57/1075315557.db2.gz XMOQLIRENPAYAJ-OLZOCXBDSA-N 0 1 383.372 -1.390 20 0 GAADMN Cn1cnc(C(=O)N2CCC(N(Cc3c[nH]nn3)C(=O)C(N)=O)CC2)cc1=O ZINC001577673265 1075315611 /nfs/dbraw/zinc/31/56/11/1075315611.db2.gz YDTCMNUGWYBRAL-UHFFFAOYSA-N 0 1 388.388 -1.983 20 0 GAADMN Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cncc(-c4cn[nH]n4)c3)C2)n1 ZINC001577673274 1075316227 /nfs/dbraw/zinc/31/62/27/1075316227.db2.gz YFSJVAVUIRJKDF-CHWSQXEVSA-N 0 1 383.372 -1.390 20 0 GAADMN Cn1cnc(C(=O)N2CC(CNC(=O)CCOCc3c[nH]nn3)C2)cc1=O ZINC001577673278 1075316138 /nfs/dbraw/zinc/31/61/38/1075316138.db2.gz YJPICTJSRHBRSE-UHFFFAOYSA-N 0 1 375.389 -1.307 20 0 GAADMN Cn1cnc(C(=O)N2CCN(C3CN(CC(=O)NCc4c[nH]nn4)C3)CC2)n1 ZINC001577673301 1075316130 /nfs/dbraw/zinc/31/61/30/1075316130.db2.gz YQEPETWKPAUEPB-UHFFFAOYSA-N 0 1 388.436 -2.308 20 0 GAADMN Cn1cnc(C(=O)NCCCN(CC(=O)NCc2cn[nH]n2)C2CC2)cc1=O ZINC001577673326 1075316059 /nfs/dbraw/zinc/31/60/59/1075316059.db2.gz YXJPKKAYMUHMBY-UHFFFAOYSA-N 0 1 388.432 -1.201 20 0 GAADMN Cn1cnc2c1ncnc2N[C@H](CO)CNC(=O)CCOCc1c[nH]nn1 ZINC001577675055 1075316280 /nfs/dbraw/zinc/31/62/80/1075316280.db2.gz HSYNHPPJNVETSZ-JTQLQIEISA-N 0 1 375.393 -1.023 20 0 GAADMN Cn1cnc2c1ncnc2N[C@@H](CO)CNC(=O)CCOCc1c[nH]nn1 ZINC001577675056 1075316122 /nfs/dbraw/zinc/31/61/22/1075316122.db2.gz HSYNHPPJNVETSZ-SNVBAGLBSA-N 0 1 375.393 -1.023 20 0 GAADMN Cn1cncc1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577675057 1075316172 /nfs/dbraw/zinc/31/61/72/1075316172.db2.gz HTPOUMRAQWZWBR-AWEZNQCLSA-N 0 1 390.448 -1.247 20 0 GAADMN Cn1cncc1CC(=O)NC[C@H]1CCCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577677909 1075316663 /nfs/dbraw/zinc/31/66/63/1075316663.db2.gz ACNCZEOVOLLBAS-CYBMUJFWSA-N 0 1 388.432 -1.106 20 0 GAADMN Cn1cncc1CC(=O)NC[C@@H]1CCCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577677910 1075316703 /nfs/dbraw/zinc/31/67/03/1075316703.db2.gz ACNCZEOVOLLBAS-ZDUSSCGKSA-N 0 1 388.432 -1.106 20 0 GAADMN Cn1cnn(CCC(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NCc2c[nH]nn2)c1=O ZINC001577677969 1075316681 /nfs/dbraw/zinc/31/66/81/1075316681.db2.gz BYZFDTMVCVPTIR-STQMWFEESA-N 0 1 389.420 -2.309 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@@H]2CNC(=O)CCCc2cnn[nH]2)c1=O ZINC001577677973 1075316740 /nfs/dbraw/zinc/31/67/40/1075316740.db2.gz CCXPDTQKHJQWCV-CYBMUJFWSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@@H]2CNC(=O)CCCc2c[nH]nn2)c1=O ZINC001577677973 1075316736 /nfs/dbraw/zinc/31/67/36/1075316736.db2.gz CCXPDTQKHJQWCV-CYBMUJFWSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@H]2CNC(=O)CCCc2cnn[nH]2)c1=O ZINC001577677974 1075316544 /nfs/dbraw/zinc/31/65/44/1075316544.db2.gz CCXPDTQKHJQWCV-ZDUSSCGKSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@H]2CNC(=O)CCCc2c[nH]nn2)c1=O ZINC001577677974 1075316542 /nfs/dbraw/zinc/31/65/42/1075316542.db2.gz CCXPDTQKHJQWCV-ZDUSSCGKSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577677988 1075316517 /nfs/dbraw/zinc/31/65/17/1075316517.db2.gz CSAOCMWHWVPFJY-LLVKDONJSA-N 0 1 378.393 -1.976 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577677989 1075316629 /nfs/dbraw/zinc/31/66/29/1075316629.db2.gz CSAOCMWHWVPFJY-NSHDSACASA-N 0 1 378.393 -1.976 20 0 GAADMN Cn1cnn(CCC(=O)N[C@@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577678030 1075316984 /nfs/dbraw/zinc/31/69/84/1075316984.db2.gz DZYOSCRBKMPLLP-GFCCVEGCSA-N 0 1 392.420 -1.586 20 0 GAADMN Cn1cnn(CCC(=O)N[C@H]2CCN(C(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577678031 1075317055 /nfs/dbraw/zinc/31/70/55/1075317055.db2.gz DZYOSCRBKMPLLP-LBPRGKRZSA-N 0 1 392.420 -1.586 20 0 GAADMN Cn1cnn(CC(=O)N[C@H]2C[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577678131 1075317192 /nfs/dbraw/zinc/31/71/92/1075317192.db2.gz HSNOCIDPJZYOJQ-XYPYZODXSA-N 0 1 378.393 -1.930 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CCN(C(=O)CCCCc3cn[nH]n3)C2)c1=O ZINC001577678159 1075317100 /nfs/dbraw/zinc/31/71/00/1075317100.db2.gz IPISZLRMAAQIEL-CYBMUJFWSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N[C@H]2CCN(C(=O)CCCCc3cn[nH]n3)C2)c1=O ZINC001577678160 1075317137 /nfs/dbraw/zinc/31/71/37/1075317137.db2.gz IPISZLRMAAQIEL-ZDUSSCGKSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CC(n3cc(CNCCc4cn[nH]n4)nn3)C2)c1=O ZINC001577678182 1075317072 /nfs/dbraw/zinc/31/70/72/1075317072.db2.gz JIXFFPWEUSCPQT-UHFFFAOYSA-N 0 1 387.408 -2.293 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2CCN2C(=O)CC(=O)NCc2c[nH]nn2)c1=O ZINC001577678185 1075317154 /nfs/dbraw/zinc/31/71/54/1075317154.db2.gz JLPAVOIGSIURGA-LLVKDONJSA-N 0 1 391.392 -2.877 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H]2CCN2C(=O)CC(=O)NCc2c[nH]nn2)c1=O ZINC001577678186 1075317125 /nfs/dbraw/zinc/31/71/25/1075317125.db2.gz JLPAVOIGSIURGA-NSHDSACASA-N 0 1 391.392 -2.877 20 0 GAADMN Cn1cnn(CC(=O)NCCN(C(=O)CCCc2cnn[nH]2)C2CC2)c1=O ZINC001577678197 1075317116 /nfs/dbraw/zinc/31/71/16/1075317116.db2.gz JXEIFGJJHMTPFW-UHFFFAOYSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)NCCN(C(=O)CCCc2c[nH]nn2)C2CC2)c1=O ZINC001577678197 1075317112 /nfs/dbraw/zinc/31/71/12/1075317112.db2.gz JXEIFGJJHMTPFW-UHFFFAOYSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cncc1CC(=O)NC[C@H](CO)NC(=O)CC(=O)NCc1c[nH]nn1 ZINC001577678208 1075317174 /nfs/dbraw/zinc/31/71/74/1075317174.db2.gz KAQCMFRXYQYCMX-LLVKDONJSA-N 0 1 378.393 -2.620 20 0 GAADMN Cn1cncc1CC(=O)NC[C@@H](CO)NC(=O)CC(=O)NCc1c[nH]nn1 ZINC001577678209 1075317012 /nfs/dbraw/zinc/31/70/12/1075317012.db2.gz KAQCMFRXYQYCMX-NSHDSACASA-N 0 1 378.393 -2.620 20 0 GAADMN Cn1cnnc1CN1CCC(N(Cc2c[nH]nn2)C(=O)Cn2ncnn2)CC1 ZINC001577678212 1075317182 /nfs/dbraw/zinc/31/71/82/1075317182.db2.gz KFSHLFBPKROHFZ-UHFFFAOYSA-N 0 1 386.424 -1.387 20 0 GAADMN Cn1cncc1CC(=O)NC[C@@]1(O)CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577678214 1075317163 /nfs/dbraw/zinc/31/71/63/1075317163.db2.gz KJDOKIYGLQCLAH-INIZCTEOSA-N 0 1 376.421 -2.050 20 0 GAADMN Cn1cncc1CC(=O)NC[C@]1(O)CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577678215 1075317044 /nfs/dbraw/zinc/31/70/44/1075317044.db2.gz KJDOKIYGLQCLAH-MRXNPFEDSA-N 0 1 376.421 -2.050 20 0 GAADMN Cn1cnn(CCC(=O)N[C@@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@@H]2O)c1=O ZINC001577678231 1075317087 /nfs/dbraw/zinc/31/70/87/1075317087.db2.gz KTUPBKPCWCBUIE-NEPJUHHUSA-N 0 1 393.408 -3.432 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@H](NC(=O)C3(Cc4cnn[nH]4)CCC3)C2)c1=O ZINC001577678239 1075317439 /nfs/dbraw/zinc/31/74/39/1075317439.db2.gz LGDISBOTXWYKGH-LBPRGKRZSA-N 0 1 388.432 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@H](NC(=O)C3(Cc4c[nH]nn4)CCC3)C2)c1=O ZINC001577678239 1075317434 /nfs/dbraw/zinc/31/74/34/1075317434.db2.gz LGDISBOTXWYKGH-LBPRGKRZSA-N 0 1 388.432 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@H](CNC(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577678262 1075317552 /nfs/dbraw/zinc/31/75/52/1075317552.db2.gz MBYNXOMMXVRVAN-GFCCVEGCSA-N 0 1 392.420 -1.729 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@@H](CNC(=O)CCOCc3c[nH]nn3)C2)c1=O ZINC001577678263 1075317545 /nfs/dbraw/zinc/31/75/45/1075317545.db2.gz MBYNXOMMXVRVAN-LBPRGKRZSA-N 0 1 392.420 -1.729 20 0 GAADMN Cn1cnn(CC(=O)NCC2CN(C(=O)C3(Cc4cnn[nH]4)CCC3)C2)c1=O ZINC001577678276 1075317715 /nfs/dbraw/zinc/31/77/15/1075317715.db2.gz MIOCJABWLJIVQU-UHFFFAOYSA-N 0 1 388.432 -1.313 20 0 GAADMN Cn1cnn(CC(=O)NCC2CN(C(=O)C3(Cc4c[nH]nn4)CCC3)C2)c1=O ZINC001577678276 1075317713 /nfs/dbraw/zinc/31/77/13/1075317713.db2.gz MIOCJABWLJIVQU-UHFFFAOYSA-N 0 1 388.432 -1.313 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CCCN(C(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577678277 1075317470 /nfs/dbraw/zinc/31/74/70/1075317470.db2.gz MIVPBRQXQJXZNH-CYBMUJFWSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CCCN(C(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577678277 1075317463 /nfs/dbraw/zinc/31/74/63/1075317463.db2.gz MIVPBRQXQJXZNH-CYBMUJFWSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N[C@H]2CCCN(C(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577678278 1075317707 /nfs/dbraw/zinc/31/77/07/1075317707.db2.gz MIVPBRQXQJXZNH-ZDUSSCGKSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N[C@H]2CCCN(C(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577678278 1075317703 /nfs/dbraw/zinc/31/77/03/1075317703.db2.gz MIVPBRQXQJXZNH-ZDUSSCGKSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N(Cc2c[nH]nn2)C2CCN(CC(N)=O)CC2)c1=O ZINC001577678281 1075317416 /nfs/dbraw/zinc/31/74/16/1075317416.db2.gz MMMYVJOWNANKOE-UHFFFAOYSA-N 0 1 377.409 -2.322 20 0 GAADMN Cn1cnn(CCC(=O)N2CCC3(CC2)CN(Cc2c[nH]nn2)CCO3)c1=O ZINC001577678337 1075317691 /nfs/dbraw/zinc/31/76/91/1075317691.db2.gz OOKVBGSGQIOANW-UHFFFAOYSA-N 0 1 390.448 -1.016 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@](O)(CNC(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577678350 1075317584 /nfs/dbraw/zinc/31/75/84/1075317584.db2.gz PFMYIGQDLLIJMM-INIZCTEOSA-N 0 1 392.420 -2.198 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@](O)(CNC(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577678350 1075317577 /nfs/dbraw/zinc/31/75/77/1075317577.db2.gz PFMYIGQDLLIJMM-INIZCTEOSA-N 0 1 392.420 -2.198 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@@](O)(CNC(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577678351 1075317666 /nfs/dbraw/zinc/31/76/66/1075317666.db2.gz PFMYIGQDLLIJMM-MRXNPFEDSA-N 0 1 392.420 -2.198 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@@](O)(CNC(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577678351 1075317654 /nfs/dbraw/zinc/31/76/54/1075317654.db2.gz PFMYIGQDLLIJMM-MRXNPFEDSA-N 0 1 392.420 -2.198 20 0 GAADMN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577678358 1075317529 /nfs/dbraw/zinc/31/75/29/1075317529.db2.gz PIBAMNQZKGUYDF-CHWSQXEVSA-N 0 1 386.416 -1.325 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CN(C(=O)CCCc3cnn[nH]3)C[C@H]2O)c1=O ZINC001577678385 1075317613 /nfs/dbraw/zinc/31/76/13/1075317613.db2.gz QAWZDQAODBJGLQ-VXGBXAGGSA-N 0 1 378.393 -2.589 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CN(C(=O)CCCc3c[nH]nn3)C[C@H]2O)c1=O ZINC001577678385 1075317606 /nfs/dbraw/zinc/31/76/06/1075317606.db2.gz QAWZDQAODBJGLQ-VXGBXAGGSA-N 0 1 378.393 -2.589 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H]2COCCN2C(=O)CCCc2cnn[nH]2)c1=O ZINC001577678404 1075317567 /nfs/dbraw/zinc/31/75/67/1075317567.db2.gz QVIIIHNOJXIRGJ-CYBMUJFWSA-N 0 1 392.420 -1.934 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H]2COCCN2C(=O)CCCc2c[nH]nn2)c1=O ZINC001577678404 1075317562 /nfs/dbraw/zinc/31/75/62/1075317562.db2.gz QVIIIHNOJXIRGJ-CYBMUJFWSA-N 0 1 392.420 -1.934 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2COCCN2C(=O)CCCc2cnn[nH]2)c1=O ZINC001577678405 1075317455 /nfs/dbraw/zinc/31/74/55/1075317455.db2.gz QVIIIHNOJXIRGJ-ZDUSSCGKSA-N 0 1 392.420 -1.934 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2COCCN2C(=O)CCCc2c[nH]nn2)c1=O ZINC001577678405 1075317450 /nfs/dbraw/zinc/31/74/50/1075317450.db2.gz QVIIIHNOJXIRGJ-ZDUSSCGKSA-N 0 1 392.420 -1.934 20 0 GAADMN Cn1cncc1CC(=O)NCC1(O)CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577678417 1075317499 /nfs/dbraw/zinc/31/74/99/1075317499.db2.gz RHDQVNKGHXVYNL-UHFFFAOYSA-N 0 1 390.404 -2.523 20 0 GAADMN Cn1cnnc1CN1CCC(N(Cc2c[nH]nn2)C(=O)CCNC(N)=O)CC1 ZINC001577678430 1075317632 /nfs/dbraw/zinc/31/76/32/1075317632.db2.gz RMUUHCOWBTZNBR-UHFFFAOYSA-N 0 1 390.452 -1.015 20 0 GAADMN Cn1cncc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577678447 1075317513 /nfs/dbraw/zinc/31/75/13/1075317513.db2.gz SDLXLXSWDWAIMN-HIFRSBDPSA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1cncc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577678448 1075317484 /nfs/dbraw/zinc/31/74/84/1075317484.db2.gz SDLXLXSWDWAIMN-ZFWWWQNUSA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1cnn(CC(=O)NCC2=CCN(C(=O)CCCc3cnn[nH]3)CC2)c1=O ZINC001577678449 1075318143 /nfs/dbraw/zinc/31/81/43/1075318143.db2.gz SGQXOZDBALARJJ-UHFFFAOYSA-N 0 1 388.432 -1.002 20 0 GAADMN Cn1cnn(CC(=O)NCC2=CCN(C(=O)CCCc3c[nH]nn3)CC2)c1=O ZINC001577678449 1075318137 /nfs/dbraw/zinc/31/81/37/1075318137.db2.gz SGQXOZDBALARJJ-UHFFFAOYSA-N 0 1 388.432 -1.002 20 0 GAADMN Cn1cnnc1CN[C@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577678452 1075318043 /nfs/dbraw/zinc/31/80/43/1075318043.db2.gz SIOICKNURIUTKJ-AWEZNQCLSA-N 0 1 377.453 -1.588 20 0 GAADMN Cn1cnnc1CN[C@@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577678453 1075318002 /nfs/dbraw/zinc/31/80/02/1075318002.db2.gz SIOICKNURIUTKJ-CQSZACIVSA-N 0 1 377.453 -1.588 20 0 GAADMN Cn1cnn(CC(=O)N2CCCN(C(=O)CCCc3cnn[nH]3)CC2)c1=O ZINC001577678487 1075318188 /nfs/dbraw/zinc/31/81/88/1075318188.db2.gz UIHVCISDDMENTO-UHFFFAOYSA-N 0 1 376.421 -1.216 20 0 GAADMN Cn1cnn(CC(=O)N2CCCN(C(=O)CCCc3c[nH]nn3)CC2)c1=O ZINC001577678487 1075318186 /nfs/dbraw/zinc/31/81/86/1075318186.db2.gz UIHVCISDDMENTO-UHFFFAOYSA-N 0 1 376.421 -1.216 20 0 GAADMN Cn1cnn(CC(=O)N[C@H](CNC(=O)CCCc2cnn[nH]2)C2CC2)c1=O ZINC001577678516 1075318200 /nfs/dbraw/zinc/31/82/00/1075318200.db2.gz VHTPGUKMOUFVMB-CYBMUJFWSA-N 0 1 376.421 -1.266 20 0 GAADMN Cn1cnn(CC(=O)N[C@H](CNC(=O)CCCc2c[nH]nn2)C2CC2)c1=O ZINC001577678516 1075318198 /nfs/dbraw/zinc/31/81/98/1075318198.db2.gz VHTPGUKMOUFVMB-CYBMUJFWSA-N 0 1 376.421 -1.266 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H](CNC(=O)CCCc2cnn[nH]2)C2CC2)c1=O ZINC001577678517 1075317916 /nfs/dbraw/zinc/31/79/16/1075317916.db2.gz VHTPGUKMOUFVMB-ZDUSSCGKSA-N 0 1 376.421 -1.266 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H](CNC(=O)CCCc2c[nH]nn2)C2CC2)c1=O ZINC001577678517 1075317910 /nfs/dbraw/zinc/31/79/10/1075317910.db2.gz VHTPGUKMOUFVMB-ZDUSSCGKSA-N 0 1 376.421 -1.266 20 0 GAADMN Cn1cnn(CCC(=O)N2CC[C@@H]2CNC(=O)CCCc2cnn[nH]2)c1=O ZINC001577678522 1075318177 /nfs/dbraw/zinc/31/81/77/1075318177.db2.gz VLCXGWSLALLFKW-CYBMUJFWSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CCC(=O)N2CC[C@@H]2CNC(=O)CCCc2c[nH]nn2)c1=O ZINC001577678522 1075318170 /nfs/dbraw/zinc/31/81/70/1075318170.db2.gz VLCXGWSLALLFKW-CYBMUJFWSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CCC(=O)N2CC[C@H]2CNC(=O)CCCc2cnn[nH]2)c1=O ZINC001577678523 1075318090 /nfs/dbraw/zinc/31/80/90/1075318090.db2.gz VLCXGWSLALLFKW-ZDUSSCGKSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CCC(=O)N2CC[C@H]2CNC(=O)CCCc2c[nH]nn2)c1=O ZINC001577678523 1075318087 /nfs/dbraw/zinc/31/80/87/1075318087.db2.gz VLCXGWSLALLFKW-ZDUSSCGKSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CCCCc3cn[nH]n3)C2)c1=O ZINC001577678536 1075317961 /nfs/dbraw/zinc/31/79/61/1075317961.db2.gz VYOCLADNAGQLIN-CHWSQXEVSA-N 0 1 392.420 -2.199 20 0 GAADMN Cn1cnn(CC(=O)N[C@@]2(C)CCN(C(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577678539 1075317897 /nfs/dbraw/zinc/31/78/97/1075317897.db2.gz WCBWAXKHABMOQF-INIZCTEOSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N[C@@]2(C)CCN(C(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577678539 1075317887 /nfs/dbraw/zinc/31/78/87/1075317887.db2.gz WCBWAXKHABMOQF-INIZCTEOSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N[C@]2(C)CCN(C(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577678540 1075318128 /nfs/dbraw/zinc/31/81/28/1075318128.db2.gz WCBWAXKHABMOQF-MRXNPFEDSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N[C@]2(C)CCN(C(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577678540 1075318125 /nfs/dbraw/zinc/31/81/25/1075318125.db2.gz WCBWAXKHABMOQF-MRXNPFEDSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@](C)(NC(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577678577 1075317986 /nfs/dbraw/zinc/31/79/86/1075317986.db2.gz WVXRLMNMBLRNCQ-INIZCTEOSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@](C)(NC(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577678577 1075317979 /nfs/dbraw/zinc/31/79/79/1075317979.db2.gz WVXRLMNMBLRNCQ-INIZCTEOSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@@](C)(NC(=O)CCCc3cnn[nH]3)C2)c1=O ZINC001577678578 1075318115 /nfs/dbraw/zinc/31/81/15/1075318115.db2.gz WVXRLMNMBLRNCQ-MRXNPFEDSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@@](C)(NC(=O)CCCc3c[nH]nn3)C2)c1=O ZINC001577678578 1075318111 /nfs/dbraw/zinc/31/81/11/1075318111.db2.gz WVXRLMNMBLRNCQ-MRXNPFEDSA-N 0 1 376.421 -1.170 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2CCCN2CC(=O)NCc2c[nH]nn2)c1=O ZINC001577678604 1075318097 /nfs/dbraw/zinc/31/80/97/1075318097.db2.gz YDBYLNHTVDTJRL-GFCCVEGCSA-N 0 1 377.409 -2.403 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H]2CCCN2CC(=O)NCc2c[nH]nn2)c1=O ZINC001577678605 1075318060 /nfs/dbraw/zinc/31/80/60/1075318060.db2.gz YDBYLNHTVDTJRL-LBPRGKRZSA-N 0 1 377.409 -2.403 20 0 GAADMN Cn1cnn(CCC(=O)N(Cc2c[nH]nn2)C2CCN(CC(N)=O)CC2)c1=O ZINC001577678642 1075318152 /nfs/dbraw/zinc/31/81/52/1075318152.db2.gz ZKCZASBGVZNSSZ-UHFFFAOYSA-N 0 1 391.436 -1.932 20 0 GAADMN Cn1cnnc1CN1CC(N2C[C@H](NC(=O)CCCc3cnn[nH]3)CC2=O)C1 ZINC001577678650 1075317871 /nfs/dbraw/zinc/31/78/71/1075317871.db2.gz ZZVVZABHWKOUFY-CYBMUJFWSA-N 0 1 387.448 -1.143 20 0 GAADMN Cn1cnnc1CN1CC(N2C[C@H](NC(=O)CCCc3c[nH]nn3)CC2=O)C1 ZINC001577678650 1075317864 /nfs/dbraw/zinc/31/78/64/1075317864.db2.gz ZZVVZABHWKOUFY-CYBMUJFWSA-N 0 1 387.448 -1.143 20 0 GAADMN Cn1cnnc1CN1CC(N2C[C@@H](NC(=O)CCCc3cnn[nH]3)CC2=O)C1 ZINC001577678651 1075317938 /nfs/dbraw/zinc/31/79/38/1075317938.db2.gz ZZVVZABHWKOUFY-ZDUSSCGKSA-N 0 1 387.448 -1.143 20 0 GAADMN Cn1cnnc1CN1CC(N2C[C@@H](NC(=O)CCCc3c[nH]nn3)CC2=O)C1 ZINC001577678651 1075317933 /nfs/dbraw/zinc/31/79/33/1075317933.db2.gz ZZVVZABHWKOUFY-ZDUSSCGKSA-N 0 1 387.448 -1.143 20 0 GAADMN CCCNC(=O)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001577679106 1075318456 /nfs/dbraw/zinc/31/84/56/1075318456.db2.gz RKIQHIHWUPEXOF-GHMZBOCLSA-N 0 1 389.420 -1.371 20 0 GAADMN CCCNC(=O)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001577679107 1075318513 /nfs/dbraw/zinc/31/85/13/1075318513.db2.gz RKIQHIHWUPEXOF-MNOVXSKESA-N 0 1 389.420 -1.371 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2CN(C(=O)CCCCc3cn[nH]n3)C[C@@H]2O)ccc1=O ZINC001577680118 1075318441 /nfs/dbraw/zinc/31/84/41/1075318441.db2.gz DDFIDTADJBZKTB-KGLIPLIRSA-N 0 1 389.416 -1.387 20 0 GAADMN Cn1nc(C(=O)NCCCNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)ccc1=O ZINC001577680138 1075318485 /nfs/dbraw/zinc/31/84/85/1075318485.db2.gz DXTOWNJCSXFFEE-AWEZNQCLSA-N 0 1 388.432 -1.201 20 0 GAADMN Cn1nc(C(=O)N2CCN(Cc3c[nH]nn3)[C@H]3CS(=O)(=O)C[C@H]32)ccc1=O ZINC001577680282 1075318519 /nfs/dbraw/zinc/31/85/19/1075318519.db2.gz KBVLGVLHWXXEMY-QWHCGFSZSA-N 0 1 393.429 -1.978 20 0 GAADMN Cn1nc(C(=O)NCC2(O)CN(CC(=O)NCc3c[nH]nn3)C2)cc1Cl ZINC001577680340 1075318541 /nfs/dbraw/zinc/31/85/41/1075318541.db2.gz LZHFBQJXXIOKPG-UHFFFAOYSA-N 0 1 382.812 -1.716 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]2O)c2ccccc21 ZINC001577680494 1075318477 /nfs/dbraw/zinc/31/84/77/1075318477.db2.gz RKEYBXRFQWQPPK-UKRRQHHQSA-N 0 1 398.427 -1.217 20 0 GAADMN Cn1nc(C(=O)NC[C@@H]2CN(CC(=O)NCc3c[nH]nn3)CCO2)ccc1=O ZINC001577680663 1075318465 /nfs/dbraw/zinc/31/84/65/1075318465.db2.gz UAYOQFVHMWYAHF-GFCCVEGCSA-N 0 1 390.404 -2.355 20 0 GAADMN Cn1nc(C(=O)NC[C@H]2CN(CC(=O)NCc3c[nH]nn3)CCO2)ccc1=O ZINC001577680664 1075318379 /nfs/dbraw/zinc/31/83/79/1075318379.db2.gz UAYOQFVHMWYAHF-LBPRGKRZSA-N 0 1 390.404 -2.355 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2c[nH]nn2)ccc1=O ZINC001577680721 1075318902 /nfs/dbraw/zinc/31/89/02/1075318902.db2.gz VMWMUKAVHFRZCW-BNOWGMLFSA-N 0 1 386.416 -1.450 20 0 GAADMN Cn1cnnc1COCC(=O)N1CC(NC(=O)CCOCc2c[nH]nn2)C1 ZINC001577680724 1075319102 /nfs/dbraw/zinc/31/91/02/1075319102.db2.gz VPYPTLKAKCRYPM-UHFFFAOYSA-N 0 1 378.393 -1.616 20 0 GAADMN Cn1nc(C(=O)N2CC(CCO)(NC(=O)CCCc3cnn[nH]3)C2)ccc1=O ZINC001577680847 1075318978 /nfs/dbraw/zinc/31/89/78/1075318978.db2.gz WHNJLBRYUKICIL-UHFFFAOYSA-N 0 1 389.416 -1.386 20 0 GAADMN Cn1nc(C(=O)N2CC(CCO)(NC(=O)CCCc3c[nH]nn3)C2)ccc1=O ZINC001577680847 1075318975 /nfs/dbraw/zinc/31/89/75/1075318975.db2.gz WHNJLBRYUKICIL-UHFFFAOYSA-N 0 1 389.416 -1.386 20 0 GAADMN Cn1nc(C(=O)N2CC3(C2)CCN(CC(=O)NCc2c[nH]nn2)C3)ccc1=O ZINC001577680885 1075318799 /nfs/dbraw/zinc/31/87/99/1075318799.db2.gz XJZCCZLEHCYAAR-UHFFFAOYSA-N 0 1 386.416 -1.637 20 0 GAADMN Cn1cnnc1COCC(=O)N1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577680976 1075319112 /nfs/dbraw/zinc/31/91/12/1075319112.db2.gz ZEABDFLNLURKNI-UHFFFAOYSA-N 0 1 377.409 -2.090 20 0 GAADMN Cn1[nH]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)nc1=O ZINC001577683107 1075319344 /nfs/dbraw/zinc/31/93/44/1075319344.db2.gz DLSIQJHTCAGULE-OLZOCXBDSA-N 0 1 375.437 -1.418 20 0 GAADMN Cn1[nH]c(CN2CC[C@H]2CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)nc1=O ZINC001577683108 1075319416 /nfs/dbraw/zinc/31/94/16/1075319416.db2.gz DLSIQJHTCAGULE-STQMWFEESA-N 0 1 375.437 -1.418 20 0 GAADMN Cn1[nH]c(CN2CC[C@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)nc1=O ZINC001577683282 1075319354 /nfs/dbraw/zinc/31/93/54/1075319354.db2.gz JSNUAWLBYKOGHI-AAEUAGOBSA-N 0 1 375.437 -1.418 20 0 GAADMN Cn1[nH]c(CN2CC[C@@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)nc1=O ZINC001577683283 1075319495 /nfs/dbraw/zinc/31/94/95/1075319495.db2.gz JSNUAWLBYKOGHI-YPMHNXCESA-N 0 1 375.437 -1.418 20 0 GAADMN Cn1[nH]c(CN2CCO[C@@](C)(CNC(=O)CCCc3c[nH]nn3)C2)nc1=O ZINC001577683355 1075319465 /nfs/dbraw/zinc/31/94/65/1075319465.db2.gz MOFPLFANEZWUGE-INIZCTEOSA-N 0 1 378.437 -1.044 20 0 GAADMN Cn1[nH]c(CN2CCO[C@](C)(CNC(=O)CCCc3c[nH]nn3)C2)nc1=O ZINC001577683356 1075320027 /nfs/dbraw/zinc/32/00/27/1075320027.db2.gz MOFPLFANEZWUGE-MRXNPFEDSA-N 0 1 378.437 -1.044 20 0 GAADMN Cn1ncc(C(=O)N(Cc2c[nH]nn2)C2CCN(Cc3nnnn3C)CC2)n1 ZINC001577683399 1075319978 /nfs/dbraw/zinc/31/99/78/1075319978.db2.gz NVRMCBKLESKCKN-UHFFFAOYSA-N 0 1 386.424 -1.236 20 0 GAADMN Cn1ncc(C(=O)N2CC[C@@H](NC(=O)CCOCc3c[nH]nn3)[C@H](O)C2)c1N ZINC001577683429 1075320021 /nfs/dbraw/zinc/32/00/21/1075320021.db2.gz OPERPBATAQUILY-CHWSQXEVSA-N 0 1 392.420 -1.581 20 0 GAADMN Cn1ncc(C(=O)N2CC[C@@H](NC(=O)CCOCc3c[nH]nn3)[C@@H](O)C2)c1N ZINC001577683430 1075319999 /nfs/dbraw/zinc/31/99/99/1075319999.db2.gz OPERPBATAQUILY-OLZOCXBDSA-N 0 1 392.420 -1.581 20 0 GAADMN Cn1ncc(C(=O)N2CC[C@H](NC(=O)CCOCc3c[nH]nn3)[C@H](O)C2)c1N ZINC001577683431 1075320009 /nfs/dbraw/zinc/32/00/09/1075320009.db2.gz OPERPBATAQUILY-QWHCGFSZSA-N 0 1 392.420 -1.581 20 0 GAADMN Cn1ncc(C(=O)N2CC[C@H](NC(=O)CCOCc3c[nH]nn3)[C@@H](O)C2)c1N ZINC001577683432 1075319970 /nfs/dbraw/zinc/31/99/70/1075319970.db2.gz OPERPBATAQUILY-STQMWFEESA-N 0 1 392.420 -1.581 20 0 GAADMN Cn1ncc(C(=O)N(Cc2c[nH]nn2)C2CCN(C(=O)CC(N)=O)CC2)c1N ZINC001577683568 1075319993 /nfs/dbraw/zinc/31/99/93/1075319993.db2.gz UFZQOAYEUJCYTH-UHFFFAOYSA-N 0 1 389.420 -1.371 20 0 GAADMN Cn1ncc(C(=O)N(CCO)CCNC(=O)c2ccc(-c3c[nH]nn3)nc2)n1 ZINC001577683601 1075320082 /nfs/dbraw/zinc/32/00/82/1075320082.db2.gz VIUAYZOOYCGEEF-UHFFFAOYSA-N 0 1 385.388 -1.140 20 0 GAADMN Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4cn[nH]n4)cn3)C2)nc1=O ZINC001577683616 1075320051 /nfs/dbraw/zinc/32/00/51/1075320051.db2.gz VUKPVTGOCSINGM-CHWSQXEVSA-N 0 1 385.388 -1.736 20 0 GAADMN Cn1[nH]c(CN2CCOC[C@H]2CNC(=O)CCOCc2c[nH]nn2)nc1=O ZINC001577683647 1075320072 /nfs/dbraw/zinc/32/00/72/1075320072.db2.gz XKXOTFVWYAZLCZ-GFCCVEGCSA-N 0 1 380.409 -1.850 20 0 GAADMN Cn1[nH]c(CN2CCOC[C@@H]2CNC(=O)CCOCc2c[nH]nn2)nc1=O ZINC001577683648 1075320035 /nfs/dbraw/zinc/32/00/35/1075320035.db2.gz XKXOTFVWYAZLCZ-LBPRGKRZSA-N 0 1 380.409 -1.850 20 0 GAADMN Cn1ncc(C(=O)NC[C@H](CO)NC(=O)C2(Cc3cnn[nH]3)CCC2)c1N ZINC001577685897 1075320520 /nfs/dbraw/zinc/32/05/20/1075320520.db2.gz AMZWIQONSAOKIN-LLVKDONJSA-N 0 1 376.421 -1.260 20 0 GAADMN Cn1ncc(C(=O)NC[C@H](CO)NC(=O)C2(Cc3c[nH]nn3)CCC2)c1N ZINC001577685897 1075320517 /nfs/dbraw/zinc/32/05/17/1075320517.db2.gz AMZWIQONSAOKIN-LLVKDONJSA-N 0 1 376.421 -1.260 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)C2(Cc3cnn[nH]3)CCC2)c1N ZINC001577685898 1075320352 /nfs/dbraw/zinc/32/03/52/1075320352.db2.gz AMZWIQONSAOKIN-NSHDSACASA-N 0 1 376.421 -1.260 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)C2(Cc3c[nH]nn3)CCC2)c1N ZINC001577685898 1075320347 /nfs/dbraw/zinc/32/03/47/1075320347.db2.gz AMZWIQONSAOKIN-NSHDSACASA-N 0 1 376.421 -1.260 20 0 GAADMN Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C[C@@H]2O)n1 ZINC001577685929 1075320435 /nfs/dbraw/zinc/32/04/35/1075320435.db2.gz BPGXXQHJRHDBRO-RDBSUJKOSA-N 0 1 389.420 -2.101 20 0 GAADMN Cn1ncc(C(=O)NCC2(O)CN(C(=O)c3cncc(-c4cn[nH]n4)c3)C2)n1 ZINC001577685968 1075320374 /nfs/dbraw/zinc/32/03/74/1075320374.db2.gz CYLLGLGZWFRMCN-UHFFFAOYSA-N 0 1 383.372 -1.388 20 0 GAADMN Cn1ncc(C(=O)NCC2(O)CN(C(=O)CCCCc3cn[nH]n3)C2)c1N ZINC001577686039 1075320479 /nfs/dbraw/zinc/32/04/79/1075320479.db2.gz GQKJKJXIVMJGQK-UHFFFAOYSA-N 0 1 376.421 -1.164 20 0 GAADMN Cn1ncc(C(=O)N[C@@H]2CN(C(=O)CCOCc3c[nH]nn3)C[C@@H]2O)c1N ZINC001577686089 1075320468 /nfs/dbraw/zinc/32/04/68/1075320468.db2.gz IGEMJCVOTVIEEZ-NEPJUHHUSA-N 0 1 378.393 -1.971 20 0 GAADMN Cn1ncc(C(=O)NC2(CNC(=O)CC(=O)NCc3c[nH]nn3)CCCC2)n1 ZINC001577686103 1075320532 /nfs/dbraw/zinc/32/05/32/1075320532.db2.gz IQCLVDLGGPXBSG-UHFFFAOYSA-N 0 1 389.420 -1.202 20 0 GAADMN Cn1ncc(C(=O)NC2CN(C(=O)CC(=O)NCc3c[nH]nn3)C2)c1Cl ZINC001577686141 1075320339 /nfs/dbraw/zinc/32/03/39/1075320339.db2.gz JWJOYFXCHYFOBD-UHFFFAOYSA-N 0 1 380.796 -1.161 20 0 GAADMN Cn1ncc(C(=O)NC[C@H](O)CNC(=O)c2cncc(-c3cn[nH]n3)c2)c1N ZINC001577686149 1075320422 /nfs/dbraw/zinc/32/04/22/1075320422.db2.gz KCKJKHAOOYXXFA-LLVKDONJSA-N 0 1 385.388 -1.297 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)c2cncc(-c3cn[nH]n3)c2)c1N ZINC001577686150 1075320384 /nfs/dbraw/zinc/32/03/84/1075320384.db2.gz KCKJKHAOOYXXFA-NSHDSACASA-N 0 1 385.388 -1.297 20 0 GAADMN Cn1ncc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4cn[nH]n4)cn3)[C@@H](O)C2)n1 ZINC001577686171 1075320456 /nfs/dbraw/zinc/32/04/56/1075320456.db2.gz LIRORRWHLWXBDL-KGLIPLIRSA-N 0 1 383.372 -1.390 20 0 GAADMN Cn1ncc(C(=O)N2C[C@H]3CCN(C(=O)CC(=O)NCc4c[nH]nn4)C[C@H]32)n1 ZINC001577686175 1075320329 /nfs/dbraw/zinc/32/03/29/1075320329.db2.gz LNZFCXSMJYXZQS-ZWNOBZJWSA-N 0 1 387.404 -1.687 20 0 GAADMN Cn1ncc(C(=O)N2CCOC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)n1 ZINC001577686179 1075320405 /nfs/dbraw/zinc/32/04/05/1075320405.db2.gz LPYCRQIERITNLJ-UHFFFAOYSA-N 0 1 375.393 -2.224 20 0 GAADMN Cn1ncc(C(=O)N[C@@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@@H]2O)c1C(F)F ZINC001577686257 1075320507 /nfs/dbraw/zinc/32/05/07/1075320507.db2.gz OBBJBMRWPJNJMP-MNOVXSKESA-N 0 1 398.374 -1.433 20 0 GAADMN Cn1ncc(C(=O)N2CCOC3(CN(C(=O)CCOCc4c[nH]nn4)C3)C2)n1 ZINC001577686271 1075320494 /nfs/dbraw/zinc/32/04/94/1075320494.db2.gz OICHQXAOJYDFHL-UHFFFAOYSA-N 0 1 390.404 -1.407 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)CCO2)n1 ZINC001577686304 1075320552 /nfs/dbraw/zinc/32/05/52/1075320552.db2.gz PYODWBPWSAZCIF-LLVKDONJSA-N 0 1 391.392 -2.403 20 0 GAADMN Cn1ncc(C(=O)NC[C@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)CCO2)n1 ZINC001577686305 1075320362 /nfs/dbraw/zinc/32/03/62/1075320362.db2.gz PYODWBPWSAZCIF-NSHDSACASA-N 0 1 391.392 -2.403 20 0 GAADMN Cn1ncc(C(=O)N2CC[C@H]3CN(C(=O)CC(=O)NCc4c[nH]nn4)C[C@H]32)n1 ZINC001577686333 1075320395 /nfs/dbraw/zinc/32/03/95/1075320395.db2.gz QUDSLSADAIBKDE-GXFFZTMASA-N 0 1 387.404 -1.687 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H]2CN(CC(=O)NCc3c[nH]nn3)CCCO2)c1N ZINC001577686353 1075320884 /nfs/dbraw/zinc/32/08/84/1075320884.db2.gz RMEDLUINZXDTDO-GFCCVEGCSA-N 0 1 391.436 -1.743 20 0 GAADMN Cn1ncc(C(=O)NC[C@H]2CN(CC(=O)NCc3c[nH]nn3)CCCO2)c1N ZINC001577686354 1075320846 /nfs/dbraw/zinc/32/08/46/1075320846.db2.gz RMEDLUINZXDTDO-LBPRGKRZSA-N 0 1 391.436 -1.743 20 0 GAADMN Cn1ncc(C(=O)NCC2(O)CN(C(=O)C3(Cc4cnn[nH]4)CCC3)C2)c1N ZINC001577686378 1075320904 /nfs/dbraw/zinc/32/09/04/1075320904.db2.gz SHYJASOGNVKXHD-UHFFFAOYSA-N 0 1 388.432 -1.164 20 0 GAADMN Cn1ncc(C(=O)NCC2(O)CN(C(=O)C3(Cc4c[nH]nn4)CCC3)C2)c1N ZINC001577686378 1075320901 /nfs/dbraw/zinc/32/09/01/1075320901.db2.gz SHYJASOGNVKXHD-UHFFFAOYSA-N 0 1 388.432 -1.164 20 0 GAADMN Cn1ncc(C(=O)NCC2(O)CCN(C(=O)CCOCc3c[nH]nn3)CC2)n1 ZINC001577686402 1075320801 /nfs/dbraw/zinc/32/08/01/1075320801.db2.gz UKGVFNSLITYJOY-UHFFFAOYSA-N 0 1 392.420 -1.377 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)CCOCc2c[nH]nn2)n1 ZINC001577686429 1075320829 /nfs/dbraw/zinc/32/08/29/1075320829.db2.gz VMMTYYNWIGMTBF-GFCCVEGCSA-N 0 1 378.393 -1.503 20 0 GAADMN Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)CCOCc2c[nH]nn2)n1 ZINC001577686430 1075320784 /nfs/dbraw/zinc/32/07/84/1075320784.db2.gz VMMTYYNWIGMTBF-LBPRGKRZSA-N 0 1 378.393 -1.503 20 0 GAADMN Cn1ncc(C(=O)N[C@@](C)(CNC(=O)CC(=O)NCc2c[nH]nn2)C2CC2)n1 ZINC001577686460 1075320891 /nfs/dbraw/zinc/32/08/91/1075320891.db2.gz WOGQDAHXPQHACU-INIZCTEOSA-N 0 1 389.420 -1.346 20 0 GAADMN Cn1ncc(C(=O)N[C@](C)(CNC(=O)CC(=O)NCc2c[nH]nn2)C2CC2)n1 ZINC001577686461 1075320914 /nfs/dbraw/zinc/32/09/14/1075320914.db2.gz WOGQDAHXPQHACU-MRXNPFEDSA-N 0 1 389.420 -1.346 20 0 GAADMN Cn1ncc(C(=O)N[C@@H]2COC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)c1N ZINC001577686535 1075320923 /nfs/dbraw/zinc/32/09/23/1075320923.db2.gz YLODENKPNJIHID-JTQLQIEISA-N 0 1 389.420 -1.990 20 0 GAADMN Cn1ncc(C(=O)N[C@H]2COC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)c1N ZINC001577686536 1075320836 /nfs/dbraw/zinc/32/08/36/1075320836.db2.gz YLODENKPNJIHID-SNVBAGLBSA-N 0 1 389.420 -1.990 20 0 GAADMN Cn1nccc1C(=O)NC[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577688552 1075320937 /nfs/dbraw/zinc/32/09/37/1075320937.db2.gz ACRTWQYAORFDKZ-GFCCVEGCSA-N 0 1 390.404 -1.798 20 0 GAADMN Cn1nccc1C(=O)NC[C@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577688553 1075320770 /nfs/dbraw/zinc/32/07/70/1075320770.db2.gz ACRTWQYAORFDKZ-LBPRGKRZSA-N 0 1 390.404 -1.798 20 0 GAADMN Cn1ncc(CCC(=O)N[C@@H]2CN(C(=O)CCOCc3c[nH]nn3)C[C@@H]2O)n1 ZINC001577688563 1075320823 /nfs/dbraw/zinc/32/08/23/1075320823.db2.gz AKGNCIHNIFZTTQ-KGLIPLIRSA-N 0 1 392.420 -1.839 20 0 GAADMN Cn1ncc2c1nc(NC[C@@H](O)CNC(=O)CCOCc1c[nH]nn1)[nH]c2=O ZINC001577688595 1075320763 /nfs/dbraw/zinc/32/07/63/1075320763.db2.gz BSCRLCMFSGRLGN-JTQLQIEISA-N 0 1 391.392 -1.317 20 0 GAADMN Cn1ncc2c1nc(NC[C@H](O)CNC(=O)CCOCc1c[nH]nn1)[nH]c2=O ZINC001577688596 1075320814 /nfs/dbraw/zinc/32/08/14/1075320814.db2.gz BSCRLCMFSGRLGN-SNVBAGLBSA-N 0 1 391.392 -1.317 20 0 GAADMN Cn1ncc(CCC(=O)NCC2(O)CN(C(=O)CCCc3cnn[nH]3)C2)n1 ZINC001577688772 1075320866 /nfs/dbraw/zinc/32/08/66/1075320866.db2.gz HBFPRYLQRGVEBK-UHFFFAOYSA-N 0 1 376.421 -1.422 20 0 GAADMN Cn1ncc(CCC(=O)NCC2(O)CN(C(=O)CCCc3c[nH]nn3)C2)n1 ZINC001577688772 1075320863 /nfs/dbraw/zinc/32/08/63/1075320863.db2.gz HBFPRYLQRGVEBK-UHFFFAOYSA-N 0 1 376.421 -1.422 20 0 GAADMN Cn1nccc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577688831 1075320778 /nfs/dbraw/zinc/32/07/78/1075320778.db2.gz IXKKTTQHBDJQLB-JSGCOSHPSA-N 0 1 376.421 -1.590 20 0 GAADMN Cn1nccc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577688832 1075320854 /nfs/dbraw/zinc/32/08/54/1075320854.db2.gz IXKKTTQHBDJQLB-OCCSQVGLSA-N 0 1 376.421 -1.590 20 0 GAADMN Cn1ncc(CN2CCC(CO)(NC(=O)CCOCc3c[nH]nn3)CC2)n1 ZINC001577688878 1075320791 /nfs/dbraw/zinc/32/07/91/1075320791.db2.gz KOGLPQSBKQGVOQ-UHFFFAOYSA-N 0 1 378.437 -1.017 20 0 GAADMN Cn1nccc1C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577688918 1075321355 /nfs/dbraw/zinc/32/13/55/1075321355.db2.gz LRDGYSCEFPVVBR-ZYHUDNBSSA-N 0 1 376.377 -2.454 20 0 GAADMN Cn1nccc1C(=O)N1CC[C@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577689000 1075321292 /nfs/dbraw/zinc/32/12/92/1075321292.db2.gz NYXJNVRMODGGHT-SMDDNHRTSA-N 0 1 386.416 -1.082 20 0 GAADMN Cn1nccc1C(=O)NC[C@H](CO)NC(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001577689027 1075321252 /nfs/dbraw/zinc/32/12/52/1075321252.db2.gz OXYKLSJEJGBROM-CYBMUJFWSA-N 0 1 391.432 -1.215 20 0 GAADMN Cn1nccc1C(=O)NC[C@H](CO)NC(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001577689027 1075321250 /nfs/dbraw/zinc/32/12/50/1075321250.db2.gz OXYKLSJEJGBROM-CYBMUJFWSA-N 0 1 391.432 -1.215 20 0 GAADMN Cn1nccc1C(=O)NC[C@@H](CO)NC(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001577689028 1075321310 /nfs/dbraw/zinc/32/13/10/1075321310.db2.gz OXYKLSJEJGBROM-ZDUSSCGKSA-N 0 1 391.432 -1.215 20 0 GAADMN Cn1nccc1C(=O)NC[C@@H](CO)NC(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001577689028 1075321306 /nfs/dbraw/zinc/32/13/06/1075321306.db2.gz OXYKLSJEJGBROM-ZDUSSCGKSA-N 0 1 391.432 -1.215 20 0 GAADMN Cn1nccc1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577689108 1075321370 /nfs/dbraw/zinc/32/13/70/1075321370.db2.gz RDUXWAAPHBCHCQ-HNNXBMFYSA-N 0 1 390.448 -1.247 20 0 GAADMN Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)C3CCN(Cc4c[nH]nn4)CC3)C2)n1 ZINC001577689220 1075321271 /nfs/dbraw/zinc/32/12/71/1075321271.db2.gz VANUZLRCJNPDQZ-HZPDHXFCSA-N 0 1 389.464 -1.493 20 0 GAADMN Cn1ncc2c1nc(N1C[C@@H](NC(=O)CCCc3cnn[nH]3)[C@@H](O)C1)[nH]c2=O ZINC001577689279 1075321349 /nfs/dbraw/zinc/32/13/49/1075321349.db2.gz WXYUHOQJFSBAHD-NEPJUHHUSA-N 0 1 387.404 -1.124 20 0 GAADMN Cn1ncc2c1nc(N1C[C@@H](NC(=O)CCCc3c[nH]nn3)[C@@H](O)C1)[nH]c2=O ZINC001577689279 1075321345 /nfs/dbraw/zinc/32/13/45/1075321345.db2.gz WXYUHOQJFSBAHD-NEPJUHHUSA-N 0 1 387.404 -1.124 20 0 GAADMN Cn1ncc(CN2CCOC[C@H]2CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577689359 1075321235 /nfs/dbraw/zinc/32/12/35/1075321235.db2.gz ZYPRSTZIEKBAML-CVEARBPZSA-N 0 1 389.464 -1.085 20 0 GAADMN Cn1ncc(CN2CCOC[C@@H]2CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577689360 1075321298 /nfs/dbraw/zinc/32/12/98/1075321298.db2.gz ZYPRSTZIEKBAML-HOTGVXAUSA-N 0 1 389.464 -1.085 20 0 GAADMN Cn1nccc1CCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577690882 1075321257 /nfs/dbraw/zinc/32/12/57/1075321257.db2.gz AFVLVFWDPCGYKX-GFCCVEGCSA-N 0 1 388.432 -1.106 20 0 GAADMN Cn1nccc1CCC(=O)N[C@H]1CCN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577690883 1075321230 /nfs/dbraw/zinc/32/12/30/1075321230.db2.gz AFVLVFWDPCGYKX-LBPRGKRZSA-N 0 1 388.432 -1.106 20 0 GAADMN Cn1ncnc1CN1CC(O)(CNC(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577690946 1075321318 /nfs/dbraw/zinc/32/13/18/1075321318.db2.gz AYULUIXNDCUBCA-UHFFFAOYSA-N 0 1 389.464 -1.492 20 0 GAADMN Cn1ncnc1COCC(=O)N[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577691232 1075321313 /nfs/dbraw/zinc/32/13/13/1075321313.db2.gz HITYXCNBGXQYBI-LBPRGKRZSA-N 0 1 392.420 -1.226 20 0 GAADMN Cn1nccc1COCC(=O)NCCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577691399 1075321264 /nfs/dbraw/zinc/32/12/64/1075321264.db2.gz KCPLQYXMAWVCGQ-HNNXBMFYSA-N 0 1 390.448 -1.048 20 0 GAADMN Cn1ncnc1CN1CCC(N(Cc2c[nH]nn2)C(=O)CCNC(N)=O)CC1 ZINC001577691434 1075321284 /nfs/dbraw/zinc/32/12/84/1075321284.db2.gz LGSQLUQDQZVFHA-UHFFFAOYSA-N 0 1 390.452 -1.015 20 0 GAADMN Cn1nccc1CCC(=O)NC[C@H]1CN(CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577691449 1075321278 /nfs/dbraw/zinc/32/12/78/1075321278.db2.gz MAHRFYLFSCFTJL-HNNXBMFYSA-N 0 1 390.448 -1.396 20 0 GAADMN Cn1nccc1CCC(=O)NC[C@@H]1CN(CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577691450 1075321362 /nfs/dbraw/zinc/32/13/62/1075321362.db2.gz MAHRFYLFSCFTJL-OAHLLOKOSA-N 0 1 390.448 -1.396 20 0 GAADMN Cn1nccc1CCC(=O)N1C[C@@H](NC(=O)CCOCc2c[nH]nn2)[C@@H](O)C1 ZINC001577691569 1075321337 /nfs/dbraw/zinc/32/13/37/1075321337.db2.gz MZQOVHJZEZRFOZ-CABCVRRESA-N 0 1 391.432 -1.234 20 0 GAADMN Cn1nnc(C(=O)N(Cc2c[nH]nn2)C2CCN(CC(=O)NC(N)=O)CC2)n1 ZINC001577691590 1075321242 /nfs/dbraw/zinc/32/12/42/1075321242.db2.gz NPTJGFFOSFTIGE-UHFFFAOYSA-N 0 1 391.396 -2.370 20 0 GAADMN Cn1nccc1CCN1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)[C@@H](O)C1 ZINC001577691793 1075321673 /nfs/dbraw/zinc/32/16/73/1075321673.db2.gz UMEWDTRBMYUMED-IKGGRYGDSA-N 0 1 388.476 -1.093 20 0 GAADMN Cn1ncnc1CNC[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CCO1 ZINC001577691842 1075321703 /nfs/dbraw/zinc/32/17/03/1075321703.db2.gz VRWWWVYMWXHFNU-CABCVRRESA-N 0 1 389.464 -1.085 20 0 GAADMN Cn1ncnc1CNC[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CCO1 ZINC001577691843 1075321751 /nfs/dbraw/zinc/32/17/51/1075321751.db2.gz VRWWWVYMWXHFNU-GJZGRUSLSA-N 0 1 389.464 -1.085 20 0 GAADMN Cn1nccc1CCC(=O)N[C@@H]1CCN(CC(=O)NCc2c[nH]nn2)C[C@@H]1O ZINC001577691899 1075321719 /nfs/dbraw/zinc/32/17/19/1075321719.db2.gz XRDRXIRCWFVZKN-CABCVRRESA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1nccc1CCC(=O)N[C@H]1CCN(CC(=O)NCc2c[nH]nn2)C[C@@H]1O ZINC001577691900 1075321662 /nfs/dbraw/zinc/32/16/62/1075321662.db2.gz XRDRXIRCWFVZKN-GJZGRUSLSA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1nccc1CCC(=O)N[C@@H]1CCN(CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577691901 1075321699 /nfs/dbraw/zinc/32/16/99/1075321699.db2.gz XRDRXIRCWFVZKN-HUUCEWRRSA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1nccc1CCC(=O)N[C@H]1CCN(CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577691902 1075321694 /nfs/dbraw/zinc/32/16/94/1075321694.db2.gz XRDRXIRCWFVZKN-LSDHHAIUSA-N 0 1 390.448 -1.661 20 0 GAADMN Cn1nccc1COCC(=O)N[C@H]1CCCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577691903 1075321646 /nfs/dbraw/zinc/32/16/46/1075321646.db2.gz XRNVIPGNCVSQGH-ZDUSSCGKSA-N 0 1 390.448 -1.048 20 0 GAADMN Cn1nnc(C(=O)N(CCO)CCNC(=O)c2ccc(-c3cn[nH]n3)cn2)n1 ZINC001577691906 1075321774 /nfs/dbraw/zinc/32/17/74/1075321774.db2.gz XVCDSCGHRCXIKM-UHFFFAOYSA-N 0 1 386.376 -1.745 20 0 GAADMN Cn1nnc(CN2CC[C@](O)(CNC(=O)c3ccc(-c4c[nH]nn4)nc3)C2)n1 ZINC001577693507 1075321749 /nfs/dbraw/zinc/32/17/49/1075321749.db2.gz ADVKLNKOXLOCDV-INIZCTEOSA-N 0 1 384.404 -1.243 20 0 GAADMN Cn1nnc(CN2CC[C@@](O)(CNC(=O)c3ccc(-c4c[nH]nn4)nc3)C2)n1 ZINC001577693508 1075321767 /nfs/dbraw/zinc/32/17/67/1075321767.db2.gz ADVKLNKOXLOCDV-MRXNPFEDSA-N 0 1 384.404 -1.243 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577693562 1075321714 /nfs/dbraw/zinc/32/17/14/1075321714.db2.gz CGPXBFBBQXOBTM-YPMHNXCESA-N 0 1 388.436 -1.286 20 0 GAADMN Cn1nnc(C(=O)NCC[C@@H]2CN(CCc3c[nH]nn3)CCS2(=O)=O)n1 ZINC001577693580 1075321726 /nfs/dbraw/zinc/32/17/26/1075321726.db2.gz CWZFCCGACHGBMI-LLVKDONJSA-N 0 1 383.438 -2.210 20 0 GAADMN Cn1nnc(C(=O)NCC[C@H]2CN(CCc3c[nH]nn3)CCS2(=O)=O)n1 ZINC001577693581 1075321742 /nfs/dbraw/zinc/32/17/42/1075321742.db2.gz CWZFCCGACHGBMI-NSHDSACASA-N 0 1 383.438 -2.210 20 0 GAADMN Cn1nnc(CN2CCO[C@@H](CNC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577693609 1075321736 /nfs/dbraw/zinc/32/17/36/1075321736.db2.gz DKVLTKZQRIWUCT-KBPBESRZSA-N 0 1 390.452 -1.690 20 0 GAADMN Cn1nnc(CN2CCO[C@H](CNC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577693610 1075321686 /nfs/dbraw/zinc/32/16/86/1075321686.db2.gz DKVLTKZQRIWUCT-KGLIPLIRSA-N 0 1 390.452 -1.690 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]n4)cn3)C[C@@H]2O)n1 ZINC001577693625 1075322003 /nfs/dbraw/zinc/32/20/03/1075322003.db2.gz DQQNSFIAJSXQJB-NEPJUHHUSA-N 0 1 384.360 -1.995 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]n4)cn3)C[C@H]2O)n1 ZINC001577693626 1075322015 /nfs/dbraw/zinc/32/20/15/1075322015.db2.gz DQQNSFIAJSXQJB-VXGBXAGGSA-N 0 1 384.360 -1.995 20 0 GAADMN Cn1nnc(C(=O)N2C[C@@]3(C)CN(CC(=O)NCc4c[nH]nn4)C[C@@]3(C)C2)n1 ZINC001577693628 1075322037 /nfs/dbraw/zinc/32/20/37/1075322037.db2.gz DSZOYZWJQOXIPV-IYBDPMFKSA-N 0 1 388.436 -1.571 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)C3CCN(Cc4c[nH]nn4)CC3)C2)n1 ZINC001577693633 1075322126 /nfs/dbraw/zinc/32/21/26/1075322126.db2.gz DZTWYUHTHIIYAJ-TXEJJXNPSA-N 0 1 388.436 -1.383 20 0 GAADMN Cn1nnc(C(=O)NCCC2CCN(CC(=O)NCc3cn[nH]n3)CC2)n1 ZINC001577693637 1075322152 /nfs/dbraw/zinc/32/21/52/1075322152.db2.gz FCCHKCULXXBVSH-UHFFFAOYSA-N 0 1 376.425 -1.524 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@@]3(C2)CN(C(=O)CCCc2cnn[nH]2)CCO3)n1 ZINC001577693643 1075322073 /nfs/dbraw/zinc/32/20/73/1075322073.db2.gz FEJDZSLSGQAQGU-INIZCTEOSA-N 0 1 389.420 -1.205 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@@]3(C2)CN(C(=O)CCCc2c[nH]nn2)CCO3)n1 ZINC001577693643 1075322068 /nfs/dbraw/zinc/32/20/68/1075322068.db2.gz FEJDZSLSGQAQGU-INIZCTEOSA-N 0 1 389.420 -1.205 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@]3(C2)CN(C(=O)CCCc2cnn[nH]2)CCO3)n1 ZINC001577693644 1075322084 /nfs/dbraw/zinc/32/20/84/1075322084.db2.gz FEJDZSLSGQAQGU-MRXNPFEDSA-N 0 1 389.420 -1.205 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@]3(C2)CN(C(=O)CCCc2c[nH]nn2)CCO3)n1 ZINC001577693644 1075322082 /nfs/dbraw/zinc/32/20/82/1075322082.db2.gz FEJDZSLSGQAQGU-MRXNPFEDSA-N 0 1 389.420 -1.205 20 0 GAADMN Cn1nnc(C(=O)NCC2(O)CN(C(=O)c3ccc(-c4cn[nH]n4)cc3)C2)n1 ZINC001577693669 1075322182 /nfs/dbraw/zinc/32/21/82/1075322182.db2.gz FSRNMXPYWZOXKX-UHFFFAOYSA-N 0 1 383.372 -1.388 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577693678 1075321956 /nfs/dbraw/zinc/32/19/56/1075321956.db2.gz GDNSBFOMSYXPJQ-AAEUAGOBSA-N 0 1 388.436 -1.429 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577693679 1075322173 /nfs/dbraw/zinc/32/21/73/1075322173.db2.gz GDNSBFOMSYXPJQ-YPMHNXCESA-N 0 1 388.436 -1.429 20 0 GAADMN Cn1nnc2c1nccc2C(=O)N[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1O ZINC001577693717 1075322029 /nfs/dbraw/zinc/32/20/29/1075322029.db2.gz HOLSZZUMIQPKAO-CHWSQXEVSA-N 0 1 399.415 -1.194 20 0 GAADMN Cn1nnc2c1nccc2C(=O)N[C@@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@H]1O ZINC001577693717 1075322025 /nfs/dbraw/zinc/32/20/25/1075322025.db2.gz HOLSZZUMIQPKAO-CHWSQXEVSA-N 0 1 399.415 -1.194 20 0 GAADMN Cn1nnc(C(=O)NC2(CCO)CN(C(=O)C3(Cc4cnn[nH]4)CCC3)C2)n1 ZINC001577693740 1075322112 /nfs/dbraw/zinc/32/21/12/1075322112.db2.gz HZPMDYDMHHQJCC-UHFFFAOYSA-N 0 1 389.420 -1.566 20 0 GAADMN Cn1nnc(C(=O)NC2(CCO)CN(C(=O)C3(Cc4c[nH]nn4)CCC3)C2)n1 ZINC001577693740 1075322105 /nfs/dbraw/zinc/32/21/05/1075322105.db2.gz HZPMDYDMHHQJCC-UHFFFAOYSA-N 0 1 389.420 -1.566 20 0 GAADMN Cn1nnc2cc(C(=O)N[C@@H]3CN(C(=O)CCCc4cnn[nH]4)C[C@@H]3O)cnc21 ZINC001577693767 1075321973 /nfs/dbraw/zinc/32/19/73/1075321973.db2.gz IXXHSOLFVWCGKN-KGLIPLIRSA-N 0 1 399.415 -1.194 20 0 GAADMN Cn1nnc2cc(C(=O)N[C@@H]3CN(C(=O)CCCc4c[nH]nn4)C[C@@H]3O)cnc21 ZINC001577693767 1075321968 /nfs/dbraw/zinc/32/19/68/1075321968.db2.gz IXXHSOLFVWCGKN-KGLIPLIRSA-N 0 1 399.415 -1.194 20 0 GAADMN Cn1nnc(C(=O)NCC=CCNC(=O)C2CCN(Cc3c[nH]nn3)CC2)n1 ZINC001577693776 1075322056 /nfs/dbraw/zinc/32/20/56/1075322056.db2.gz JBPBQWBWGZXWBL-IHWYPQMZSA-N 0 1 388.436 -1.357 20 0 GAADMN Cn1nnc(C(=O)NCC=CCNC(=O)C2CCN(Cc3c[nH]nn3)CC2)n1 ZINC001577693777 1075322199 /nfs/dbraw/zinc/32/21/99/1075322199.db2.gz JBPBQWBWGZXWBL-NSCUHMNNSA-N 0 1 388.436 -1.357 20 0 GAADMN Cn1nnc(C(=O)NC2(C)CCN(C(=O)CC(=O)NCc3c[nH]nn3)CC2)n1 ZINC001577693785 1075322093 /nfs/dbraw/zinc/32/20/93/1075322093.db2.gz JKDPXQXMAAPQNK-UHFFFAOYSA-N 0 1 390.408 -1.854 20 0 GAADMN Cn1nnc(CN2CC[C@@H](NC(=O)c3ccc(-c4cn[nH]n4)cn3)[C@H](O)C2)n1 ZINC001577693798 1075322190 /nfs/dbraw/zinc/32/21/90/1075322190.db2.gz JUPJIDODNYJZSZ-BXUZGUMPSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(CN2CC[C@H](NC(=O)c3ccc(-c4cn[nH]n4)cn3)[C@@H](O)C2)n1 ZINC001577693799 1075321992 /nfs/dbraw/zinc/32/19/92/1075321992.db2.gz JUPJIDODNYJZSZ-FZMZJTMJSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(CN2CC[C@@H](NC(=O)c3ccc(-c4cn[nH]n4)cn3)[C@@H](O)C2)n1 ZINC001577693800 1075322136 /nfs/dbraw/zinc/32/21/36/1075322136.db2.gz JUPJIDODNYJZSZ-RISCZKNCSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(CN2CC[C@H](NC(=O)c3ccc(-c4cn[nH]n4)cn3)[C@H](O)C2)n1 ZINC001577693801 1075321984 /nfs/dbraw/zinc/32/19/84/1075321984.db2.gz JUPJIDODNYJZSZ-SMDDNHRTSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(CN2CCC(N(Cc3c[nH]nn3)C(=O)c3cnnn3C)CC2)n1 ZINC001577693835 1075322686 /nfs/dbraw/zinc/32/26/86/1075322686.db2.gz KOSZZRNDFMARGY-UHFFFAOYSA-N 0 1 386.424 -1.236 20 0 GAADMN Cn1nnc2c1C[C@H](C(=O)NCC1CN(CC(=O)NCc3c[nH]nn3)C1)CC2 ZINC001577693841 1075322562 /nfs/dbraw/zinc/32/25/62/1075322562.db2.gz KTFVIVLLWLRZLE-GFCCVEGCSA-N 0 1 387.448 -1.598 20 0 GAADMN Cn1nnc2c1C[C@@H](C(=O)NCC1CN(CC(=O)NCc3c[nH]nn3)C1)CC2 ZINC001577693842 1075322549 /nfs/dbraw/zinc/32/25/49/1075322549.db2.gz KTFVIVLLWLRZLE-LBPRGKRZSA-N 0 1 387.448 -1.598 20 0 GAADMN Cn1nnc(C(=O)NC2(CNC(=O)CCCc3cnn[nH]3)CCOCC2)n1 ZINC001577693857 1075322595 /nfs/dbraw/zinc/32/25/95/1075322595.db2.gz LDLAQGSHTZRYSQ-UHFFFAOYSA-N 0 1 377.409 -1.254 20 0 GAADMN Cn1nnc(C(=O)NC2(CNC(=O)CCCc3c[nH]nn3)CCOCC2)n1 ZINC001577693857 1075322588 /nfs/dbraw/zinc/32/25/88/1075322588.db2.gz LDLAQGSHTZRYSQ-UHFFFAOYSA-N 0 1 377.409 -1.254 20 0 GAADMN Cn1nnc(CN2CCC(N(Cc3c[nH]nn3)C(=O)Cc3nnc[nH]3)CC2)n1 ZINC001577693887 1075322659 /nfs/dbraw/zinc/32/26/59/1075322659.db2.gz MAJVPTZEZDVEEG-UHFFFAOYSA-N 0 1 386.424 -1.318 20 0 GAADMN Cn1nnc(C(=O)N2CCC[C@@H](n3cc(CNCCc4cn[nH]n4)nn3)C2)n1 ZINC001577693901 1075322670 /nfs/dbraw/zinc/32/26/70/1075322670.db2.gz MJRCAJBWUMLTAL-CYBMUJFWSA-N 0 1 386.424 -1.271 20 0 GAADMN Cn1nnc(C(=O)N2CCC[C@H](n3cc(CNCCc4cn[nH]n4)nn3)C2)n1 ZINC001577693902 1075322486 /nfs/dbraw/zinc/32/24/86/1075322486.db2.gz MJRCAJBWUMLTAL-ZDUSSCGKSA-N 0 1 386.424 -1.271 20 0 GAADMN Cn1nnc2c1ncnc2N[C@@H](CO)CNC(=O)CCOCc1c[nH]nn1 ZINC001577693903 1075322633 /nfs/dbraw/zinc/32/26/33/1075322633.db2.gz MLURJYCVFPPYDY-SECBINFHSA-N 0 1 376.381 -1.628 20 0 GAADMN Cn1nnc2c1ncnc2N[C@H](CO)CNC(=O)CCOCc1c[nH]nn1 ZINC001577693904 1075322518 /nfs/dbraw/zinc/32/25/18/1075322518.db2.gz MLURJYCVFPPYDY-VIFPVBQESA-N 0 1 376.381 -1.628 20 0 GAADMN Cn1nnc2c1C[C@H](C(=O)N[C@H]1CCN(CC(=O)NCc3c[nH]nn3)C1)CC2 ZINC001577693912 1075322606 /nfs/dbraw/zinc/32/26/06/1075322606.db2.gz MQORSLRQMFHEMI-NEPJUHHUSA-N 0 1 387.448 -1.455 20 0 GAADMN Cn1nnc2c1C[C@@H](C(=O)N[C@H]1CCN(CC(=O)NCc3c[nH]nn3)C1)CC2 ZINC001577693913 1075322652 /nfs/dbraw/zinc/32/26/52/1075322652.db2.gz MQORSLRQMFHEMI-RYUDHWBXSA-N 0 1 387.448 -1.455 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2COC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)n1 ZINC001577693923 1075322524 /nfs/dbraw/zinc/32/25/24/1075322524.db2.gz MWAGDSXHUWHKRU-SECBINFHSA-N 0 1 376.381 -2.782 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2COC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)n1 ZINC001577693924 1075322575 /nfs/dbraw/zinc/32/25/75/1075322575.db2.gz MWAGDSXHUWHKRU-VIFPVBQESA-N 0 1 376.381 -2.782 20 0 GAADMN Cn1nnc(C(=O)N2CCOC3(CN(CC(=O)NCc4c[nH]nn4)C3)C2)n1 ZINC001577693970 1075322537 /nfs/dbraw/zinc/32/25/37/1075322537.db2.gz OCVFYRHUKSQSDM-UHFFFAOYSA-N 0 1 376.381 -2.829 20 0 GAADMN Cn1nnc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577693981 1075322679 /nfs/dbraw/zinc/32/26/79/1075322679.db2.gz OLEKHKPFKRHLEN-OLZOCXBDSA-N 0 1 388.436 -1.286 20 0 GAADMN Cn1nnc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)n1 ZINC001577693982 1075322642 /nfs/dbraw/zinc/32/26/42/1075322642.db2.gz OLEKHKPFKRHLEN-STQMWFEESA-N 0 1 388.436 -1.286 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@]3(CCN(C(=O)CCOCc4c[nH]nn4)C3)C2)n1 ZINC001577693995 1075322943 /nfs/dbraw/zinc/32/29/43/1075322943.db2.gz PHNRTNMSZAEOGV-INIZCTEOSA-N 0 1 389.420 -1.000 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@@]3(CCN(C(=O)CCOCc4c[nH]nn4)C3)C2)n1 ZINC001577693996 1075322919 /nfs/dbraw/zinc/32/29/19/1075322919.db2.gz PHNRTNMSZAEOGV-MRXNPFEDSA-N 0 1 389.420 -1.000 20 0 GAADMN Cn1nnc(C(=O)N2CCOC3(CN(C(=O)CCCc4cnn[nH]4)C3)C2)n1 ZINC001577694059 1075323015 /nfs/dbraw/zinc/32/30/15/1075323015.db2.gz RQCQIOQCBHUZRK-UHFFFAOYSA-N 0 1 375.393 -1.596 20 0 GAADMN Cn1nnc(C(=O)N2CCOC3(CN(C(=O)CCCc4c[nH]nn4)C3)C2)n1 ZINC001577694059 1075323008 /nfs/dbraw/zinc/32/30/08/1075323008.db2.gz RQCQIOQCBHUZRK-UHFFFAOYSA-N 0 1 375.393 -1.596 20 0 GAADMN Cn1nnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577694061 1075322985 /nfs/dbraw/zinc/32/29/85/1075322985.db2.gz RTZRVDSTQZDPPY-GVXVVHGQSA-N 0 1 388.436 -1.383 20 0 GAADMN Cn1nnc2c1C[C@@H](C(=O)NC[C@@H]1CCN1CC(=O)NCc1c[nH]nn1)CC2 ZINC001577694068 1075322870 /nfs/dbraw/zinc/32/28/70/1075322870.db2.gz RWERATXYPDYKOW-AAEUAGOBSA-N 0 1 387.448 -1.455 20 0 GAADMN Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCN1CC(=O)NCc1c[nH]nn1)CC2 ZINC001577694069 1075322995 /nfs/dbraw/zinc/32/29/95/1075322995.db2.gz RWERATXYPDYKOW-DGCLKSJQSA-N 0 1 387.448 -1.455 20 0 GAADMN Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1CCN1CC(=O)NCc1c[nH]nn1)CC2 ZINC001577694070 1075322839 /nfs/dbraw/zinc/32/28/39/1075322839.db2.gz RWERATXYPDYKOW-WCQYABFASA-N 0 1 387.448 -1.455 20 0 GAADMN Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CCN1CC(=O)NCc1c[nH]nn1)CC2 ZINC001577694071 1075323027 /nfs/dbraw/zinc/32/30/27/1075323027.db2.gz RWERATXYPDYKOW-YPMHNXCESA-N 0 1 387.448 -1.455 20 0 GAADMN Cn1nnc(C(=O)NC[C@@H]2CN(C(=O)C3(Cc4cnn[nH]4)CCC3)CCO2)n1 ZINC001577694072 1075322885 /nfs/dbraw/zinc/32/28/85/1075322885.db2.gz RWHMAJSPGSXTJT-GFCCVEGCSA-N 0 1 389.420 -1.302 20 0 GAADMN Cn1nnc(C(=O)NC[C@@H]2CN(C(=O)C3(Cc4c[nH]nn4)CCC3)CCO2)n1 ZINC001577694072 1075322881 /nfs/dbraw/zinc/32/28/81/1075322881.db2.gz RWHMAJSPGSXTJT-GFCCVEGCSA-N 0 1 389.420 -1.302 20 0 GAADMN Cn1nnc(C(=O)NC[C@H]2CN(C(=O)C3(Cc4cnn[nH]4)CCC3)CCO2)n1 ZINC001577694073 1075323043 /nfs/dbraw/zinc/32/30/43/1075323043.db2.gz RWHMAJSPGSXTJT-LBPRGKRZSA-N 0 1 389.420 -1.302 20 0 GAADMN Cn1nnc(C(=O)NC[C@H]2CN(C(=O)C3(Cc4c[nH]nn4)CCC3)CCO2)n1 ZINC001577694073 1075323039 /nfs/dbraw/zinc/32/30/39/1075323039.db2.gz RWHMAJSPGSXTJT-LBPRGKRZSA-N 0 1 389.420 -1.302 20 0 GAADMN Cn1nnc(C(=O)N2CC(CCO)(NC(=O)CCCCCc3cn[nH]n3)C2)n1 ZINC001577694075 1075322952 /nfs/dbraw/zinc/32/29/52/1075322952.db2.gz RYMOSIKHQRWSEC-UHFFFAOYSA-N 0 1 391.436 -1.176 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@H](CNC(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577694086 1075322858 /nfs/dbraw/zinc/32/28/58/1075322858.db2.gz TVFDYHLHMPJPDC-SECBINFHSA-N 0 1 376.381 -2.387 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@@H](CNC(=O)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577694087 1075322932 /nfs/dbraw/zinc/32/29/32/1075322932.db2.gz TVFDYHLHMPJPDC-VIFPVBQESA-N 0 1 376.381 -2.387 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(=O)NCc2c[nH]nn2)n1 ZINC001577694088 1075322851 /nfs/dbraw/zinc/32/28/51/1075322851.db2.gz TVYZXRVMZOZYAV-VWYCJHECSA-N 0 1 388.392 -2.104 20 0 GAADMN Cn1nnc(C(=O)N2CCO[C@H](CNC(=O)CCCCc3cn[nH]n3)C2)n1 ZINC001577694123 1075322827 /nfs/dbraw/zinc/32/28/27/1075322827.db2.gz USFGUSXESZJLSM-GFCCVEGCSA-N 0 1 377.409 -1.302 20 0 GAADMN Cn1nnc(C(=O)N2CCO[C@@H](CNC(=O)CCCCc3cn[nH]n3)C2)n1 ZINC001577694124 1075322907 /nfs/dbraw/zinc/32/29/07/1075322907.db2.gz USFGUSXESZJLSM-LBPRGKRZSA-N 0 1 377.409 -1.302 20 0 GAADMN Cn1nnc(C(=O)N2CC3(C2)CN(C(=O)CCCc2cnn[nH]2)CCO3)n1 ZINC001577694134 1075323068 /nfs/dbraw/zinc/32/30/68/1075323068.db2.gz UXZZVKMUVLMSPC-UHFFFAOYSA-N 0 1 375.393 -1.596 20 0 GAADMN Cn1nnc(C(=O)N2CC3(C2)CN(C(=O)CCCc2c[nH]nn2)CCO3)n1 ZINC001577694134 1075323063 /nfs/dbraw/zinc/32/30/63/1075323063.db2.gz UXZZVKMUVLMSPC-UHFFFAOYSA-N 0 1 375.393 -1.596 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3-c3cn[nH]n3)C[C@@H]2O)n1 ZINC001577694151 1075322896 /nfs/dbraw/zinc/32/28/96/1075322896.db2.gz VEZPHYHVNVTDJD-KGLIPLIRSA-N 0 1 397.399 -1.461 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3-c3cn[nH]n3)C[C@H]2O)n1 ZINC001577694152 1075323480 /nfs/dbraw/zinc/32/34/80/1075323480.db2.gz VEZPHYHVNVTDJD-ZIAGYGMSSA-N 0 1 397.399 -1.461 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577694159 1075323421 /nfs/dbraw/zinc/32/34/21/1075323421.db2.gz VKBCHYLHCUNLFQ-GVXVVHGQSA-N 0 1 388.436 -1.383 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577694160 1075323312 /nfs/dbraw/zinc/32/33/12/1075323312.db2.gz VKBCHYLHCUNLFQ-LOWVWBTDSA-N 0 1 388.436 -1.383 20 0 GAADMN Cn1nnc(C(=O)NC[C@H]2CC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577694181 1075323322 /nfs/dbraw/zinc/32/33/22/1075323322.db2.gz WETVCWKJQWGVKW-WDEREUQCSA-N 0 1 377.409 -1.050 20 0 GAADMN Cn1nnc(CN2CCC(N(Cc3c[nH]nn3)C(=O)[C@H]3CCC(=O)N3)CC2)n1 ZINC001577694223 1075323408 /nfs/dbraw/zinc/32/34/08/1075323408.db2.gz XYRBBZJEXLNSRO-CYBMUJFWSA-N 0 1 388.436 -1.400 20 0 GAADMN CCCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577694316 1075323397 /nfs/dbraw/zinc/32/33/97/1075323397.db2.gz BCRYTMCRTVWTMQ-AOOOYVTPSA-N 0 1 380.434 -1.038 20 0 GAADMN CCCS(=O)(=O)CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001577694364 1075323527 /nfs/dbraw/zinc/32/35/27/1075323527.db2.gz DOHNFAFKJSCQPS-JTQLQIEISA-N 0 1 383.434 -1.603 20 0 GAADMN CCCS(=O)(=O)CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001577694365 1075323347 /nfs/dbraw/zinc/32/33/47/1075323347.db2.gz DOHNFAFKJSCQPS-SNVBAGLBSA-N 0 1 383.434 -1.603 20 0 GAADMN CCCS(=O)(=O)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001577694510 1075323374 /nfs/dbraw/zinc/32/33/74/1075323374.db2.gz JEPHBJGMGIVYMW-UHFFFAOYSA-N 0 1 380.434 -1.036 20 0 GAADMN CCCS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577694511 1075323301 /nfs/dbraw/zinc/32/33/01/1075323301.db2.gz JIGRAQYDVPQALS-JTQLQIEISA-N 0 1 380.434 -1.084 20 0 GAADMN CCCS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001577694512 1075323498 /nfs/dbraw/zinc/32/34/98/1075323498.db2.gz JIGRAQYDVPQALS-SNVBAGLBSA-N 0 1 380.434 -1.084 20 0 GAADMN Cn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577695904 1075323887 /nfs/dbraw/zinc/32/38/87/1075323887.db2.gz ABTWPTLVLGVZNH-TZMCWYRMSA-N 0 1 383.372 -1.390 20 0 GAADMN Cn1nncc1S(=O)(=O)N1CCN(S(=O)(=O)NCc2c[nH]nn2)CC1 ZINC001577695915 1075323834 /nfs/dbraw/zinc/32/38/34/1075323834.db2.gz ARGARUJKNSXJKZ-UHFFFAOYSA-N 0 1 391.439 -2.726 20 0 GAADMN Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577695933 1075323772 /nfs/dbraw/zinc/32/37/72/1075323772.db2.gz AXZJVFMNSDUXDS-FOLVSLTJSA-N 0 1 386.464 -1.213 20 0 GAADMN Cn1nncc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]n3)cn2)C[C@@H]1O ZINC001577695958 1075323735 /nfs/dbraw/zinc/32/37/35/1075323735.db2.gz BPNNUFMUILUAKP-OCCSQVGLSA-N 0 1 383.372 -1.390 20 0 GAADMN Cn1nncc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]n3)cn2)C[C@H]1O ZINC001577695959 1075323823 /nfs/dbraw/zinc/32/38/23/1075323823.db2.gz BPNNUFMUILUAKP-TZMCWYRMSA-N 0 1 383.372 -1.390 20 0 GAADMN Cn1nnnc1CN1CCN(CCNC(=O)CCOCc2c[nH]nn2)CC1 ZINC001577695992 1075323878 /nfs/dbraw/zinc/32/38/78/1075323878.db2.gz CUZCWHNSAZSQMM-UHFFFAOYSA-N 0 1 378.441 -1.831 20 0 GAADMN Cn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577696028 1075324370 /nfs/dbraw/zinc/32/43/70/1075324370.db2.gz FFEIRBPIFGKZMI-NEPJUHHUSA-N 0 1 377.409 -2.195 20 0 GAADMN Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577696029 1075324378 /nfs/dbraw/zinc/32/43/78/1075324378.db2.gz FFEIRBPIFGKZMI-RYUDHWBXSA-N 0 1 377.409 -2.195 20 0 GAADMN Cn1nnnc1CN1CC2(C1)CN(C(=O)CCOCc1c[nH]nn1)CCO2 ZINC001577696049 1075324146 /nfs/dbraw/zinc/32/41/46/1075324146.db2.gz FXPAGWUFSBBBFY-UHFFFAOYSA-N 0 1 377.409 -1.652 20 0 GAADMN Cn1nnnc1CN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2COCCO2)CC1 ZINC001577696065 1075324243 /nfs/dbraw/zinc/32/42/43/1075324243.db2.gz GLTKJVQGVBXRBW-AWEZNQCLSA-N 0 1 391.436 -1.263 20 0 GAADMN Cn1nnnc1CN1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2COCCO2)CC1 ZINC001577696066 1075324388 /nfs/dbraw/zinc/32/43/88/1075324388.db2.gz GLTKJVQGVBXRBW-CQSZACIVSA-N 0 1 391.436 -1.263 20 0 GAADMN Cn1nnnc1CN1CC(CCO)(NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001577696103 1075324413 /nfs/dbraw/zinc/32/44/13/1075324413.db2.gz HMLGCVMNFQYILN-UHFFFAOYSA-N 0 1 384.404 -1.243 20 0 GAADMN Cn1nncc1C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577696132 1075324312 /nfs/dbraw/zinc/32/43/12/1075324312.db2.gz IJYITNIUXHKRGJ-MWLCHTKSSA-N 0 1 377.365 -3.059 20 0 GAADMN Cn1nncc1C(=O)N1CCC(CNC(=O)CC(=O)NCc2c[nH]nn2)CC1 ZINC001577696219 1075324361 /nfs/dbraw/zinc/32/43/61/1075324361.db2.gz LCDVXOIVLWMCBA-UHFFFAOYSA-N 0 1 389.420 -1.392 20 0 GAADMN Cn1nncc1C(=O)NC[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)CCO1 ZINC001577696246 1075324169 /nfs/dbraw/zinc/32/41/69/1075324169.db2.gz MKTWJVBVAXMGNO-GFCCVEGCSA-N 0 1 378.393 -1.503 20 0 GAADMN Cn1nncc1C(=O)NC[C@H]1CN(C(=O)CCOCc2c[nH]nn2)CCO1 ZINC001577696247 1075324407 /nfs/dbraw/zinc/32/44/07/1075324407.db2.gz MKTWJVBVAXMGNO-LBPRGKRZSA-N 0 1 378.393 -1.503 20 0 GAADMN Cn1nnnc1CNC1(CNC(=O)CCOCc2c[nH]nn2)CCOCC1 ZINC001577696277 1075324267 /nfs/dbraw/zinc/32/42/67/1075324267.db2.gz NMYFREYHLGMRBV-UHFFFAOYSA-N 0 1 379.425 -1.310 20 0 GAADMN Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577696285 1075324227 /nfs/dbraw/zinc/32/42/27/1075324227.db2.gz NUOYYDQMDAYMRM-FRRDWIJNSA-N 0 1 376.425 -2.346 20 0 GAADMN Cn1nnnc1CNC[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)CCCO1 ZINC001577696294 1075324115 /nfs/dbraw/zinc/32/41/15/1075324115.db2.gz OBXHDHLEGUPHLH-CYBMUJFWSA-N 0 1 379.425 -1.358 20 0 GAADMN Cn1nnnc1CNC[C@H]1CN(C(=O)CCOCc2c[nH]nn2)CCCO1 ZINC001577696295 1075324342 /nfs/dbraw/zinc/32/43/42/1075324342.db2.gz OBXHDHLEGUPHLH-ZDUSSCGKSA-N 0 1 379.425 -1.358 20 0 GAADMN Cn1nnnc1CN1C[C@@H](NC(=O)Cc2ccccc2-c2cn[nH]n2)[C@@H](O)C1 ZINC001577696310 1075324397 /nfs/dbraw/zinc/32/43/97/1075324397.db2.gz OGMZCPIOAFXXLF-CABCVRRESA-N 0 1 383.416 -1.101 20 0 GAADMN Cn1nncc1C(=O)N1CCC[C@H](N2CCN(CCc3c[nH]nn3)CC2=O)C1 ZINC001577696375 1075324331 /nfs/dbraw/zinc/32/43/31/1075324331.db2.gz QTLDKOWEVUQHCN-AWEZNQCLSA-N 0 1 387.448 -1.075 20 0 GAADMN Cn1nncc1C(=O)N1CCC[C@@H](N2CCN(CCc3c[nH]nn3)CC2=O)C1 ZINC001577696376 1075324298 /nfs/dbraw/zinc/32/42/98/1075324298.db2.gz QTLDKOWEVUQHCN-CQSZACIVSA-N 0 1 387.448 -1.075 20 0 GAADMN Cn1nncc1C(=O)NC[C@H]1CCCCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577696408 1075324194 /nfs/dbraw/zinc/32/41/94/1075324194.db2.gz RLMIIOUYECHSOS-GFCCVEGCSA-N 0 1 389.420 -1.249 20 0 GAADMN Cn1nncc1C(=O)NC[C@@H]1CCCCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577696409 1075324754 /nfs/dbraw/zinc/32/47/54/1075324754.db2.gz RLMIIOUYECHSOS-LBPRGKRZSA-N 0 1 389.420 -1.249 20 0 GAADMN Cn1nncc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577696429 1075324585 /nfs/dbraw/zinc/32/45/85/1075324585.db2.gz SHPLDOKPKOQKKI-CNDDSTCGSA-N 0 1 387.404 -1.926 20 0 GAADMN Cn1oc(C(=O)N2CC(CNC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)cc1=O ZINC001577696477 1075324622 /nfs/dbraw/zinc/32/46/22/1075324622.db2.gz UJMPNXWURNJNIY-ZDUSSCGKSA-N 0 1 389.416 -1.051 20 0 GAADMN Cn1nnnc1CN1CC(CCO)(NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577696484 1075324544 /nfs/dbraw/zinc/32/45/44/1075324544.db2.gz UOXYFIVOEXFEHZ-UHFFFAOYSA-N 0 1 384.404 -1.243 20 0 GAADMN Cn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577696610 1075324676 /nfs/dbraw/zinc/32/46/76/1075324676.db2.gz ZBQKNLUARSAZDK-HNNXBMFYSA-N 0 1 378.393 -1.767 20 0 GAADMN Cn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577696611 1075324573 /nfs/dbraw/zinc/32/45/73/1075324573.db2.gz ZBQKNLUARSAZDK-OAHLLOKOSA-N 0 1 378.393 -1.767 20 0 GAADMN Cn1nncc1CNC(=O)N1CCN(S(=O)(=O)NCc2c[nH]nn2)CC1 ZINC001577696642 1075324556 /nfs/dbraw/zinc/32/45/56/1075324556.db2.gz ZYXDUPQUHNXVHS-UHFFFAOYSA-N 0 1 384.426 -2.205 20 0 GAADMN NC(=O)C(=O)N1CC[C@H](NC(=O)c2ccc(OCc3c[nH]nn3)cc2)[C@@H](O)C1 ZINC001577721173 1075325059 /nfs/dbraw/zinc/32/50/59/1075325059.db2.gz AASOLYJXEKENNI-KBPBESRZSA-N 0 1 388.384 -1.439 20 0 GAADMN NC(=O)C(=O)N1CC[C@@H](NC(=O)c2ccc(OCc3c[nH]nn3)cc2)[C@@H](O)C1 ZINC001577721174 1075325087 /nfs/dbraw/zinc/32/50/87/1075325087.db2.gz AASOLYJXEKENNI-KGLIPLIRSA-N 0 1 388.384 -1.439 20 0 GAADMN NC(=O)C(=O)N1CC[C@H](NC(=O)c2ccc(OCc3c[nH]nn3)cc2)[C@H](O)C1 ZINC001577721175 1075325052 /nfs/dbraw/zinc/32/50/52/1075325052.db2.gz AASOLYJXEKENNI-UONOGXRCSA-N 0 1 388.384 -1.439 20 0 GAADMN NC(=O)C(=O)N1CC[C@@H](NC(=O)c2ccc(OCc3c[nH]nn3)cc2)[C@H](O)C1 ZINC001577721176 1075325139 /nfs/dbraw/zinc/32/51/39/1075325139.db2.gz AASOLYJXEKENNI-ZIAGYGMSSA-N 0 1 388.384 -1.439 20 0 GAADMN NC(=O)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001577721180 1075325055 /nfs/dbraw/zinc/32/50/55/1075325055.db2.gz AFEVDECYUAELIW-NWDGAFQWSA-N 0 1 393.404 -2.358 20 0 GAADMN NC(=O)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)CC1 ZINC001577721189 1075325380 /nfs/dbraw/zinc/32/53/80/1075325380.db2.gz AJTMSVWRAYVAIZ-ZDUSSCGKSA-N 0 1 375.433 -1.295 20 0 GAADMN NC(=O)C(=O)N1CCC(N(CCO)C(=O)c2ccc(-c3cn[nH]n3)cn2)CC1 ZINC001577721192 1075325534 /nfs/dbraw/zinc/32/55/34/1075325534.db2.gz AQSOJWIQZIIPFW-UHFFFAOYSA-N 0 1 387.400 -1.223 20 0 GAADMN NC(=O)C(=O)NC[C@@]1(O)CCN(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC001577721196 1075325401 /nfs/dbraw/zinc/32/54/01/1075325401.db2.gz AVABMCBUTJHZME-KRWDZBQOSA-N 0 1 387.400 -1.552 20 0 GAADMN NC(=O)C(=O)NC[C@]1(O)CCN(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC001577721197 1075325491 /nfs/dbraw/zinc/32/54/91/1075325491.db2.gz AVABMCBUTJHZME-QGZVFWFLSA-N 0 1 387.400 -1.552 20 0 GAADMN NC(=O)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001577721276 1075325420 /nfs/dbraw/zinc/32/54/20/1075325420.db2.gz DSUHFPKADKTZTG-LBPRGKRZSA-N 0 1 379.421 -2.276 20 0 GAADMN NC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4c[nH]nn4)nc3)C2)C1 ZINC001577721285 1075325561 /nfs/dbraw/zinc/32/55/61/1075325561.db2.gz DXLJNOZTZKHCRC-KRWDZBQOSA-N 0 1 385.384 -1.205 20 0 GAADMN NC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4c[nH]nn4)nc3)C2)C1 ZINC001577721286 1075325388 /nfs/dbraw/zinc/32/53/88/1075325388.db2.gz DXLJNOZTZKHCRC-QGZVFWFLSA-N 0 1 385.384 -1.205 20 0 GAADMN NC(=O)C(=O)NCCN1CCC(NC(=O)c2ccc(-c3c[nH]nn3)nc2)CC1 ZINC001577721318 1075325438 /nfs/dbraw/zinc/32/54/38/1075325438.db2.gz GDIXMMGWWJCGGG-UHFFFAOYSA-N 0 1 386.416 -1.338 20 0 GAADMN NC(=O)C(=O)NCCN1CCN(C(=O)Cc2ccccc2-c2cn[nH]n2)CC1 ZINC001577721366 1075325459 /nfs/dbraw/zinc/32/54/59/1075325459.db2.gz HPELAIJZIKGZGN-UHFFFAOYSA-N 0 1 385.428 -1.240 20 0 GAADMN NC(=O)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CCCO1 ZINC001577721423 1075325571 /nfs/dbraw/zinc/32/55/71/1075325571.db2.gz JKNZBULMYUSMGM-OLZOCXBDSA-N 0 1 379.421 -2.012 20 0 GAADMN NC(=O)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CCCO1 ZINC001577721424 1075325545 /nfs/dbraw/zinc/32/55/45/1075325545.db2.gz JKNZBULMYUSMGM-STQMWFEESA-N 0 1 379.421 -2.012 20 0 GAADMN NC(=O)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)CN2CCCCC2=O)CC1 ZINC001577721432 1075325430 /nfs/dbraw/zinc/32/54/30/1075325430.db2.gz JQFVJJHCRZLFDA-UHFFFAOYSA-N 0 1 391.432 -1.378 20 0 GAADMN NC(=O)C(=O)N1CCCC2(CN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)C1 ZINC001577721448 1075325553 /nfs/dbraw/zinc/32/55/53/1075325553.db2.gz JYEGGJZAHXTGQL-ZDUSSCGKSA-N 0 1 375.433 -1.295 20 0 GAADMN NC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)C1 ZINC001577721449 1075325480 /nfs/dbraw/zinc/32/54/80/1075325480.db2.gz JYGSYMXDAGZCCU-GUYCJALGSA-N 0 1 391.432 -1.916 20 0 GAADMN NC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)C1 ZINC001577721450 1075325518 /nfs/dbraw/zinc/32/55/18/1075325518.db2.gz JYGSYMXDAGZCCU-SUMWQHHRSA-N 0 1 391.432 -1.916 20 0 GAADMN NC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C[C@H]1O ZINC001577721514 1075325469 /nfs/dbraw/zinc/32/54/69/1075325469.db2.gz MNXITHWGSUXMTL-CHWSQXEVSA-N 0 1 379.421 -2.420 20 0 GAADMN NC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C[C@@H]1O ZINC001577721515 1075325511 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NC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577721565 1075325894 /nfs/dbraw/zinc/32/58/94/1075325894.db2.gz NQLJTCNJJZIZFX-STQMWFEESA-N 0 1 391.432 -1.332 20 0 GAADMN NC(=O)C(=O)N(Cc1c[nH]nn1)C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001577721580 1075325885 /nfs/dbraw/zinc/32/58/85/1075325885.db2.gz OIQXRSPLXJAEDM-GFCCVEGCSA-N 0 1 377.405 -1.722 20 0 GAADMN NC(=O)C(=O)N1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3cn[nH]n3)cn1)O2 ZINC001577721592 1075325812 /nfs/dbraw/zinc/32/58/12/1075325812.db2.gz OOIAQSOOTXGETN-LLVKDONJSA-N 0 1 385.384 -1.158 20 0 GAADMN NC(=O)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3cn[nH]n3)cn1)O2 ZINC001577721593 1075325863 /nfs/dbraw/zinc/32/58/63/1075325863.db2.gz OOIAQSOOTXGETN-NSHDSACASA-N 0 1 385.384 -1.158 20 0 GAADMN NC(=O)C(=O)N1CC[C@@H](NC(=O)C2(Cc3cnn[nH]3)CCCCC2)[C@H](O)C1 ZINC001577721625 1075325860 /nfs/dbraw/zinc/32/58/60/1075325860.db2.gz PFCFGGQOCZCXMM-CHWSQXEVSA-N 0 1 378.433 -1.139 20 0 GAADMN 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NC(=O)CN1CC(n2cc(CNC(=O)c3cncc(-c4cn[nH]n4)c3)nn2)C1 ZINC001577727641 1075329025 /nfs/dbraw/zinc/32/90/25/1075329025.db2.gz NNCGNNNDWDPRCY-UHFFFAOYSA-N 0 1 382.388 -1.270 20 0 GAADMN NC(=O)CN1CC(N2C[C@H](NC(=O)CCCCCc3cn[nH]n3)CC2=O)C1 ZINC001577727888 1075328997 /nfs/dbraw/zinc/32/89/97/1075328997.db2.gz POVGGYAQZCYLGG-CYBMUJFWSA-N 0 1 377.449 -1.206 20 0 GAADMN NC(=O)CN1CC(N2C[C@@H](NC(=O)CCCCCc3cn[nH]n3)CC2=O)C1 ZINC001577727890 1075328970 /nfs/dbraw/zinc/32/89/70/1075328970.db2.gz POVGGYAQZCYLGG-ZDUSSCGKSA-N 0 1 377.449 -1.206 20 0 GAADMN NC(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)CN2C(=O)CNC2=O)CC1 ZINC001577727934 1075328909 /nfs/dbraw/zinc/32/89/09/1075328909.db2.gz QZXWASITLBOVLE-UHFFFAOYSA-N 0 1 378.393 -2.365 20 0 GAADMN NC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)CCCO1 ZINC001577728319 1075328940 /nfs/dbraw/zinc/32/89/40/1075328940.db2.gz WANMPANIILZQHC-LLVKDONJSA-N 0 1 381.393 -2.580 20 0 GAADMN NC(=O)CC(=O)NC[C@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)CCCO1 ZINC001577728320 1075328954 /nfs/dbraw/zinc/32/89/54/1075328954.db2.gz WANMPANIILZQHC-NSHDSACASA-N 0 1 381.393 -2.580 20 0 GAADMN NC(=O)CCCC(=O)N1CCC[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577728343 1075328920 /nfs/dbraw/zinc/32/89/20/1075328920.db2.gz XHAHOBKFBDUYJP-GXTWGEPZSA-N 0 1 377.449 -1.001 20 0 GAADMN NC(=O)CN1CCN(C(=O)CCCCCc2cn[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001577728350 1075328988 /nfs/dbraw/zinc/32/89/88/1075328988.db2.gz XPXMRNHXHDBFDU-UONOGXRCSA-N 0 1 398.489 -1.297 20 0 GAADMN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N[C@H](CO)Cc1cnn[nH]1 ZINC001577728369 1075328948 /nfs/dbraw/zinc/32/89/48/1075328948.db2.gz XXLITWZWQGVLKA-GWCFXTLKSA-N 0 1 378.364 -1.363 20 0 GAADMN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N[C@H](CO)Cc1c[nH]nn1 ZINC001577728369 1075328946 /nfs/dbraw/zinc/32/89/46/1075328946.db2.gz XXLITWZWQGVLKA-GWCFXTLKSA-N 0 1 378.364 -1.363 20 0 GAADMN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@H](CO)Cc1cnn[nH]1 ZINC001577728370 1075329070 /nfs/dbraw/zinc/32/90/70/1075329070.db2.gz XXLITWZWQGVLKA-GXFFZTMASA-N 0 1 378.364 -1.363 20 0 GAADMN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@H](CO)Cc1c[nH]nn1 ZINC001577728370 1075329063 /nfs/dbraw/zinc/32/90/63/1075329063.db2.gz XXLITWZWQGVLKA-GXFFZTMASA-N 0 1 378.364 -1.363 20 0 GAADMN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N[C@@H](CO)Cc1cnn[nH]1 ZINC001577728371 1075328979 /nfs/dbraw/zinc/32/89/79/1075328979.db2.gz XXLITWZWQGVLKA-MFKMUULPSA-N 0 1 378.364 -1.363 20 0 GAADMN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N[C@@H](CO)Cc1c[nH]nn1 ZINC001577728371 1075328976 /nfs/dbraw/zinc/32/89/76/1075328976.db2.gz XXLITWZWQGVLKA-MFKMUULPSA-N 0 1 378.364 -1.363 20 0 GAADMN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@@H](CO)Cc1cnn[nH]1 ZINC001577728372 1075328963 /nfs/dbraw/zinc/32/89/63/1075328963.db2.gz XXLITWZWQGVLKA-ZWNOBZJWSA-N 0 1 378.364 -1.363 20 0 GAADMN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@@H](CO)Cc1c[nH]nn1 ZINC001577728372 1075328961 /nfs/dbraw/zinc/32/89/61/1075328961.db2.gz XXLITWZWQGVLKA-ZWNOBZJWSA-N 0 1 378.364 -1.363 20 0 GAADMN NC(=O)NC1(C(=O)NCC2(NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)CC2)CC1 ZINC001577730040 1075329099 /nfs/dbraw/zinc/32/90/99/1075329099.db2.gz APPPJMSLJOYZKH-LBPRGKRZSA-N 0 1 390.448 -1.265 20 0 GAADMN NC(=O)NC1(C(=O)NC[C@H](O)CNC(=O)C2(Cc3cnn[nH]3)CCC2)CC1 ZINC001577730051 1075329017 /nfs/dbraw/zinc/32/90/17/1075329017.db2.gz AWMZURGBJQVCPZ-LLVKDONJSA-N 0 1 379.421 -1.688 20 0 GAADMN NC(=O)NC1(C(=O)NC[C@H](O)CNC(=O)C2(Cc3c[nH]nn3)CCC2)CC1 ZINC001577730051 1075329012 /nfs/dbraw/zinc/32/90/12/1075329012.db2.gz AWMZURGBJQVCPZ-LLVKDONJSA-N 0 1 379.421 -1.688 20 0 GAADMN NC(=O)NC1(C(=O)NC[C@@H](O)CNC(=O)C2(Cc3cnn[nH]3)CCC2)CC1 ZINC001577730052 1075329624 /nfs/dbraw/zinc/32/96/24/1075329624.db2.gz AWMZURGBJQVCPZ-NSHDSACASA-N 0 1 379.421 -1.688 20 0 GAADMN NC(=O)NC1(C(=O)NC[C@@H](O)CNC(=O)C2(Cc3c[nH]nn3)CCC2)CC1 ZINC001577730052 1075329619 /nfs/dbraw/zinc/32/96/19/1075329619.db2.gz AWMZURGBJQVCPZ-NSHDSACASA-N 0 1 379.421 -1.688 20 0 GAADMN NC(=O)NC1(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)CC1 ZINC001577730085 1075329473 /nfs/dbraw/zinc/32/94/73/1075329473.db2.gz BAHHKWRJNXTYOJ-YPMHNXCESA-N 0 1 390.448 -1.313 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@H]2COC3(CN(CCc4cn[nH]n4)C3)C2)nn1 ZINC001577730094 1075329450 /nfs/dbraw/zinc/32/94/50/1075329450.db2.gz BBZHDFJYELYGGG-LLVKDONJSA-N 0 1 375.393 -2.303 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@@H]2COC3(CN(CCc4cn[nH]n4)C3)C2)nn1 ZINC001577730096 1075329393 /nfs/dbraw/zinc/32/93/93/1075329393.db2.gz BBZHDFJYELYGGG-NSHDSACASA-N 0 1 375.393 -2.303 20 0 GAADMN NC(=O)NC(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)Cn2cccn2)CC1 ZINC001577730145 1075329500 /nfs/dbraw/zinc/32/95/00/1075329500.db2.gz BQIGMBZRVFJRNL-UHFFFAOYSA-N 0 1 389.420 -1.311 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@@H]2CCN(C(=O)CCCCc3cn[nH]n3)C2)nn1 ZINC001577730244 1075329374 /nfs/dbraw/zinc/32/93/74/1075329374.db2.gz CUJPPJXGYZEXIX-GFCCVEGCSA-N 0 1 389.420 -1.375 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@H]2CCN(C(=O)CCCCc3cn[nH]n3)C2)nn1 ZINC001577730245 1075329535 /nfs/dbraw/zinc/32/95/35/1075329535.db2.gz CUJPPJXGYZEXIX-LBPRGKRZSA-N 0 1 389.420 -1.375 20 0 GAADMN NC(=O)Cn1cc(C(=O)NC2(CNC(=O)CCCc3cnn[nH]3)CC2)nn1 ZINC001577730249 1075329363 /nfs/dbraw/zinc/32/93/63/1075329363.db2.gz DCZJETTYZBOJSS-UHFFFAOYSA-N 0 1 375.393 -1.717 20 0 GAADMN NC(=O)Cn1cc(C(=O)NC2(CNC(=O)CCCc3c[nH]nn3)CC2)nn1 ZINC001577730249 1075329359 /nfs/dbraw/zinc/32/93/59/1075329359.db2.gz DCZJETTYZBOJSS-UHFFFAOYSA-N 0 1 375.393 -1.717 20 0 GAADMN NC(=O)Cn1cc(C(=O)N2CCC3(CC2)CN(Cc2c[nH]nn2)CCO3)nn1 ZINC001577730288 1075329965 /nfs/dbraw/zinc/32/99/65/1075329965.db2.gz FLNFMOHEKKCFDR-UHFFFAOYSA-N 0 1 389.420 -1.611 20 0 GAADMN NC(=O)CNCc1cn(C2CN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)nn1 ZINC001577730290 1075330046 /nfs/dbraw/zinc/33/00/46/1075330046.db2.gz FQGDCEPOBXTLJD-AWEZNQCLSA-N 0 1 388.436 -1.981 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCOCc2c[nH]nn2)[C@@H](O)C1 ZINC001577730291 1075329952 /nfs/dbraw/zinc/32/99/52/1075329952.db2.gz FRDQLHUNDBHRJI-AGIUHOORSA-N 0 1 395.420 -2.058 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@@H](NC(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577730311 1075329989 /nfs/dbraw/zinc/32/99/89/1075329989.db2.gz GCSGMKJMOYVMHB-GFCCVEGCSA-N 0 1 378.437 -1.598 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@H](NC(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577730312 1075329854 /nfs/dbraw/zinc/32/98/54/1075329854.db2.gz GCSGMKJMOYVMHB-LBPRGKRZSA-N 0 1 378.437 -1.598 20 0 GAADMN NC(=O)NC1(C(=O)N2CC[C@](O)(CNC(=O)CCCc3cnn[nH]3)C2)CC1 ZINC001577730343 1075329907 /nfs/dbraw/zinc/32/99/07/1075329907.db2.gz GYRVUTDSPDBRIU-HNNXBMFYSA-N 0 1 379.421 -1.592 20 0 GAADMN NC(=O)NC1(C(=O)N2CC[C@](O)(CNC(=O)CCCc3c[nH]nn3)C2)CC1 ZINC001577730343 1075329901 /nfs/dbraw/zinc/32/99/01/1075329901.db2.gz GYRVUTDSPDBRIU-HNNXBMFYSA-N 0 1 379.421 -1.592 20 0 GAADMN NC(=O)NC1(C(=O)N2CC[C@@](O)(CNC(=O)CCCc3cnn[nH]3)C2)CC1 ZINC001577730344 1075329920 /nfs/dbraw/zinc/32/99/20/1075329920.db2.gz GYRVUTDSPDBRIU-OAHLLOKOSA-N 0 1 379.421 -1.592 20 0 GAADMN NC(=O)NC1(C(=O)N2CC[C@@](O)(CNC(=O)CCCc3c[nH]nn3)C2)CC1 ZINC001577730344 1075329917 /nfs/dbraw/zinc/32/99/17/1075329917.db2.gz GYRVUTDSPDBRIU-OAHLLOKOSA-N 0 1 379.421 -1.592 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1O ZINC001577730392 1075330000 /nfs/dbraw/zinc/33/00/00/1075330000.db2.gz IILLARPXUKRATO-HZSPNIEDSA-N 0 1 393.448 -1.252 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)CCCc3cnn[nH]3)C2)nn1 ZINC001577730399 1075329865 /nfs/dbraw/zinc/32/98/65/1075329865.db2.gz INDOHDAYUXJXQA-UMSPYCQHSA-N 0 1 389.420 -1.471 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)CCCc3c[nH]nn3)C2)nn1 ZINC001577730399 1075329863 /nfs/dbraw/zinc/32/98/63/1075329863.db2.gz INDOHDAYUXJXQA-UMSPYCQHSA-N 0 1 389.420 -1.471 20 0 GAADMN NC(=O)NC1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)CCOCc4c[nH]nn4)[C@@H]3C2)CC1 ZINC001577730429 1075329892 /nfs/dbraw/zinc/32/98/92/1075329892.db2.gz JMGXQTFATXQBQM-XYYAHUGASA-N 0 1 391.432 -1.267 20 0 GAADMN NC(=O)N1CCCC[C@@H]1C(=O)NC1CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577730460 1075329873 /nfs/dbraw/zinc/32/98/73/1075329873.db2.gz KPEWZWBEPURGHD-GFCCVEGCSA-N 0 1 392.420 -1.929 20 0 GAADMN NC(=O)N1CCCC[C@H]1C(=O)NC1CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577730461 1075330036 /nfs/dbraw/zinc/33/00/36/1075330036.db2.gz KPEWZWBEPURGHD-LBPRGKRZSA-N 0 1 392.420 -1.929 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)CCCCc3cn[nH]n3)C2)nn1 ZINC001577730493 1075329830 /nfs/dbraw/zinc/32/98/30/1075329830.db2.gz LTPKSMPXMTYCRK-HAQNSBGRSA-N 0 1 389.420 -1.329 20 0 GAADMN NC(=O)Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2cnn[nH]2)nn1 ZINC001577730503 1075330024 /nfs/dbraw/zinc/33/00/24/1075330024.db2.gz MIEJIVZXEFDKDF-HBYGRHMLSA-N 0 1 387.404 -1.909 20 0 GAADMN NC(=O)Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2c[nH]nn2)nn1 ZINC001577730503 1075330018 /nfs/dbraw/zinc/33/00/18/1075330018.db2.gz MIEJIVZXEFDKDF-HBYGRHMLSA-N 0 1 387.404 -1.909 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@H]2CCCN(CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577730531 1075330010 /nfs/dbraw/zinc/33/00/10/1075330010.db2.gz MWDQQGBPSKBYLU-JTQLQIEISA-N 0 1 390.408 -2.608 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@@H]2CCCN(CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577730532 1075329842 /nfs/dbraw/zinc/32/98/42/1075329842.db2.gz MWDQQGBPSKBYLU-SNVBAGLBSA-N 0 1 390.408 -2.608 20 0 GAADMN NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577730535 1075329932 /nfs/dbraw/zinc/32/99/32/1075329932.db2.gz MZNVEAVQXNHFMN-COMQUAJESA-N 0 1 390.448 -1.600 20 0 GAADMN NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577730536 1075330437 /nfs/dbraw/zinc/33/04/37/1075330437.db2.gz MZNVEAVQXNHFMN-SFDCQRBFSA-N 0 1 390.448 -1.600 20 0 GAADMN NC(=O)Cn1cc(C(=O)NCC2CN(C(=O)CCOCc3c[nH]nn3)C2)nn1 ZINC001577730552 1075330467 /nfs/dbraw/zinc/33/04/67/1075330467.db2.gz NHQCKWJOUBECDK-UHFFFAOYSA-N 0 1 391.392 -2.323 20 0 GAADMN NC(=O)Cn1cc(C(=O)N2CCN(C3CN(CCc4c[nH]nn4)C3)CC2)nn1 ZINC001577730553 1075330320 /nfs/dbraw/zinc/33/03/20/1075330320.db2.gz NLCWGESOHRLHLC-UHFFFAOYSA-N 0 1 388.436 -2.434 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOCc1c[nH]nn1 ZINC001577730577 1075330291 /nfs/dbraw/zinc/33/02/91/1075330291.db2.gz ODUJOBPFVFEOSG-SFDCQRBFSA-N 0 1 391.432 -1.173 20 0 GAADMN NC(=O)NC(=O)CN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001577730605 1075330311 /nfs/dbraw/zinc/33/03/11/1075330311.db2.gz PLXHXJJJQAWBSF-LBPRGKRZSA-N 0 1 392.420 -1.929 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=O)NCc1c[nH]nn1 ZINC001577730614 1075330277 /nfs/dbraw/zinc/33/02/77/1075330277.db2.gz PXROYCFWQPBLBU-KBPBESRZSA-N 0 1 392.464 -1.065 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=O)NCc1c[nH]nn1 ZINC001577730615 1075330364 /nfs/dbraw/zinc/33/03/64/1075330364.db2.gz PXROYCFWQPBLBU-KGLIPLIRSA-N 0 1 392.464 -1.065 20 0 GAADMN NC(=O)Cn1cc(C(=O)N2CC(NC(=O)CCCCc3cn[nH]n3)C2)nn1 ZINC001577730637 1075330459 /nfs/dbraw/zinc/33/04/59/1075330459.db2.gz QJLITRLSGOOIHX-UHFFFAOYSA-N 0 1 375.393 -1.765 20 0 GAADMN NC(=O)Cn1cc(C(=O)NC[C@H]2CCC3(CN(CCc4c[nH]nn4)C3)O2)nn1 ZINC001577730755 1075330736 /nfs/dbraw/zinc/33/07/36/1075330736.db2.gz VFISEZFKFVCNPU-GFCCVEGCSA-N 0 1 389.420 -1.913 20 0 GAADMN NC(=O)Cn1cc(C(=O)NC[C@@H]2CCC3(CN(CCc4c[nH]nn4)C3)O2)nn1 ZINC001577730756 1075330675 /nfs/dbraw/zinc/33/06/75/1075330675.db2.gz VFISEZFKFVCNPU-LBPRGKRZSA-N 0 1 389.420 -1.913 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577730770 1075330770 /nfs/dbraw/zinc/33/07/70/1075330770.db2.gz VPYBNNGLDXFBCT-AAEUAGOBSA-N 0 1 379.421 -1.028 20 0 GAADMN NC(=O)Cc1occc1C(=O)N[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1O ZINC001577730781 1075330718 /nfs/dbraw/zinc/33/07/18/1075330718.db2.gz WASRZSSWQSKGAJ-CHWSQXEVSA-N 0 1 390.400 -1.250 20 0 GAADMN NC(=O)Cc1occc1C(=O)N[C@@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@H]1O ZINC001577730781 1075330714 /nfs/dbraw/zinc/33/07/14/1075330714.db2.gz WASRZSSWQSKGAJ-CHWSQXEVSA-N 0 1 390.400 -1.250 20 0 GAADMN NC(=O)Cn1cc(C(=O)NCC2(NC(=O)CCCc3cnn[nH]3)CCC2)nn1 ZINC001577730811 1075330934 /nfs/dbraw/zinc/33/09/34/1075330934.db2.gz XGOQXQVZXXMQIJ-UHFFFAOYSA-N 0 1 389.420 -1.327 20 0 GAADMN NC(=O)Cn1cc(C(=O)NCC2(NC(=O)CCCc3c[nH]nn3)CCC2)nn1 ZINC001577730811 1075330931 /nfs/dbraw/zinc/33/09/31/1075330931.db2.gz XGOQXQVZXXMQIJ-UHFFFAOYSA-N 0 1 389.420 -1.327 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@@H]2CCN(C(=O)CCCc3cnn[nH]3)C2)nn1 ZINC001577730836 1075330832 /nfs/dbraw/zinc/33/08/32/1075330832.db2.gz YBYNNWBHSPCHTR-LLVKDONJSA-N 0 1 375.393 -1.765 20 0 GAADMN NC(=O)Cn1cc(C(=O)N[C@@H]2CCN(C(=O)CCCc3c[nH]nn3)C2)nn1 ZINC001577730836 1075330826 /nfs/dbraw/zinc/33/08/26/1075330826.db2.gz YBYNNWBHSPCHTR-LLVKDONJSA-N 0 1 375.393 -1.765 20 0 GAADMN NC(=O)N1CCC[C@@H](C(=O)NC2CCN(CC(=O)NCc3c[nH]nn3)CC2)C1 ZINC001577730848 1075330846 /nfs/dbraw/zinc/33/08/46/1075330846.db2.gz YLFJFDFOKGBRJT-GFCCVEGCSA-N 0 1 392.464 -1.208 20 0 GAADMN NC(=O)N1CCC[C@H](C(=O)NC2CCN(CC(=O)NCc3c[nH]nn3)CC2)C1 ZINC001577730849 1075330789 /nfs/dbraw/zinc/33/07/89/1075330789.db2.gz 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NC(=O)c1cc(C(=O)NC[C@H](O)CNC(=O)C2(Cc3c[nH]nn3)CCC2)c[nH]1 ZINC001577735272 1075333408 /nfs/dbraw/zinc/33/34/08/1075333408.db2.gz OOTPGBWLBOVEHX-LBPRGKRZSA-N 0 1 389.416 -1.148 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577735300 1075333873 /nfs/dbraw/zinc/33/38/73/1075333873.db2.gz PUMPKWFLZQMMSY-RDBSUJKOSA-N 0 1 393.448 -2.172 20 0 GAADMN NC(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCc3cnn[nH]3)C2)co1 ZINC001577735323 1075333749 /nfs/dbraw/zinc/33/37/49/1075333749.db2.gz QNJCYVDGFTWSLM-VXGBXAGGSA-N 0 1 376.373 -1.179 20 0 GAADMN NC(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCc3c[nH]nn3)C2)co1 ZINC001577735323 1075333741 /nfs/dbraw/zinc/33/37/41/1075333741.db2.gz QNJCYVDGFTWSLM-VXGBXAGGSA-N 0 1 376.373 -1.179 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)CCOCc3c[nH]nn3)C2)C1 ZINC001577735347 1075333938 /nfs/dbraw/zinc/33/39/38/1075333938.db2.gz RTDNCFQHPCBNPM-OLZOCXBDSA-N 0 1 376.417 -1.106 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCN2CCN(Cc3c[nH]nn3)CC2)O1 ZINC001577735372 1075333803 /nfs/dbraw/zinc/33/38/03/1075333803.db2.gz STBUKZUJZZWPBY-CABCVRRESA-N 0 1 379.465 -1.148 20 0 GAADMN NC(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(=O)NCc2c[nH]nn2)c[nH]1 ZINC001577735410 1075333848 /nfs/dbraw/zinc/33/38/48/1075333848.db2.gz USLAWNQXFRMFBR-BETUJISGSA-N 0 1 386.416 -1.163 20 0 GAADMN NC(=O)c1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)c1 ZINC001577735414 1075333827 /nfs/dbraw/zinc/33/38/27/1075333827.db2.gz VBAZDVOFJWMODT-AWEZNQCLSA-N 0 1 386.416 -1.163 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577735423 1075333958 /nfs/dbraw/zinc/33/39/58/1075333958.db2.gz VJDOGQOHESXSRH-FTLABTOESA-N 0 1 399.411 -1.319 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577735424 1075333918 /nfs/dbraw/zinc/33/39/18/1075333918.db2.gz VJDOGQOHESXSRH-SOZUMNATSA-N 0 1 399.411 -1.319 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577735436 1075333858 /nfs/dbraw/zinc/33/38/58/1075333858.db2.gz VMJSEWKHWIHIAX-ATGSNQNLSA-N 0 1 389.460 -1.002 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577735468 1075333787 /nfs/dbraw/zinc/33/37/87/1075333787.db2.gz WMTYTEVRTMQTAJ-ATGSNQNLSA-N 0 1 389.460 -1.002 20 0 GAADMN NC(=O)c1cc(C(=O)NCc2cn(C3CN(CCc4c[nH]nn4)C3)nn2)c[nH]1 ZINC001577735474 1075333727 /nfs/dbraw/zinc/33/37/27/1075333727.db2.gz WWFHOKNEXYNRIX-UHFFFAOYSA-N 0 1 384.404 -1.147 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577735476 1075333929 /nfs/dbraw/zinc/33/39/29/1075333929.db2.gz XBSSVAWXMBQWIO-TUYISWAISA-N 0 1 375.389 -2.495 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001577735477 1075333904 /nfs/dbraw/zinc/33/39/04/1075333904.db2.gz XCJNDAHAIDOODS-UPJWGTAASA-N 0 1 399.411 -1.055 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001577735478 1075333979 /nfs/dbraw/zinc/33/39/79/1075333979.db2.gz XCJNDAHAIDOODS-XQQFMLRXSA-N 0 1 399.411 -1.055 20 0 GAADMN NC(=O)c1cc(C(=O)N2CC[C@@H](NC(=O)CC(=O)NCc3c[nH]nn3)C2)c[nH]1 ZINC001577735502 1075333886 /nfs/dbraw/zinc/33/38/86/1075333886.db2.gz YMLSLLWLIITWFQ-SNVBAGLBSA-N 0 1 388.388 -1.731 20 0 GAADMN NC(=O)c1cc(C(=O)NC2(CCO)CN(CC(=O)NCc3c[nH]nn3)C2)co1 ZINC001577735527 1075333948 /nfs/dbraw/zinc/33/39/48/1075333948.db2.gz ZGBPFABFSGYBHT-UHFFFAOYSA-N 0 1 391.388 -2.020 20 0 GAADMN NC(=O)c1c[nH]c(C(=O)NCC2=CCN(CC(=O)NCc3c[nH]nn3)CC2)c1 ZINC001577735535 1075334222 /nfs/dbraw/zinc/33/42/22/1075334222.db2.gz ZJUVOMDVMUZDEE-UHFFFAOYSA-N 0 1 386.416 -1.090 20 0 GAADMN NC(=O)c1cc(C(=O)N2CC(n3cc(CNCCc4cn[nH]n4)nn3)C2)c[nH]1 ZINC001577735541 1075334335 /nfs/dbraw/zinc/33/43/35/1075334335.db2.gz ZKZATKKDKPSMKX-UHFFFAOYSA-N 0 1 384.404 -1.147 20 0 GAADMN NC(=O)c1cccc(C(=O)NC2CCN(CC(=O)NCc3c[nH]nn3)CC2)n1 ZINC001577737360 1075334350 /nfs/dbraw/zinc/33/43/50/1075334350.db2.gz FBNFDUFOQOYRRV-UHFFFAOYSA-N 0 1 386.416 -1.191 20 0 GAADMN NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCc3cnn[nH]3)C2)o1 ZINC001577737413 1075334385 /nfs/dbraw/zinc/33/43/85/1075334385.db2.gz GRJKSUYKIZPUEM-GHMZBOCLSA-N 0 1 376.373 -1.179 20 0 GAADMN NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCc3c[nH]nn3)C2)o1 ZINC001577737413 1075334383 /nfs/dbraw/zinc/33/43/83/1075334383.db2.gz GRJKSUYKIZPUEM-GHMZBOCLSA-N 0 1 376.373 -1.179 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)CCCc3cnn[nH]3)C[C@H]2O)nc1 ZINC001577737554 1075334358 /nfs/dbraw/zinc/33/43/58/1075334358.db2.gz KUYGGGUNARRTMY-ZIAGYGMSSA-N 0 1 387.400 -1.377 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)CCCc3c[nH]nn3)C[C@H]2O)nc1 ZINC001577737554 1075334356 /nfs/dbraw/zinc/33/43/56/1075334356.db2.gz KUYGGGUNARRTMY-ZIAGYGMSSA-N 0 1 387.400 -1.377 20 0 GAADMN NC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)NCc3c[nH]nn3)CC2)[nH]1 ZINC001577737572 1075334347 /nfs/dbraw/zinc/33/43/47/1075334347.db2.gz LOICONBWYVHNDJ-UHFFFAOYSA-N 0 1 382.406 -1.976 20 0 GAADMN NC(=O)c1cccc(C(=O)NC[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577737704 1075334270 /nfs/dbraw/zinc/33/42/70/1075334270.db2.gz QEVJIQGOMFDTIF-LLVKDONJSA-N 0 1 386.416 -1.333 20 0 GAADMN NC(=O)c1cccc(C(=O)NC[C@@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577737705 1075334300 /nfs/dbraw/zinc/33/43/00/1075334300.db2.gz QEVJIQGOMFDTIF-NSHDSACASA-N 0 1 386.416 -1.333 20 0 GAADMN NC(=O)c1ccc(C(=O)NCc2cn(C3CN(Cc4c[nH]nn4)C3)nn2)cn1 ZINC001577737730 1075334379 /nfs/dbraw/zinc/33/43/79/1075334379.db2.gz QYZVAZBMBMXVGO-UHFFFAOYSA-N 0 1 382.388 -1.123 20 0 GAADMN NC(=O)c1ccc(C(=O)NCC2(O)CN(C(=O)CCCc3cnn[nH]3)C2)cn1 ZINC001577737772 1075334376 /nfs/dbraw/zinc/33/43/76/1075334376.db2.gz SMXCQGZHRWRCCM-UHFFFAOYSA-N 0 1 387.400 -1.375 20 0 GAADMN NC(=O)c1ccc(C(=O)NCC2(O)CN(C(=O)CCCc3c[nH]nn3)C2)cn1 ZINC001577737772 1075334373 /nfs/dbraw/zinc/33/43/73/1075334373.db2.gz SMXCQGZHRWRCCM-UHFFFAOYSA-N 0 1 387.400 -1.375 20 0 GAADMN NC(=O)c1ccc(CC(=O)NCC2CN(CC(=O)NCc3c[nH]nn3)C2)cn1 ZINC001577737813 1075334392 /nfs/dbraw/zinc/33/43/92/1075334392.db2.gz UJUHDQITLIFKGM-UHFFFAOYSA-N 0 1 386.416 -1.795 20 0 GAADMN NC(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)CCCc3cnn[nH]3)C[C@@H]2O)n1 ZINC001577737857 1075334364 /nfs/dbraw/zinc/33/43/64/1075334364.db2.gz VTGADQXGXOYYQV-KGLIPLIRSA-N 0 1 387.400 -1.377 20 0 GAADMN NC(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)CCCc3c[nH]nn3)C[C@@H]2O)n1 ZINC001577737857 1075334362 /nfs/dbraw/zinc/33/43/62/1075334362.db2.gz VTGADQXGXOYYQV-KGLIPLIRSA-N 0 1 387.400 -1.377 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(CC(=O)NCc3c[nH]nn3)C2)cn1 ZINC001577737867 1075334235 /nfs/dbraw/zinc/33/42/35/1075334235.db2.gz WFCBRYBDFRDWKX-GFCCVEGCSA-N 0 1 386.416 -1.191 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@H]2CCCN(CC(=O)NCc3c[nH]nn3)C2)cn1 ZINC001577737868 1075334257 /nfs/dbraw/zinc/33/42/57/1075334257.db2.gz WFCBRYBDFRDWKX-LBPRGKRZSA-N 0 1 386.416 -1.191 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]2O)nc1 ZINC001577737875 1075334201 /nfs/dbraw/zinc/33/42/01/1075334201.db2.gz WIJINHROTBERJC-CHWSQXEVSA-N 0 1 388.388 -2.610 20 0 GAADMN NC(=O)c1ccc(CC(=O)NC2CN(C(=O)CCOCc3c[nH]nn3)C2)cn1 ZINC001577737919 1075334389 /nfs/dbraw/zinc/33/43/89/1075334389.db2.gz YDMBSNMYECLTFB-UHFFFAOYSA-N 0 1 387.400 -1.225 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@@H](CO)CNC(=O)CCCc2cnn[nH]2)cn1 ZINC001577737966 1075334188 /nfs/dbraw/zinc/33/41/88/1075334188.db2.gz ZRQNMQJEXCOOAH-GFCCVEGCSA-N 0 1 375.389 -1.472 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@@H](CO)CNC(=O)CCCc2c[nH]nn2)cn1 ZINC001577737966 1075334183 /nfs/dbraw/zinc/33/41/83/1075334183.db2.gz ZRQNMQJEXCOOAH-GFCCVEGCSA-N 0 1 375.389 -1.472 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@H](CO)CNC(=O)CCCc2cnn[nH]2)cn1 ZINC001577737967 1075334370 /nfs/dbraw/zinc/33/43/70/1075334370.db2.gz ZRQNMQJEXCOOAH-LBPRGKRZSA-N 0 1 375.389 -1.472 20 0 GAADMN NC(=O)c1ccc(C(=O)N[C@H](CO)CNC(=O)CCCc2c[nH]nn2)cn1 ZINC001577737967 1075334368 /nfs/dbraw/zinc/33/43/68/1075334368.db2.gz ZRQNMQJEXCOOAH-LBPRGKRZSA-N 0 1 375.389 -1.472 20 0 GAADMN NS(=O)(=O)c1n[nH]cc1C(=O)N1CC(NC(=O)CCCc2cnn[nH]2)C1 ZINC001577739842 1075334822 /nfs/dbraw/zinc/33/48/22/1075334822.db2.gz BFXNVAVSPFKVPE-UHFFFAOYSA-N 0 1 382.406 -1.861 20 0 GAADMN NS(=O)(=O)c1n[nH]cc1C(=O)N1CC(NC(=O)CCCc2c[nH]nn2)C1 ZINC001577739842 1075334819 /nfs/dbraw/zinc/33/48/19/1075334819.db2.gz BFXNVAVSPFKVPE-UHFFFAOYSA-N 0 1 382.406 -1.861 20 0 GAADMN NC(=O)c1nccnc1C(=O)NCC1(NC(=O)CCOCc2c[nH]nn2)CC1 ZINC001577739902 1075334657 /nfs/dbraw/zinc/33/46/57/1075334657.db2.gz DEBXMCYOPWTSJU-UHFFFAOYSA-N 0 1 388.388 -1.321 20 0 GAADMN NC(=O)c1ncn(CC(=O)NCC2CN(C(=O)CCCc3cnn[nH]3)C2)n1 ZINC001577739937 1075334715 /nfs/dbraw/zinc/33/47/15/1075334715.db2.gz FPWYZAUQKYNOIN-UHFFFAOYSA-N 0 1 375.393 -1.907 20 0 GAADMN NC(=O)c1ncn(CC(=O)NCC2CN(C(=O)CCCc3c[nH]nn3)C2)n1 ZINC001577739937 1075334708 /nfs/dbraw/zinc/33/47/08/1075334708.db2.gz FPWYZAUQKYNOIN-UHFFFAOYSA-N 0 1 375.393 -1.907 20 0 GAADMN NC(=O)c1ncn(CC(=O)NC[C@@H]2CCN2CC(=O)NCc2c[nH]nn2)n1 ZINC001577739989 1075334848 /nfs/dbraw/zinc/33/48/48/1075334848.db2.gz HHNNBKFOQFARER-JTQLQIEISA-N 0 1 376.381 -2.998 20 0 GAADMN NC(=O)c1ncn(CC(=O)NC[C@H]2CCN2CC(=O)NCc2c[nH]nn2)n1 ZINC001577739990 1075334810 /nfs/dbraw/zinc/33/48/10/1075334810.db2.gz HHNNBKFOQFARER-SNVBAGLBSA-N 0 1 376.381 -2.998 20 0 GAADMN NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2CCCN(Cc3c[nH]nn3)C2)c1 ZINC001577740113 1075334691 /nfs/dbraw/zinc/33/46/91/1075334691.db2.gz IXDYQFGQBOAJIR-LLVKDONJSA-N 0 1 382.450 -1.181 20 0 GAADMN NS(=O)(=O)c1cnn(CCC(=O)N[C@H]2CCCN(Cc3c[nH]nn3)C2)c1 ZINC001577740114 1075334621 /nfs/dbraw/zinc/33/46/21/1075334621.db2.gz IXDYQFGQBOAJIR-NSHDSACASA-N 0 1 382.450 -1.181 20 0 GAADMN NC(=O)c1ncn(CC(=O)NC[C@H]2CCCN2C(=O)CCCc2cnn[nH]2)n1 ZINC001577740124 1075334831 /nfs/dbraw/zinc/33/48/31/1075334831.db2.gz JITPCABLACBBEC-GFCCVEGCSA-N 0 1 389.420 -1.375 20 0 GAADMN NC(=O)c1ncn(CC(=O)NC[C@H]2CCCN2C(=O)CCCc2c[nH]nn2)n1 ZINC001577740124 1075334828 /nfs/dbraw/zinc/33/48/28/1075334828.db2.gz JITPCABLACBBEC-GFCCVEGCSA-N 0 1 389.420 -1.375 20 0 GAADMN NC(=O)c1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCc1c[nH]nn1 ZINC001577740155 1075334672 /nfs/dbraw/zinc/33/46/72/1075334672.db2.gz JQWGTGHEPUHWCU-BNOWGMLFSA-N 0 1 398.427 -1.050 20 0 GAADMN NC(=O)c1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCc1c[nH]nn1 ZINC001577740156 1075334789 /nfs/dbraw/zinc/33/47/89/1075334789.db2.gz JQWGTGHEPUHWCU-XBFCOCLRSA-N 0 1 398.427 -1.050 20 0 GAADMN NC(=O)c1nccnc1C(=O)N1CC[C@H](NC(=O)CCOCc2c[nH]nn2)C1 ZINC001577740177 1075334756 /nfs/dbraw/zinc/33/47/56/1075334756.db2.gz KBKIGRATWLSCQK-JTQLQIEISA-N 0 1 388.388 -1.369 20 0 GAADMN NC(=O)c1nccnc1C(=O)N1CC[C@@H](NC(=O)CCOCc2c[nH]nn2)C1 ZINC001577740178 1075334743 /nfs/dbraw/zinc/33/47/43/1075334743.db2.gz KBKIGRATWLSCQK-SNVBAGLBSA-N 0 1 388.388 -1.369 20 0 GAADMN NC(=O)c1ccnc(C(=O)N[C@@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]2O)c1 ZINC001577740263 1075335145 /nfs/dbraw/zinc/33/51/45/1075335145.db2.gz LBUGMTLQFHBSFV-CHWSQXEVSA-N 0 1 388.388 -2.610 20 0 GAADMN NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1COC2(CN(Cc3c[nH]nn3)C2)C1 ZINC001577740292 1075335224 /nfs/dbraw/zinc/33/52/24/1075335224.db2.gz LQICMWSDECAUMZ-MRVPVSSYSA-N 0 1 382.406 -2.052 20 0 GAADMN NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1COC2(CN(Cc3c[nH]nn3)C2)C1 ZINC001577740294 1075335264 /nfs/dbraw/zinc/33/52/64/1075335264.db2.gz LQICMWSDECAUMZ-QMMMGPOBSA-N 0 1 382.406 -2.052 20 0 GAADMN NC(=O)c1ncn(CC(=O)N[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577740312 1075335071 /nfs/dbraw/zinc/33/50/71/1075335071.db2.gz LWZJHYUADFBJPT-VIFPVBQESA-N 0 1 376.381 -2.998 20 0 GAADMN NC(=O)c1csc(C(=O)NC[C@@H](CO)NCC(=O)NCc2cn[nH]n2)c1 ZINC001577740313 1075335276 /nfs/dbraw/zinc/33/52/76/1075335276.db2.gz LYYYOBXWMLBRJW-JTQLQIEISA-N 0 1 381.418 -2.038 20 0 GAADMN NC(=O)c1csc(C(=O)NC[C@H](CO)NCC(=O)NCc2cn[nH]n2)c1 ZINC001577740320 1075335108 /nfs/dbraw/zinc/33/51/08/1075335108.db2.gz LYYYOBXWMLBRJW-SNVBAGLBSA-N 0 1 381.418 -2.038 20 0 GAADMN NC(=O)c1ncccc1C(=O)N[C@@H](CO)CNC(=O)CCCc1cnn[nH]1 ZINC001577740341 1075335291 /nfs/dbraw/zinc/33/52/91/1075335291.db2.gz MITKRUUWAAEXOF-LLVKDONJSA-N 0 1 375.389 -1.472 20 0 GAADMN NC(=O)c1ncccc1C(=O)N[C@@H](CO)CNC(=O)CCCc1c[nH]nn1 ZINC001577740341 1075335287 /nfs/dbraw/zinc/33/52/87/1075335287.db2.gz MITKRUUWAAEXOF-LLVKDONJSA-N 0 1 375.389 -1.472 20 0 GAADMN NC(=O)c1ncccc1C(=O)N[C@H](CO)CNC(=O)CCCc1cnn[nH]1 ZINC001577740343 1075335185 /nfs/dbraw/zinc/33/51/85/1075335185.db2.gz MITKRUUWAAEXOF-NSHDSACASA-N 0 1 375.389 -1.472 20 0 GAADMN NC(=O)c1ncccc1C(=O)N[C@H](CO)CNC(=O)CCCc1c[nH]nn1 ZINC001577740343 1075335180 /nfs/dbraw/zinc/33/51/80/1075335180.db2.gz MITKRUUWAAEXOF-NSHDSACASA-N 0 1 375.389 -1.472 20 0 GAADMN NC(=O)c1ccnc(C(=O)N2CC(n3cc(CNCc4c[nH]nn4)nn3)C2)c1 ZINC001577740349 1075335156 /nfs/dbraw/zinc/33/51/56/1075335156.db2.gz MODSGRWOZSLMGX-UHFFFAOYSA-N 0 1 382.388 -1.123 20 0 GAADMN NC(=O)c1ncn(CC(=O)N2CC[C@@H](NC(=O)CCOCc3c[nH]nn3)C2)n1 ZINC001577740354 1075335196 /nfs/dbraw/zinc/33/51/96/1075335196.db2.gz MRRYQYFUDCMCEB-SNVBAGLBSA-N 0 1 391.392 -2.181 20 0 GAADMN NS(=O)(=O)CCOCCNC(=O)NC1(Cc2cnn[nH]2)CCOCC1 ZINC001577740458 1075335091 /nfs/dbraw/zinc/33/50/91/1075335091.db2.gz OMOTXEJYOAUTRT-UHFFFAOYSA-N 0 1 376.439 -1.499 20 0 GAADMN NS(=O)(=O)CCOCCNC(=O)NC1(Cc2c[nH]nn2)CCOCC1 ZINC001577740458 1075335086 /nfs/dbraw/zinc/33/50/86/1075335086.db2.gz OMOTXEJYOAUTRT-UHFFFAOYSA-N 0 1 376.439 -1.499 20 0 GAADMN NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CN(CCc3c[nH]nn3)CCO2)co1 ZINC001577740560 1075335235 /nfs/dbraw/zinc/33/52/35/1075335235.db2.gz QTTVBTYZICDZIO-GFCCVEGCSA-N 0 1 384.418 -1.282 20 0 GAADMN NS(=O)(=O)c1cc(C(=O)NC[C@H]2CN(CCc3c[nH]nn3)CCO2)co1 ZINC001577740561 1075335169 /nfs/dbraw/zinc/33/51/69/1075335169.db2.gz QTTVBTYZICDZIO-LBPRGKRZSA-N 0 1 384.418 -1.282 20 0 GAADMN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@@H]1O ZINC001577740585 1075335123 /nfs/dbraw/zinc/33/51/23/1075335123.db2.gz RRNNZRRNLXBNBR-NEPJUHHUSA-N 0 1 388.450 -2.116 20 0 GAADMN NS(=O)(=O)CCCC(=O)N[C@@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@@H]1O ZINC001577740585 1075335120 /nfs/dbraw/zinc/33/51/20/1075335120.db2.gz RRNNZRRNLXBNBR-NEPJUHHUSA-N 0 1 388.450 -2.116 20 0 GAADMN NC(=O)c1nccnc1C(=O)NCCN(CC(=O)NCc1c[nH]nn1)C1CC1 ZINC001577740727 1075335586 /nfs/dbraw/zinc/33/55/86/1075335586.db2.gz UHBVQJUEEDCCAB-UHFFFAOYSA-N 0 1 387.404 -1.796 20 0 GAADMN NC(=O)c1nccnc1C(=O)N[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577740732 1075335708 /nfs/dbraw/zinc/33/57/08/1075335708.db2.gz UJDGFQUDTOGBOP-JTQLQIEISA-N 0 1 388.388 -1.369 20 0 GAADMN NC(=O)c1nccnc1C(=O)N[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577740733 1075335561 /nfs/dbraw/zinc/33/55/61/1075335561.db2.gz UJDGFQUDTOGBOP-SNVBAGLBSA-N 0 1 388.388 -1.369 20 0 GAADMN NC(=O)c1ncn(CC(=O)NC[C@@H]2CN(Cc3c[nH]nn3)CCC2(F)F)n1 ZINC001577740754 1075335718 /nfs/dbraw/zinc/33/57/18/1075335718.db2.gz VDLCEEXETHOCTJ-SECBINFHSA-N 0 1 383.363 -1.231 20 0 GAADMN NC(=O)c1ncn(CC(=O)NC[C@H]2CN(Cc3c[nH]nn3)CCC2(F)F)n1 ZINC001577740755 1075335576 /nfs/dbraw/zinc/33/55/76/1075335576.db2.gz VDLCEEXETHOCTJ-VIFPVBQESA-N 0 1 383.363 -1.231 20 0 GAADMN NC(=O)c1nccnc1C(=O)NCC1CN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577740779 1075335667 /nfs/dbraw/zinc/33/56/67/1075335667.db2.gz VVZBGBCULKXBPJ-UHFFFAOYSA-N 0 1 388.388 -1.511 20 0 GAADMN NC(=O)c1ncccc1C(=O)NC1CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577740898 1075335506 /nfs/dbraw/zinc/33/55/06/1075335506.db2.gz WRDBGRTWBVOHGE-UHFFFAOYSA-N 0 1 386.372 -2.054 20 0 GAADMN NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H](NC(=O)CCCc3cnn[nH]3)C2)n1 ZINC001577740955 1075335748 /nfs/dbraw/zinc/33/57/48/1075335748.db2.gz YVZZLFIITUBJCJ-PHIMTYICSA-N 0 1 375.393 -1.719 20 0 GAADMN NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H](NC(=O)CCCc3c[nH]nn3)C2)n1 ZINC001577740955 1075335744 /nfs/dbraw/zinc/33/57/44/1075335744.db2.gz YVZZLFIITUBJCJ-PHIMTYICSA-N 0 1 375.393 -1.719 20 0 GAADMN NC(=O)c1ncn(CC(=O)NC[C@H]2CCC3(CN(Cc4c[nH]nn4)C3)O2)n1 ZINC001577740971 1075335548 /nfs/dbraw/zinc/33/55/48/1075335548.db2.gz ZNQQNEMYNFMXGF-LLVKDONJSA-N 0 1 375.393 -1.955 20 0 GAADMN NC(=O)c1ncn(CC(=O)NC[C@@H]2CCC3(CN(Cc4c[nH]nn4)C3)O2)n1 ZINC001577740972 1075335628 /nfs/dbraw/zinc/33/56/28/1075335628.db2.gz ZNQQNEMYNFMXGF-NSHDSACASA-N 0 1 375.393 -1.955 20 0 GAADMN NC(=O)c1ncn(CC(=O)N2CC[C@H](CNC(=O)CCCc3cnn[nH]3)C2)n1 ZINC001577740987 1075335697 /nfs/dbraw/zinc/33/56/97/1075335697.db2.gz ZSTCXZQXZROBIT-LLVKDONJSA-N 0 1 389.420 -1.517 20 0 GAADMN NC(=O)c1ncn(CC(=O)N2CC[C@H](CNC(=O)CCCc3c[nH]nn3)C2)n1 ZINC001577740987 1075335693 /nfs/dbraw/zinc/33/56/93/1075335693.db2.gz ZSTCXZQXZROBIT-LLVKDONJSA-N 0 1 389.420 -1.517 20 0 GAADMN NC(=O)c1ncn(CC(=O)N2CC[C@@H](CNC(=O)CCCc3cnn[nH]3)C2)n1 ZINC001577740988 1075335733 /nfs/dbraw/zinc/33/57/33/1075335733.db2.gz ZSTCXZQXZROBIT-NSHDSACASA-N 0 1 389.420 -1.517 20 0 GAADMN NC(=O)c1ncn(CC(=O)N2CC[C@@H](CNC(=O)CCCc3c[nH]nn3)C2)n1 ZINC001577740988 1075335728 /nfs/dbraw/zinc/33/57/28/1075335728.db2.gz ZSTCXZQXZROBIT-NSHDSACASA-N 0 1 389.420 -1.517 20 0 GAADMN NC(=O)c1nccnc1C(=O)N1CCN(C2CN(CCc3c[nH]nn3)C2)CC1 ZINC001577740993 1075335618 /nfs/dbraw/zinc/33/56/18/1075335618.db2.gz ZZHSBCZVVYZDQX-UHFFFAOYSA-N 0 1 385.432 -1.622 20 0 GAADMN Nc1nccnc1C(=O)NC[C@@H]1CN(CC(=O)NCc2c[nH]nn2)CCCO1 ZINC001577742655 1075335785 /nfs/dbraw/zinc/33/57/85/1075335785.db2.gz GCEQRXBQPSDKGU-GFCCVEGCSA-N 0 1 389.420 -1.686 20 0 GAADMN Nc1nccnc1C(=O)NC[C@H]1CN(CC(=O)NCc2c[nH]nn2)CCCO1 ZINC001577742656 1075335493 /nfs/dbraw/zinc/33/54/93/1075335493.db2.gz GCEQRXBQPSDKGU-LBPRGKRZSA-N 0 1 389.420 -1.686 20 0 GAADMN Nc1nccnc1C(=O)N1CCC[C@@H]1CNC(=O)CC(=O)NCc1c[nH]nn1 ZINC001577742836 1075336208 /nfs/dbraw/zinc/33/62/08/1075336208.db2.gz IZWLQEBARFKOJH-LLVKDONJSA-N 0 1 387.404 -1.396 20 0 GAADMN Nc1nccnc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C[C@@H]1O ZINC001577742846 1075336232 /nfs/dbraw/zinc/33/62/32/1075336232.db2.gz JGMLAUCKTCHMAE-OLZOCXBDSA-N 0 1 395.383 -1.146 20 0 GAADMN Nc1nccnc1C(=O)NCC[C@@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O ZINC001577742886 1075336093 /nfs/dbraw/zinc/33/60/93/1075336093.db2.gz LNKXFSWFGIGLJV-LLVKDONJSA-N 0 1 380.434 -1.404 20 0 GAADMN Nc1nccnc1C(=O)NCC[C@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O ZINC001577742887 1075336180 /nfs/dbraw/zinc/33/61/80/1075336180.db2.gz LNKXFSWFGIGLJV-NSHDSACASA-N 0 1 380.434 -1.404 20 0 GAADMN Nc1nccnc1C(=O)N1C[C@@H](NC(=O)CCOCc2c[nH]nn2)[C@@H](O)C1 ZINC001577743363 1075336086 /nfs/dbraw/zinc/33/60/86/1075336086.db2.gz VFUROBUXQXFNBJ-MNOVXSKESA-N 0 1 376.377 -1.915 20 0 GAADMN Nc1nccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577743425 1075336225 /nfs/dbraw/zinc/33/62/25/1075336225.db2.gz VYKCYGNUCKQPLN-UTUOFQBUSA-N 0 1 399.415 -1.255 20 0 GAADMN Nc1nccnc1C(=O)N[C@@]1(CO)CCCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577743501 1075336170 /nfs/dbraw/zinc/33/61/70/1075336170.db2.gz XPDSYSQCSORUDT-INIZCTEOSA-N 0 1 389.420 -1.950 20 0 GAADMN Nc1nccnc1C(=O)N[C@]1(CO)CCCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577743502 1075336077 /nfs/dbraw/zinc/33/60/77/1075336077.db2.gz XPDSYSQCSORUDT-MRXNPFEDSA-N 0 1 389.420 -1.950 20 0 GAADMN Nc1nc(C(=O)N[C@@H]2CCCN(Cc3c[nH]nn3)C2)nc(N2CCOCC2)n1 ZINC001577743529 1075336143 /nfs/dbraw/zinc/33/61/43/1075336143.db2.gz YXXWUUOJQULXGW-LLVKDONJSA-N 0 1 388.436 -1.197 20 0 GAADMN Nc1nc(C(=O)N[C@H]2CCCN(Cc3c[nH]nn3)C2)nc(N2CCOCC2)n1 ZINC001577743530 1075336055 /nfs/dbraw/zinc/33/60/55/1075336055.db2.gz YXXWUUOJQULXGW-NSHDSACASA-N 0 1 388.436 -1.197 20 0 GAADMN Nc1nccnc1C(=O)N1CC[C@H]2CN(C(=O)CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577743553 1075336133 /nfs/dbraw/zinc/33/61/33/1075336133.db2.gz ZVIPGCKOKGCVGG-CMPLNLGQSA-N 0 1 399.415 -1.444 20 0 GAADMN O=C([C@@H]1CCCc2nn[nH]c21)N1CCN(S(=O)(=O)NCc2c[nH]nn2)CC1 ZINC001577755501 1075336116 /nfs/dbraw/zinc/33/61/16/1075336116.db2.gz VRWUIELUFLJSFL-LLVKDONJSA-N 0 1 395.449 -1.479 20 0 GAADMN O=C([C@H]1CCCc2nn[nH]c21)N1CCN(S(=O)(=O)NCc2c[nH]nn2)CC1 ZINC001577755502 1075336216 /nfs/dbraw/zinc/33/62/16/1075336216.db2.gz VRWUIELUFLJSFL-NSHDSACASA-N 0 1 395.449 -1.479 20 0 GAADMN O=C(CCCc1cnn[nH]1)N1CC[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001577759463 1075336070 /nfs/dbraw/zinc/33/60/70/1075336070.db2.gz UUXABFOWOBIYNR-FPMFFAJLSA-N 0 1 396.473 -1.122 20 0 GAADMN O=C(CCCc1c[nH]nn1)N1CC[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001577759463 1075336066 /nfs/dbraw/zinc/33/60/66/1075336066.db2.gz UUXABFOWOBIYNR-FPMFFAJLSA-N 0 1 396.473 -1.122 20 0 GAADMN O=C(CCCc1cnn[nH]1)N1CC[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001577759467 1075336590 /nfs/dbraw/zinc/33/65/90/1075336590.db2.gz UUXABFOWOBIYNR-IACUBPJLSA-N 0 1 396.473 -1.122 20 0 GAADMN O=C(CCCc1c[nH]nn1)N1CC[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]21 ZINC001577759467 1075336589 /nfs/dbraw/zinc/33/65/89/1075336589.db2.gz UUXABFOWOBIYNR-IACUBPJLSA-N 0 1 396.473 -1.122 20 0 GAADMN CCCn1cc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001577761762 1075336557 /nfs/dbraw/zinc/33/65/57/1075336557.db2.gz CJILDLXHQGTCSS-JTQLQIEISA-N 0 1 387.408 -1.375 20 0 GAADMN CCCn1cc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001577761763 1075336513 /nfs/dbraw/zinc/33/65/13/1075336513.db2.gz CJILDLXHQGTCSS-SNVBAGLBSA-N 0 1 387.408 -1.375 20 0 GAADMN O=C(C=C1CCC1)N[C@@H]1CC(=O)N(C2CN(CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577762012 1075336497 /nfs/dbraw/zinc/33/64/97/1075336497.db2.gz FXUPLXJLYFXKNV-CYBMUJFWSA-N 0 1 387.444 -1.068 20 0 GAADMN O=C(C=C1CCC1)N[C@H]1CC(=O)N(C2CN(CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577762013 1075336545 /nfs/dbraw/zinc/33/65/45/1075336545.db2.gz FXUPLXJLYFXKNV-ZDUSSCGKSA-N 0 1 387.444 -1.068 20 0 GAADMN O=C(C=Cc1ccc[nH]1)NCC1(O)CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577762028 1075336571 /nfs/dbraw/zinc/33/65/71/1075336571.db2.gz GLLRUVCMLSBUPW-ARJAWSKDSA-N 0 1 387.400 -1.458 20 0 GAADMN O=C(C=Cc1ccc[nH]1)NCC1(O)CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577762029 1075336452 /nfs/dbraw/zinc/33/64/52/1075336452.db2.gz GLLRUVCMLSBUPW-ONEGZZNKSA-N 0 1 387.400 -1.458 20 0 GAADMN O=C(C=Cc1ccc[nH]1)NC[C@H](CO)NC(=O)CC(=O)NCc1c[nH]nn1 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ZINC001577768943 1075338617 /nfs/dbraw/zinc/33/86/17/1075338617.db2.gz HFMBUIJJCYCTMO-NSHDSACASA-N 0 1 392.416 -1.129 20 0 GAADMN O=C(CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577768989 1075338608 /nfs/dbraw/zinc/33/86/08/1075338608.db2.gz HISGJTSWMAGWMX-HOSYDEDBSA-N 0 1 393.404 -1.680 20 0 GAADMN O=C(CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577768992 1075338737 /nfs/dbraw/zinc/33/87/37/1075338737.db2.gz HISGJTSWMAGWMX-UMNHJUIQSA-N 0 1 393.404 -1.680 20 0 GAADMN O=C(CC(=O)N1CCN(CCNC(=O)CC2CC2)CC1)NCc1c[nH]nn1 ZINC001577768994 1075338747 /nfs/dbraw/zinc/33/87/47/1075338747.db2.gz HSCMEZDNZAKBRN-UHFFFAOYSA-N 0 1 377.449 -1.129 20 0 GAADMN O=C(CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577769031 1075338594 /nfs/dbraw/zinc/33/85/94/1075338594.db2.gz IQEXGRNHGIOWDM-IJLUTSLNSA-N 0 1 391.432 -1.652 20 0 GAADMN O=C(CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577769032 1075338638 /nfs/dbraw/zinc/33/86/38/1075338638.db2.gz IQEXGRNHGIOWDM-SRVKXCTJSA-N 0 1 391.432 -1.652 20 0 GAADMN O=C(CC(=O)N[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769040 1075338712 /nfs/dbraw/zinc/33/87/12/1075338712.db2.gz ISCHMICFIJTXNU-GXSJLCMTSA-N 0 1 379.377 -1.973 20 0 GAADMN O=C(CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769042 1075338728 /nfs/dbraw/zinc/33/87/28/1075338728.db2.gz ISCHMICFIJTXNU-KOLCDFICSA-N 0 1 379.377 -1.973 20 0 GAADMN O=C(CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769043 1075338706 /nfs/dbraw/zinc/33/87/06/1075338706.db2.gz ISCHMICFIJTXNU-MWLCHTKSSA-N 0 1 379.377 -1.973 20 0 GAADMN O=C(CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769044 1075338667 /nfs/dbraw/zinc/33/86/67/1075338667.db2.gz ISCHMICFIJTXNU-ONGXEEELSA-N 0 1 379.377 -1.973 20 0 GAADMN O=C(CC(=O)N1C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)C1)NCc1c[nH]nn1 ZINC001577769090 1075338660 /nfs/dbraw/zinc/33/86/60/1075338660.db2.gz JNDAVCXVDSPRRU-KGLIPLIRSA-N 0 1 390.375 -1.048 20 0 GAADMN O=C(CC(=O)NCc1c[nH]nn1)NCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001577769118 1075339080 /nfs/dbraw/zinc/33/90/80/1075339080.db2.gz JWKPQEXCYCGVQX-GFCCVEGCSA-N 0 1 384.393 -2.837 20 0 GAADMN O=C(CC(=O)NCc1c[nH]nn1)NCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001577769120 1075339097 /nfs/dbraw/zinc/33/90/97/1075339097.db2.gz JWKPQEXCYCGVQX-LBPRGKRZSA-N 0 1 384.393 -2.837 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1O ZINC001577769142 1075339117 /nfs/dbraw/zinc/33/91/17/1075339117.db2.gz KEGNQAJCKGLYRL-ZIAGYGMSSA-N 0 1 394.432 -1.684 20 0 GAADMN O=C(CC(=O)NC[C@H]1CCN(C(=O)CCn2cncn2)C1)NCc1c[nH]nn1 ZINC001577769150 1075339018 /nfs/dbraw/zinc/33/90/18/1075339018.db2.gz KFBDSVUIGUQQTQ-GFCCVEGCSA-N 0 1 389.420 -1.543 20 0 GAADMN O=C(CC(=O)NC[C@@H]1CCN(C(=O)CCn2cncn2)C1)NCc1c[nH]nn1 ZINC001577769153 1075339199 /nfs/dbraw/zinc/33/91/99/1075339199.db2.gz KFBDSVUIGUQQTQ-LBPRGKRZSA-N 0 1 389.420 -1.543 20 0 GAADMN O=C(CC(=O)NCC1CC(NC(=O)c2cn[nH]c(=O)c2)C1)NCc1c[nH]nn1 ZINC001577769158 1075339164 /nfs/dbraw/zinc/33/91/64/1075339164.db2.gz KKOLRYVDEITWQL-UHFFFAOYSA-N 0 1 388.388 -1.369 20 0 GAADMN O=C(CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1)NCc1c[nH]nn1 ZINC001577769162 1075339050 /nfs/dbraw/zinc/33/90/50/1075339050.db2.gz KNBKZXDMMNDUEI-GHMZBOCLSA-N 0 1 377.405 -1.946 20 0 GAADMN O=C(CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1)NCc1c[nH]nn1 ZINC001577769163 1075339156 /nfs/dbraw/zinc/33/91/56/1075339156.db2.gz KNBKZXDMMNDUEI-WDEREUQCSA-N 0 1 377.405 -1.946 20 0 GAADMN O=C(CC(=O)N[C@@H](CO)CNC(=O)Cc1cccs1)NCc1c[nH]nn1 ZINC001577769168 1075339127 /nfs/dbraw/zinc/33/91/27/1075339127.db2.gz KTFJMSUJFREDIC-LLVKDONJSA-N 0 1 380.430 -1.292 20 0 GAADMN O=C(CC(=O)N[C@H](CO)CNC(=O)Cc1cccs1)NCc1c[nH]nn1 ZINC001577769169 1075339108 /nfs/dbraw/zinc/33/91/08/1075339108.db2.gz KTFJMSUJFREDIC-NSHDSACASA-N 0 1 380.430 -1.292 20 0 GAADMN O=C(CC(=O)N1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1)NCc1c[nH]nn1 ZINC001577769170 1075339064 /nfs/dbraw/zinc/33/90/64/1075339064.db2.gz KTOYVQXFLOBSFN-NEPJUHHUSA-N 0 1 379.352 -1.720 20 0 GAADMN O=C(CC(=O)NCC1CC(NC(=O)Cn2ncnn2)C1)NCc1c[nH]nn1 ZINC001577769172 1075338984 /nfs/dbraw/zinc/33/89/84/1075338984.db2.gz KVMKWJSZFFBRIJ-UHFFFAOYSA-N 0 1 376.381 -2.491 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1)NCc1c[nH]nn1 ZINC001577769173 1075339136 /nfs/dbraw/zinc/33/91/36/1075339136.db2.gz KWHLMHSXPYTHMC-CHWSQXEVSA-N 0 1 376.373 -1.665 20 0 GAADMN O=C(CC(=O)NC1(CNC(=O)[C@@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577769180 1075339035 /nfs/dbraw/zinc/33/90/35/1075339035.db2.gz KZROFOCMTBNBAD-LLVKDONJSA-N 0 1 377.405 -1.898 20 0 GAADMN O=C(CC(=O)NC1(CNC(=O)[C@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577769185 1075339192 /nfs/dbraw/zinc/33/91/92/1075339192.db2.gz KZROFOCMTBNBAD-NSHDSACASA-N 0 1 377.405 -1.898 20 0 GAADMN O=C(CC(=O)N[C@@H](CO)CNC(=O)C1(F)CCOCC1)NCc1c[nH]nn1 ZINC001577769224 1075339146 /nfs/dbraw/zinc/33/91/46/1075339146.db2.gz LSCRDIZFGNWHAD-LLVKDONJSA-N 0 1 386.384 -2.077 20 0 GAADMN O=C(CC(=O)N[C@H](CO)CNC(=O)C1(F)CCOCC1)NCc1c[nH]nn1 ZINC001577769227 1075339001 /nfs/dbraw/zinc/33/90/01/1075339001.db2.gz LSCRDIZFGNWHAD-NSHDSACASA-N 0 1 386.384 -2.077 20 0 GAADMN O=C(CC(=O)NCC1CCN(C(=O)Cc2nnc[nH]2)CC1)NCc1c[nH]nn1 ZINC001577769253 1075339174 /nfs/dbraw/zinc/33/91/74/1075339174.db2.gz MCIGDGVJWFKAHG-UHFFFAOYSA-N 0 1 389.420 -1.473 20 0 GAADMN O=C(CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1)NCc1c[nH]nn1 ZINC001577769254 1075339204 /nfs/dbraw/zinc/33/92/04/1075339204.db2.gz MCNHAGCIYXIRHX-CHWSQXEVSA-N 0 1 380.405 -1.666 20 0 GAADMN O=C(CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1)NCc1c[nH]nn1 ZINC001577769255 1075339183 /nfs/dbraw/zinc/33/91/83/1075339183.db2.gz MCNHAGCIYXIRHX-OLZOCXBDSA-N 0 1 380.405 -1.666 20 0 GAADMN O=C(CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1)NCc1c[nH]nn1 ZINC001577769256 1075339458 /nfs/dbraw/zinc/33/94/58/1075339458.db2.gz MCNHAGCIYXIRHX-QWHCGFSZSA-N 0 1 380.405 -1.666 20 0 GAADMN O=C(CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1)NCc1c[nH]nn1 ZINC001577769257 1075339339 /nfs/dbraw/zinc/33/93/39/1075339339.db2.gz MCNHAGCIYXIRHX-STQMWFEESA-N 0 1 380.405 -1.666 20 0 GAADMN O=C(CC(=O)N1CCOC[C@H]1CNC(=O)c1ncccn1)NCc1c[nH]nn1 ZINC001577769267 1075339470 /nfs/dbraw/zinc/33/94/70/1075339470.db2.gz MELSXDIJEAVHHX-GFCCVEGCSA-N 0 1 388.388 -1.742 20 0 GAADMN O=C(CC(=O)N1CCOC[C@@H]1CNC(=O)c1ncccn1)NCc1c[nH]nn1 ZINC001577769268 1075339450 /nfs/dbraw/zinc/33/94/50/1075339450.db2.gz MELSXDIJEAVHHX-LBPRGKRZSA-N 0 1 388.388 -1.742 20 0 GAADMN O=C(CC(=O)N1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1)NCc1c[nH]nn1 ZINC001577769270 1075339370 /nfs/dbraw/zinc/33/93/70/1075339370.db2.gz MESQXPDZEKPWAW-DGCLKSJQSA-N 0 1 380.405 -1.666 20 0 GAADMN O=C(CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1)NCc1c[nH]nn1 ZINC001577769272 1075339379 /nfs/dbraw/zinc/33/93/79/1075339379.db2.gz MESQXPDZEKPWAW-YPMHNXCESA-N 0 1 380.405 -1.666 20 0 GAADMN O=C(CC(=O)NCC1(NC(=O)Cn2ncnn2)CCCC1)NCc1c[nH]nn1 ZINC001577769280 1075339439 /nfs/dbraw/zinc/33/94/39/1075339439.db2.gz MKFQLKZOTXXXFR-UHFFFAOYSA-N 0 1 390.408 -1.957 20 0 GAADMN O=C(CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769292 1075339489 /nfs/dbraw/zinc/33/94/89/1075339489.db2.gz MSCXWNSOGDODHT-CMPLNLGQSA-N 0 1 377.405 -1.803 20 0 GAADMN O=C(CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769297 1075339422 /nfs/dbraw/zinc/33/94/22/1075339422.db2.gz MSCXWNSOGDODHT-ZYHUDNBSSA-N 0 1 377.405 -1.803 20 0 GAADMN O=C(CC(=O)N[C@@H](CO)CNC(=O)CC1CCOCC1)NCc1c[nH]nn1 ZINC001577769306 1075339319 /nfs/dbraw/zinc/33/93/19/1075339319.db2.gz MWCXWYHDXLAXBH-CYBMUJFWSA-N 0 1 382.421 -1.779 20 0 GAADMN O=C(CC(=O)N[C@H](CO)CNC(=O)CC1CCOCC1)NCc1c[nH]nn1 ZINC001577769307 1075339511 /nfs/dbraw/zinc/33/95/11/1075339511.db2.gz MWCXWYHDXLAXBH-ZDUSSCGKSA-N 0 1 382.421 -1.779 20 0 GAADMN O=C(CO[C@@H]1CCOC1)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577769312 1075339357 /nfs/dbraw/zinc/33/93/57/1075339357.db2.gz MYOHGFCXBUHOGU-JHJVBQTASA-N 0 1 396.404 -2.696 20 0 GAADMN O=C(CO[C@H]1CCOC1)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577769315 1075339499 /nfs/dbraw/zinc/33/94/99/1075339499.db2.gz MYOHGFCXBUHOGU-YNEHKIRRSA-N 0 1 396.404 -2.696 20 0 GAADMN O=C(CC(=O)NC1(CNC(=O)c2cnn3cc[nH]c23)CC1)NCc1c[nH]nn1 ZINC001577769329 1075339483 /nfs/dbraw/zinc/33/94/83/1075339483.db2.gz NCBUEQHPWJEWOR-UHFFFAOYSA-N 0 1 385.388 -1.134 20 0 GAADMN O=C(CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2ncnn2)C1)NCc1c[nH]nn1 ZINC001577769336 1075339406 /nfs/dbraw/zinc/33/94/06/1075339406.db2.gz NCQLYYFZWMUEEC-WDEREUQCSA-N 0 1 390.408 -2.101 20 0 GAADMN O=C(CC(=O)N[C@@H](CO)CNC(=O)c1conc1C1CC1)NCc1c[nH]nn1 ZINC001577769344 1075339414 /nfs/dbraw/zinc/33/94/14/1075339414.db2.gz NKJCCJGKRMITMD-LLVKDONJSA-N 0 1 391.388 -1.417 20 0 GAADMN O=C(CC(=O)N[C@H](CO)CNC(=O)c1conc1C1CC1)NCc1c[nH]nn1 ZINC001577769346 1075339399 /nfs/dbraw/zinc/33/93/99/1075339399.db2.gz NKJCCJGKRMITMD-NSHDSACASA-N 0 1 391.388 -1.417 20 0 GAADMN O=C(CC(=O)N1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](O)C1)NCc1c[nH]nn1 ZINC001577769353 1075339388 /nfs/dbraw/zinc/33/93/88/1075339388.db2.gz NMNKOBFJUQKYFP-OAGGEKHMSA-N 0 1 398.423 -1.161 20 0 GAADMN O=C(CC(=O)N1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](O)C1)NCc1c[nH]nn1 ZINC001577769356 1075339327 /nfs/dbraw/zinc/33/93/27/1075339327.db2.gz NMNKOBFJUQKYFP-XHSDSOJGSA-N 0 1 398.423 -1.161 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)NCc1c[nH]nn1 ZINC001577769357 1075339430 /nfs/dbraw/zinc/33/94/30/1075339430.db2.gz NNJPBPOUTNQILK-CAFXUDQZSA-N 0 1 376.417 -1.455 20 0 GAADMN O=C(CC(=O)N1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@@H](O)C1)NCc1c[nH]nn1 ZINC001577769366 1075339875 /nfs/dbraw/zinc/33/98/75/1075339875.db2.gz OBNDBABITDACBT-ZJUUUORDSA-N 0 1 386.359 -1.456 20 0 GAADMN O=C(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577769405 1075339823 /nfs/dbraw/zinc/33/98/23/1075339823.db2.gz OLEQPILBLWUPRG-MBNYWOFBSA-N 0 1 376.417 -1.093 20 0 GAADMN O=C(CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577769406 1075339920 /nfs/dbraw/zinc/33/99/20/1075339920.db2.gz OLEQPILBLWUPRG-YRGRVCCFSA-N 0 1 376.417 -1.093 20 0 GAADMN O=C(CC(=O)N[C@H](CNC(=O)CN1CCCC1=O)C1CC1)NCc1c[nH]nn1 ZINC001577769442 1075339952 /nfs/dbraw/zinc/33/99/52/1075339952.db2.gz OTJGFXCLWVHWFF-CYBMUJFWSA-N 0 1 391.432 -1.556 20 0 GAADMN O=C(CC(=O)N[C@@H](CNC(=O)CN1CCCC1=O)C1CC1)NCc1c[nH]nn1 ZINC001577769444 1075339814 /nfs/dbraw/zinc/33/98/14/1075339814.db2.gz OTJGFXCLWVHWFF-ZDUSSCGKSA-N 0 1 391.432 -1.556 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1)NCc1c[nH]nn1 ZINC001577769453 1075339914 /nfs/dbraw/zinc/33/99/14/1075339914.db2.gz OYVLZMPXSPGEQJ-VXGBXAGGSA-N 0 1 391.363 -1.653 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1)NCc1c[nH]nn1 ZINC001577769477 1075339805 /nfs/dbraw/zinc/33/98/05/1075339805.db2.gz PQQJJIVAYVOYLJ-ZIAGYGMSSA-N 0 1 387.400 -1.863 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1)NCc1c[nH]nn1 ZINC001577769479 1075339855 /nfs/dbraw/zinc/33/98/55/1075339855.db2.gz PRUFABYGUMZFMD-CHWSQXEVSA-N 0 1 391.363 -1.653 20 0 GAADMN O=C(CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2cncn2)C1)NCc1c[nH]nn1 ZINC001577769493 1075339895 /nfs/dbraw/zinc/33/98/95/1075339895.db2.gz PXKONQSEQISTLT-NWDGAFQWSA-N 0 1 389.420 -1.496 20 0 GAADMN O=C(CC(=O)N1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577769507 1075339927 /nfs/dbraw/zinc/33/99/27/1075339927.db2.gz QEAFZWUQWXMBIZ-GXTWGEPZSA-N 0 1 386.416 -1.233 20 0 GAADMN O=C(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1O)NCc1c[nH]nn1 ZINC001577769509 1075339835 /nfs/dbraw/zinc/33/98/35/1075339835.db2.gz QFGRXTWDVQWJAI-HBYGRHMLSA-N 0 1 385.384 -1.202 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1)NCc1c[nH]nn1 ZINC001577769522 1075339940 /nfs/dbraw/zinc/33/99/40/1075339940.db2.gz QJOKFIQUZSAHRW-GHMZBOCLSA-N 0 1 395.807 -1.206 20 0 GAADMN O=C(CC[C@H]1CCCO1)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@@H]1O ZINC001577769536 1075339904 /nfs/dbraw/zinc/33/99/04/1075339904.db2.gz QWSCSDFGHHJBBJ-MCIONIFRSA-N 0 1 394.432 -1.542 20 0 GAADMN O=C(CC[C@@H]1CCCO1)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@@H]1O ZINC001577769537 1075339948 /nfs/dbraw/zinc/33/99/48/1075339948.db2.gz QWSCSDFGHHJBBJ-MJBXVCDLSA-N 0 1 394.432 -1.542 20 0 GAADMN O=C(CC(=O)N1C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577769567 1075339865 /nfs/dbraw/zinc/33/98/65/1075339865.db2.gz RNFXUPNYIRSGAR-SMDDNHRTSA-N 0 1 386.416 -1.164 20 0 GAADMN O=C(CC(=O)NC1CCN(C(=O)CNC(=O)C2CC2)CC1)NCc1c[nH]nn1 ZINC001577769635 1075339935 /nfs/dbraw/zinc/33/99/35/1075339935.db2.gz RVECMSYVNCQZLN-UHFFFAOYSA-N 0 1 391.432 -1.556 20 0 GAADMN O=C(CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1)NCc1c[nH]nn1 ZINC001577769643 1075339881 /nfs/dbraw/zinc/33/98/81/1075339881.db2.gz SADJLOGGTRETOQ-AAEUAGOBSA-N 0 1 380.405 -1.809 20 0 GAADMN O=C(CC(=O)NC[C@H]1CCN(C(=O)[C@H]2COCCO2)C1)NCc1c[nH]nn1 ZINC001577769646 1075339944 /nfs/dbraw/zinc/33/99/44/1075339944.db2.gz SADJLOGGTRETOQ-DGCLKSJQSA-N 0 1 380.405 -1.809 20 0 GAADMN O=C(CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1)NCc1c[nH]nn1 ZINC001577769647 1075340313 /nfs/dbraw/zinc/34/03/13/1075340313.db2.gz SADJLOGGTRETOQ-WCQYABFASA-N 0 1 380.405 -1.809 20 0 GAADMN O=C(CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1)NCc1c[nH]nn1 ZINC001577769649 1075340169 /nfs/dbraw/zinc/34/01/69/1075340169.db2.gz SADJLOGGTRETOQ-YPMHNXCESA-N 0 1 380.405 -1.809 20 0 GAADMN O=C(CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577769652 1075340337 /nfs/dbraw/zinc/34/03/37/1075340337.db2.gz SARBNSMOYYBFHU-NEPJUHHUSA-N 0 1 391.432 -1.556 20 0 GAADMN O=C(CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577769653 1075340282 /nfs/dbraw/zinc/34/02/82/1075340282.db2.gz SARBNSMOYYBFHU-NWDGAFQWSA-N 0 1 391.432 -1.556 20 0 GAADMN O=C(CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577769655 1075340220 /nfs/dbraw/zinc/34/02/20/1075340220.db2.gz SARBNSMOYYBFHU-RYUDHWBXSA-N 0 1 391.432 -1.556 20 0 GAADMN O=C(CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577769657 1075340151 /nfs/dbraw/zinc/34/01/51/1075340151.db2.gz SARBNSMOYYBFHU-VXGBXAGGSA-N 0 1 391.432 -1.556 20 0 GAADMN O=C(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1COC(=O)C1)NCc1c[nH]nn1 ZINC001577769686 1075340162 /nfs/dbraw/zinc/34/01/62/1075340162.db2.gz SJMMOKQJDGBXRR-DRZSPHRISA-N 0 1 390.400 -1.424 20 0 GAADMN O=C(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1COC(=O)C1)NCc1c[nH]nn1 ZINC001577769687 1075340127 /nfs/dbraw/zinc/34/01/27/1075340127.db2.gz SJMMOKQJDGBXRR-WXHSDQCUSA-N 0 1 390.400 -1.424 20 0 GAADMN O=C(CC(=O)N[C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1)NCc1c[nH]nn1 ZINC001577769694 1075340238 /nfs/dbraw/zinc/34/02/38/1075340238.db2.gz SSXJMSIKECTENA-GFCCVEGCSA-N 0 1 377.361 -2.649 20 0 GAADMN O=C(CC(=O)N[C@H](CO)CNC(=O)c1cc[n+]([O-])cc1)NCc1c[nH]nn1 ZINC001577769696 1075340255 /nfs/dbraw/zinc/34/02/55/1075340255.db2.gz SSXJMSIKECTENA-LBPRGKRZSA-N 0 1 377.361 -2.649 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(F)F)C1)NCc1c[nH]nn1 ZINC001577769699 1075340108 /nfs/dbraw/zinc/34/01/08/1075340108.db2.gz SUHPMQHCGITMGN-GMTAPVOTSA-N 0 1 386.359 -1.456 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1)NCc1c[nH]nn1 ZINC001577769701 1075340116 /nfs/dbraw/zinc/34/01/16/1075340116.db2.gz SUHPMQHCGITMGN-HBNTYKKESA-N 0 1 386.359 -1.456 20 0 GAADMN O=C(CCc1ccoc1)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@H]1O ZINC001577769702 1075340180 /nfs/dbraw/zinc/34/01/80/1075340180.db2.gz SWWJFYAMTXIWFI-ZIAGYGMSSA-N 0 1 390.400 -1.275 20 0 GAADMN O=C(CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769706 1075340192 /nfs/dbraw/zinc/34/01/92/1075340192.db2.gz SZODFMIDJFJXLF-CMPLNLGQSA-N 0 1 377.405 -1.946 20 0 GAADMN O=C(CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769708 1075340146 /nfs/dbraw/zinc/34/01/46/1075340146.db2.gz SZODFMIDJFJXLF-ZYHUDNBSSA-N 0 1 377.405 -1.946 20 0 GAADMN O=C(CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769733 1075340136 /nfs/dbraw/zinc/34/01/36/1075340136.db2.gz UJUAJJPENJRNJN-HOSYDEDBSA-N 0 1 392.420 -2.107 20 0 GAADMN O=C(CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769734 1075340097 /nfs/dbraw/zinc/34/00/97/1075340097.db2.gz UJUAJJPENJRNJN-UMNHJUIQSA-N 0 1 392.420 -2.107 20 0 GAADMN O=C(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)NCc1c[nH]nn1 ZINC001577769736 1075340205 /nfs/dbraw/zinc/34/02/05/1075340205.db2.gz USWDMOJYPNWMAT-RSQPEXBXSA-N 0 1 375.389 -2.337 20 0 GAADMN O=C(CC(=O)NCc1c[nH]nn1)NCCN(CCO)C(=O)c1cc[n+]([O-])cc1 ZINC001577769743 1075340358 /nfs/dbraw/zinc/34/03/58/1075340358.db2.gz UYTAGBWUJSQVKX-UHFFFAOYSA-N 0 1 391.388 -2.305 20 0 GAADMN O=C(CC(=O)N1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](O)C1)NCc1c[nH]nn1 ZINC001577769744 1075340714 /nfs/dbraw/zinc/34/07/14/1075340714.db2.gz UYWIOGLAHYDHNS-NEPJUHHUSA-N 0 1 391.363 -1.653 20 0 GAADMN O=C(CC(=O)N[C@@H](CO)CNC(=O)c1cc(C2CC2)no1)NCc1c[nH]nn1 ZINC001577769753 1075340724 /nfs/dbraw/zinc/34/07/24/1075340724.db2.gz VCHWOTUTDQVWEJ-LLVKDONJSA-N 0 1 391.388 -1.417 20 0 GAADMN O=C(CC(=O)N[C@H](CO)CNC(=O)c1cc(C2CC2)no1)NCc1c[nH]nn1 ZINC001577769754 1075340647 /nfs/dbraw/zinc/34/06/47/1075340647.db2.gz VCHWOTUTDQVWEJ-NSHDSACASA-N 0 1 391.388 -1.417 20 0 GAADMN O=C(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2)NCc1c[nH]nn1 ZINC001577769756 1075340677 /nfs/dbraw/zinc/34/06/77/1075340677.db2.gz VEAPWPGLZOCSEH-KXNHARMFSA-N 0 1 391.388 -1.833 20 0 GAADMN O=C(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2)NCc1c[nH]nn1 ZINC001577769757 1075340587 /nfs/dbraw/zinc/34/05/87/1075340587.db2.gz VEAPWPGLZOCSEH-RHYQMDGZSA-N 0 1 391.388 -1.833 20 0 GAADMN O=C(CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cccn1)NCc1c[nH]nn1 ZINC001577769767 1075340580 /nfs/dbraw/zinc/34/05/80/1075340580.db2.gz VSMWLLQNUJRMGR-CYBMUJFWSA-N 0 1 390.404 -1.949 20 0 GAADMN O=C(CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cccn1)NCc1c[nH]nn1 ZINC001577769768 1075340573 /nfs/dbraw/zinc/34/05/73/1075340573.db2.gz VSMWLLQNUJRMGR-ZDUSSCGKSA-N 0 1 390.404 -1.949 20 0 GAADMN O=C(CC(=O)N1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NCc1c[nH]nn1 ZINC001577769877 1075340735 /nfs/dbraw/zinc/34/07/35/1075340735.db2.gz VVXUZWOZLRUFKO-KBNOKHGBSA-N 0 1 376.417 -1.189 20 0 GAADMN O=C(CC(=O)NCC1CC(NC(=O)[C@@H]2CCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769878 1075340594 /nfs/dbraw/zinc/34/05/94/1075340594.db2.gz VWCKWYLRTYYRIL-CBINBANVSA-N 0 1 377.405 -1.899 20 0 GAADMN O=C(CC(=O)N1C[C@@H]2CCN(C(=O)c3ccnnc3)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577769890 1075340761 /nfs/dbraw/zinc/34/07/61/1075340761.db2.gz WFPUXRJHMNCHSG-GXTWGEPZSA-N 0 1 384.400 -1.026 20 0 GAADMN O=C(CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577769902 1075340691 /nfs/dbraw/zinc/34/06/91/1075340691.db2.gz WSSJCQVDHZUOON-WCFLWFBJSA-N 0 1 389.416 -1.851 20 0 GAADMN O=C(CC(=O)NC[C@H]1CCCN1C(=O)C(=O)NCC1CC1)NCc1c[nH]nn1 ZINC001577769917 1075340655 /nfs/dbraw/zinc/34/06/55/1075340655.db2.gz WZIJFIGOEGURKL-CYBMUJFWSA-N 0 1 391.432 -1.556 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769937 1075340701 /nfs/dbraw/zinc/34/07/01/1075340701.db2.gz XMKBMHDFAAAVSA-MVWJERBFSA-N 0 1 393.404 -2.832 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1)NCc1c[nH]nn1 ZINC001577769938 1075340666 /nfs/dbraw/zinc/34/06/66/1075340666.db2.gz XMKBMHDFAAAVSA-YUSALJHKSA-N 0 1 393.404 -2.832 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCC3)C1)NCc1c[nH]nn1 ZINC001577769939 1075340602 /nfs/dbraw/zinc/34/06/02/1075340602.db2.gz XOGHVGGBGNKNJG-JHJVBQTASA-N 0 1 376.417 -1.311 20 0 GAADMN O=C(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCC3)C1)NCc1c[nH]nn1 ZINC001577769940 1075340638 /nfs/dbraw/zinc/34/06/38/1075340638.db2.gz XOGHVGGBGNKNJG-YNEHKIRRSA-N 0 1 376.417 -1.311 20 0 GAADMN O=C(CC(=O)N[C@@H](CO)CNC(=O)c1occc1Cl)NCc1c[nH]nn1 ZINC001577769956 1075340610 /nfs/dbraw/zinc/34/06/10/1075340610.db2.gz XXBNTHMNQBNTQK-SECBINFHSA-N 0 1 384.780 -1.036 20 0 GAADMN O=C(CC(=O)N[C@H](CO)CNC(=O)c1occc1Cl)NCc1c[nH]nn1 ZINC001577769957 1075340749 /nfs/dbraw/zinc/34/07/49/1075340749.db2.gz XXBNTHMNQBNTQK-VIFPVBQESA-N 0 1 384.780 -1.036 20 0 GAADMN O=C(CC(=O)NCc1c[nH]nn1)NCCN(CCO)C(=O)[C@]12C[C@H]1COC2 ZINC001577770067 1075340619 /nfs/dbraw/zinc/34/06/19/1075340619.db2.gz YTVXFINZCMKWRK-ZBEGNZNMSA-N 0 1 380.405 -2.215 20 0 GAADMN O=C(COC1CCCC1)N[C@@H]1CN(C(=O)CC(=O)NCc2c[nH]nn2)C[C@@H]1O ZINC001577770074 1075341132 /nfs/dbraw/zinc/34/11/32/1075341132.db2.gz YXNWTJZMBVMDPQ-KGLIPLIRSA-N 0 1 394.432 -1.542 20 0 GAADMN O=C(CC(=O)NCC1CCN(C(=O)c2cn[nH]n2)CC1)NCc1c[nH]nn1 ZINC001577770079 1075341100 /nfs/dbraw/zinc/34/11/00/1075341100.db2.gz ZBJXFWWKCIXGQF-UHFFFAOYSA-N 0 1 375.393 -1.402 20 0 GAADMN O=C(CC(=O)NC1(CNC(=O)c2cocn2)CCOCC1)NCc1c[nH]nn1 ZINC001577770084 1075341038 /nfs/dbraw/zinc/34/10/38/1075341038.db2.gz ZDRHJJFQYHPBRP-UHFFFAOYSA-N 0 1 391.388 -1.106 20 0 GAADMN CCCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 ZINC001577771666 1075341010 /nfs/dbraw/zinc/34/10/10/1075341010.db2.gz ZQQOKIKJSPGUGR-KOLCDFICSA-N 0 1 385.392 -1.362 20 0 GAADMN O=C(CC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1)NCc1c[nH]nn1 ZINC001577772029 1075341077 /nfs/dbraw/zinc/34/10/77/1075341077.db2.gz HFIMBHNVBIZUER-AOOOYVTPSA-N 0 1 388.388 -1.781 20 0 GAADMN O=C(CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577772281 1075341069 /nfs/dbraw/zinc/34/10/69/1075341069.db2.gz KZUVLVLVJDGLEK-GARJFASQSA-N 0 1 377.405 -1.899 20 0 GAADMN O=C(CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1)NCc1c[nH]nn1 ZINC001577772283 1075341085 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O=C(CCCc1c[nH]nn1)NCC1(O)CN(CC(=O)Nc2nncs2)C1 ZINC001577854702 1075347857 /nfs/dbraw/zinc/34/78/57/1075347857.db2.gz MGSJBXPONDJZCN-UHFFFAOYSA-N 0 1 380.434 -1.220 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCC1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001577854711 1075347995 /nfs/dbraw/zinc/34/79/95/1075347995.db2.gz MNCQEMPXWFCVNP-UHFFFAOYSA-N 0 1 377.449 -1.430 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCC1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001577854711 1075347992 /nfs/dbraw/zinc/34/79/92/1075347992.db2.gz MNCQEMPXWFCVNP-UHFFFAOYSA-N 0 1 377.449 -1.430 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCC1(O)CN(C(=O)c2ccn3nnnc3c2)C1 ZINC001577854730 1075347961 /nfs/dbraw/zinc/34/79/61/1075347961.db2.gz NFVDFXGOEMRHDC-UHFFFAOYSA-N 0 1 385.388 -1.432 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCC1(O)CN(C(=O)c2ccn3nnnc3c2)C1 ZINC001577854730 1075347958 /nfs/dbraw/zinc/34/79/58/1075347958.db2.gz NFVDFXGOEMRHDC-UHFFFAOYSA-N 0 1 385.388 -1.432 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCC1(O)CN(Cc2nnc3n2CCOC3)C1 ZINC001577854936 1075347715 /nfs/dbraw/zinc/34/77/15/1075347715.db2.gz RNVHOQHGAWWBLK-UHFFFAOYSA-N 0 1 376.421 -1.388 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCC1(O)CN(Cc2nnc3n2CCOC3)C1 ZINC001577854936 1075347709 /nfs/dbraw/zinc/34/77/09/1075347709.db2.gz RNVHOQHGAWWBLK-UHFFFAOYSA-N 0 1 376.421 -1.388 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCC1(O)CN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001577854979 1075347830 /nfs/dbraw/zinc/34/78/30/1075347830.db2.gz SNBRYMWRDSEZLH-UHFFFAOYSA-N 0 1 391.388 -2.221 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCC1(O)CN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001577854979 1075347824 /nfs/dbraw/zinc/34/78/24/1075347824.db2.gz SNBRYMWRDSEZLH-UHFFFAOYSA-N 0 1 391.388 -2.221 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCCO1 ZINC001577856832 1075347889 /nfs/dbraw/zinc/34/78/89/1075347889.db2.gz AQNQSSWONIKFJL-KBPBESRZSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCCO1 ZINC001577856832 1075347883 /nfs/dbraw/zinc/34/78/83/1075347883.db2.gz AQNQSSWONIKFJL-KBPBESRZSA-N 0 1 378.433 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ZINC001577856835 1075347871 /nfs/dbraw/zinc/34/78/71/1075347871.db2.gz AQNQSSWONIKFJL-ZIAGYGMSSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001577856872 1075347949 /nfs/dbraw/zinc/34/79/49/1075347949.db2.gz CHZITBZFZCLTPJ-AWEZNQCLSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001577856872 1075347944 /nfs/dbraw/zinc/34/79/44/1075347944.db2.gz CHZITBZFZCLTPJ-AWEZNQCLSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001577856873 1075347915 /nfs/dbraw/zinc/34/79/15/1075347915.db2.gz CHZITBZFZCLTPJ-CQSZACIVSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001577856873 1075347910 /nfs/dbraw/zinc/34/79/10/1075347910.db2.gz CHZITBZFZCLTPJ-CQSZACIVSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001577857022 1075347938 /nfs/dbraw/zinc/34/79/38/1075347938.db2.gz FKAJVUCEGDOKSI-AAEUAGOBSA-N 0 1 384.462 -1.216 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001577857022 1075347935 /nfs/dbraw/zinc/34/79/35/1075347935.db2.gz FKAJVUCEGDOKSI-AAEUAGOBSA-N 0 1 384.462 -1.216 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001577857025 1075347696 /nfs/dbraw/zinc/34/76/96/1075347696.db2.gz FKAJVUCEGDOKSI-DGCLKSJQSA-N 0 1 384.462 -1.216 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001577857025 1075347690 /nfs/dbraw/zinc/34/76/90/1075347690.db2.gz FKAJVUCEGDOKSI-DGCLKSJQSA-N 0 1 384.462 -1.216 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001577857026 1075347677 /nfs/dbraw/zinc/34/76/77/1075347677.db2.gz FKAJVUCEGDOKSI-WCQYABFASA-N 0 1 384.462 -1.216 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001577857026 1075347671 /nfs/dbraw/zinc/34/76/71/1075347671.db2.gz FKAJVUCEGDOKSI-WCQYABFASA-N 0 1 384.462 -1.216 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001577857027 1075347739 /nfs/dbraw/zinc/34/77/39/1075347739.db2.gz FKAJVUCEGDOKSI-YPMHNXCESA-N 0 1 384.462 -1.216 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001577857027 1075347733 /nfs/dbraw/zinc/34/77/33/1075347733.db2.gz FKAJVUCEGDOKSI-YPMHNXCESA-N 0 1 384.462 -1.216 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1COCCN1C(=O)C[C@@H]1CCNC1=O ZINC001577857366 1075347813 /nfs/dbraw/zinc/34/78/13/1075347813.db2.gz KLHBLRLIQFXTJM-GXTWGEPZSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1COCCN1C(=O)C[C@@H]1CCNC1=O ZINC001577857366 1075347807 /nfs/dbraw/zinc/34/78/07/1075347807.db2.gz KLHBLRLIQFXTJM-GXTWGEPZSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1COCCN1C(=O)C[C@@H]1CCNC1=O ZINC001577857367 1075347927 /nfs/dbraw/zinc/34/79/27/1075347927.db2.gz KLHBLRLIQFXTJM-JSGCOSHPSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1COCCN1C(=O)C[C@@H]1CCNC1=O ZINC001577857367 1075347921 /nfs/dbraw/zinc/34/79/21/1075347921.db2.gz KLHBLRLIQFXTJM-JSGCOSHPSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1COCCN1C(=O)C[C@H]1CCNC1=O ZINC001577857368 1075348184 /nfs/dbraw/zinc/34/81/84/1075348184.db2.gz KLHBLRLIQFXTJM-OCCSQVGLSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1COCCN1C(=O)C[C@H]1CCNC1=O ZINC001577857368 1075348170 /nfs/dbraw/zinc/34/81/70/1075348170.db2.gz KLHBLRLIQFXTJM-OCCSQVGLSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1COCCN1C(=O)C[C@H]1CCNC1=O ZINC001577857369 1075348207 /nfs/dbraw/zinc/34/82/07/1075348207.db2.gz KLHBLRLIQFXTJM-TZMCWYRMSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1COCCN1C(=O)C[C@H]1CCNC1=O ZINC001577857369 1075348205 /nfs/dbraw/zinc/34/82/05/1075348205.db2.gz KLHBLRLIQFXTJM-TZMCWYRMSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1CCCN1CC(=O)N1CCNC(=O)C1 ZINC001577857413 1075348165 /nfs/dbraw/zinc/34/81/65/1075348165.db2.gz LGXKUMSAGLNRTA-AWEZNQCLSA-N 0 1 377.449 -1.334 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1CCCN1CC(=O)N1CCNC(=O)C1 ZINC001577857413 1075348161 /nfs/dbraw/zinc/34/81/61/1075348161.db2.gz LGXKUMSAGLNRTA-AWEZNQCLSA-N 0 1 377.449 -1.334 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CCCN1CC(=O)N1CCNC(=O)C1 ZINC001577857414 1075348234 /nfs/dbraw/zinc/34/82/34/1075348234.db2.gz LGXKUMSAGLNRTA-CQSZACIVSA-N 0 1 377.449 -1.334 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1CCCN1CC(=O)N1CCNC(=O)C1 ZINC001577857414 1075348226 /nfs/dbraw/zinc/34/82/26/1075348226.db2.gz LGXKUMSAGLNRTA-CQSZACIVSA-N 0 1 377.449 -1.334 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC001577857654 1075348342 /nfs/dbraw/zinc/34/83/42/1075348342.db2.gz OLPZJQYRQATITG-HNNXBMFYSA-N 0 1 380.449 -1.197 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC001577857654 1075348336 /nfs/dbraw/zinc/34/83/36/1075348336.db2.gz OLPZJQYRQATITG-HNNXBMFYSA-N 0 1 380.449 -1.197 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC001577857655 1075348321 /nfs/dbraw/zinc/34/83/21/1075348321.db2.gz OLPZJQYRQATITG-OAHLLOKOSA-N 0 1 380.449 -1.197 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1CN(CC(=O)N2CCOCC2)CCO1 ZINC001577857655 1075348318 /nfs/dbraw/zinc/34/83/18/1075348318.db2.gz OLPZJQYRQATITG-OAHLLOKOSA-N 0 1 380.449 -1.197 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001577857839 1075348331 /nfs/dbraw/zinc/34/83/31/1075348331.db2.gz QUTCMLOKOUKRCZ-GXTWGEPZSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001577857839 1075348328 /nfs/dbraw/zinc/34/83/28/1075348328.db2.gz QUTCMLOKOUKRCZ-GXTWGEPZSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001577857840 1075348413 /nfs/dbraw/zinc/34/84/13/1075348413.db2.gz QUTCMLOKOUKRCZ-JSGCOSHPSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001577857840 1075348409 /nfs/dbraw/zinc/34/84/09/1075348409.db2.gz QUTCMLOKOUKRCZ-JSGCOSHPSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 ZINC001577857841 1075348489 /nfs/dbraw/zinc/34/84/89/1075348489.db2.gz QUTCMLOKOUKRCZ-OCCSQVGLSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 ZINC001577857841 1075348481 /nfs/dbraw/zinc/34/84/81/1075348481.db2.gz QUTCMLOKOUKRCZ-OCCSQVGLSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 ZINC001577857842 1075348210 /nfs/dbraw/zinc/34/82/10/1075348210.db2.gz QUTCMLOKOUKRCZ-TZMCWYRMSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 ZINC001577857842 1075348209 /nfs/dbraw/zinc/34/82/09/1075348209.db2.gz QUTCMLOKOUKRCZ-TZMCWYRMSA-N 0 1 378.433 -1.003 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@H]1CCCN1C(=O)Cc1[nH]c(O)nc1O ZINC001577857986 1075348307 /nfs/dbraw/zinc/34/83/07/1075348307.db2.gz UODNGYOWSZTJAV-NEPJUHHUSA-N 0 1 377.405 -1.167 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC[C@@H]1CCCN1C(=O)Cc1[nH]c(O)nc1O ZINC001577857987 1075348301 /nfs/dbraw/zinc/34/83/01/1075348301.db2.gz UODNGYOWSZTJAV-RYUDHWBXSA-N 0 1 377.405 -1.167 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCC1CN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001577858338 1075348219 /nfs/dbraw/zinc/34/82/19/1075348219.db2.gz ZRAGFLPIVOKSJH-UHFFFAOYSA-N 0 1 377.405 -1.356 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCC1CN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001577858338 1075348216 /nfs/dbraw/zinc/34/82/16/1075348216.db2.gz ZRAGFLPIVOKSJH-UHFFFAOYSA-N 0 1 377.405 -1.356 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN(CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001577859659 1075348423 /nfs/dbraw/zinc/34/84/23/1075348423.db2.gz BWSYZWUAHRZQDO-NSHDSACASA-N 0 1 381.393 -2.337 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCCN(CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001577859659 1075348420 /nfs/dbraw/zinc/34/84/20/1075348420.db2.gz BWSYZWUAHRZQDO-NSHDSACASA-N 0 1 381.393 -2.337 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN(C(=O)Cc1[nH]c(O)nc1O)C1CC1 ZINC001577860192 1075348978 /nfs/dbraw/zinc/34/89/78/1075348978.db2.gz MHLCHQNYBAVXIK-LBPRGKRZSA-N 0 1 377.405 -1.167 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN(C(=O)CN1CC(=O)NC1=O)C1CC1 ZINC001577860629 1075348782 /nfs/dbraw/zinc/34/87/82/1075348782.db2.gz SUCUVRHVJMSDCD-UHFFFAOYSA-N 0 1 377.405 -1.214 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCCN(C(=O)CN1CC(=O)NC1=O)C1CC1 ZINC001577860629 1075348779 /nfs/dbraw/zinc/34/87/79/1075348779.db2.gz SUCUVRHVJMSDCD-UHFFFAOYSA-N 0 1 377.405 -1.214 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001577861094 1075348971 /nfs/dbraw/zinc/34/89/71/1075348971.db2.gz ZJUAZIGSXVNBLG-CYBMUJFWSA-N 0 1 384.462 -1.074 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001577861094 1075348965 /nfs/dbraw/zinc/34/89/65/1075348965.db2.gz ZJUAZIGSXVNBLG-CYBMUJFWSA-N 0 1 384.462 -1.074 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001577861095 1075348908 /nfs/dbraw/zinc/34/89/08/1075348908.db2.gz ZJUAZIGSXVNBLG-ZDUSSCGKSA-N 0 1 384.462 -1.074 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001577861095 1075348904 /nfs/dbraw/zinc/34/89/04/1075348904.db2.gz ZJUAZIGSXVNBLG-ZDUSSCGKSA-N 0 1 384.462 -1.074 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001577863321 1075348797 /nfs/dbraw/zinc/34/87/97/1075348797.db2.gz CFUIPAFVPIZUFQ-CYBMUJFWSA-N 0 1 379.421 -1.504 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCCN1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001577863321 1075348796 /nfs/dbraw/zinc/34/87/96/1075348796.db2.gz CFUIPAFVPIZUFQ-CYBMUJFWSA-N 0 1 379.421 -1.504 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001577863323 1075348898 /nfs/dbraw/zinc/34/88/98/1075348898.db2.gz CFUIPAFVPIZUFQ-ZDUSSCGKSA-N 0 1 379.421 -1.504 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCCN1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001577863323 1075348896 /nfs/dbraw/zinc/34/88/96/1075348896.db2.gz CFUIPAFVPIZUFQ-ZDUSSCGKSA-N 0 1 379.421 -1.504 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN1CCN(c2nccn3nnnc23)CC1 ZINC001577863444 1075348825 /nfs/dbraw/zinc/34/88/25/1075348825.db2.gz DKOCZTZCLMQGNO-UHFFFAOYSA-N 0 1 385.436 -1.102 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCCN1CCN(c2nccn3nnnc23)CC1 ZINC001577863444 1075348822 /nfs/dbraw/zinc/34/88/22/1075348822.db2.gz DKOCZTZCLMQGNO-UHFFFAOYSA-N 0 1 385.436 -1.102 20 0 GAADMN O=C(CCCc1cnn[nH]1)NCCN1CCN(C(=O)Cn2ncnn2)CC1 ZINC001577863893 1075348803 /nfs/dbraw/zinc/34/88/03/1075348803.db2.gz NJKAOPMEIGFXFW-UHFFFAOYSA-N 0 1 376.425 -1.926 20 0 GAADMN O=C(CCCc1c[nH]nn1)NCCN1CCN(C(=O)Cn2ncnn2)CC1 ZINC001577863893 1075348801 /nfs/dbraw/zinc/34/88/01/1075348801.db2.gz NJKAOPMEIGFXFW-UHFFFAOYSA-N 0 1 376.425 -1.926 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CCN(C(=O)CCc2[nH]c(O)nc2O)C1 ZINC001577866660 1075348888 /nfs/dbraw/zinc/34/88/88/1075348888.db2.gz VYBKNOFXEVAWEH-NEPJUHHUSA-N 0 1 377.405 -1.167 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CCN(C(=O)CCc2[nH]c(O)nc2O)C1 ZINC001577866661 1075348882 /nfs/dbraw/zinc/34/88/82/1075348882.db2.gz VYBKNOFXEVAWEH-VXGBXAGGSA-N 0 1 377.405 -1.167 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1O ZINC001577868073 1075348957 /nfs/dbraw/zinc/34/89/57/1075348957.db2.gz DEKUAIXLNLMHLZ-CHWSQXEVSA-N 0 1 385.388 -1.433 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1O ZINC001577868073 1075348953 /nfs/dbraw/zinc/34/89/53/1075348953.db2.gz DEKUAIXLNLMHLZ-CHWSQXEVSA-N 0 1 385.388 -1.433 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1O ZINC001577868114 1075349345 /nfs/dbraw/zinc/34/93/45/1075349345.db2.gz GHRCZQSHQWEKOV-JHJVBQTASA-N 0 1 385.446 -1.608 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1O ZINC001577868114 1075349339 /nfs/dbraw/zinc/34/93/39/1075349339.db2.gz GHRCZQSHQWEKOV-JHJVBQTASA-N 0 1 385.446 -1.608 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1O ZINC001577868115 1075349632 /nfs/dbraw/zinc/34/96/32/1075349632.db2.gz GHRCZQSHQWEKOV-UPJWGTAASA-N 0 1 385.446 -1.608 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1O ZINC001577868115 1075349627 /nfs/dbraw/zinc/34/96/27/1075349627.db2.gz GHRCZQSHQWEKOV-UPJWGTAASA-N 0 1 385.446 -1.608 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@@H]1O ZINC001577868148 1075349311 /nfs/dbraw/zinc/34/93/11/1075349311.db2.gz HNIUCDHBASZCQI-KGLIPLIRSA-N 0 1 376.421 -1.113 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@@H]1O ZINC001577868148 1075349304 /nfs/dbraw/zinc/34/93/04/1075349304.db2.gz HNIUCDHBASZCQI-KGLIPLIRSA-N 0 1 376.421 -1.113 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1O ZINC001577868203 1075349279 /nfs/dbraw/zinc/34/92/79/1075349279.db2.gz JXIUQVGDYOVTED-CHWSQXEVSA-N 0 1 385.388 -1.433 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1O ZINC001577868203 1075349274 /nfs/dbraw/zinc/34/92/74/1075349274.db2.gz JXIUQVGDYOVTED-CHWSQXEVSA-N 0 1 385.388 -1.433 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@@H]1O ZINC001577868246 1075349656 /nfs/dbraw/zinc/34/96/56/1075349656.db2.gz LVUOTGDVOXKQLP-CABCVRRESA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@@H]1O ZINC001577868246 1075349654 /nfs/dbraw/zinc/34/96/54/1075349654.db2.gz LVUOTGDVOXKQLP-CABCVRRESA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@@H]1O ZINC001577868266 1075349433 /nfs/dbraw/zinc/34/94/33/1075349433.db2.gz NBRBDTKIFWUCED-OLZOCXBDSA-N 0 1 385.388 -1.205 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@@H]1O ZINC001577868266 1075349426 /nfs/dbraw/zinc/34/94/26/1075349426.db2.gz NBRBDTKIFWUCED-OLZOCXBDSA-N 0 1 385.388 -1.205 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@@H]1O ZINC001577868275 1075349412 /nfs/dbraw/zinc/34/94/12/1075349412.db2.gz NJBHVBPQBSIBPH-NEPJUHHUSA-N 0 1 385.388 -1.205 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@@H]1O ZINC001577868275 1075349406 /nfs/dbraw/zinc/34/94/06/1075349406.db2.gz NJBHVBPQBSIBPH-NEPJUHHUSA-N 0 1 385.388 -1.205 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1O ZINC001577868289 1075349522 /nfs/dbraw/zinc/34/95/22/1075349522.db2.gz NSWACLVBIVFLII-MCIONIFRSA-N 0 1 399.473 -1.217 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1O ZINC001577868289 1075349518 /nfs/dbraw/zinc/34/95/18/1075349518.db2.gz NSWACLVBIVFLII-MCIONIFRSA-N 0 1 399.473 -1.217 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1O ZINC001577868290 1075349293 /nfs/dbraw/zinc/34/92/93/1075349293.db2.gz NSWACLVBIVFLII-MGPQQGTHSA-N 0 1 399.473 -1.217 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1O ZINC001577868290 1075349288 /nfs/dbraw/zinc/34/92/88/1075349288.db2.gz NSWACLVBIVFLII-MGPQQGTHSA-N 0 1 399.473 -1.217 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O ZINC001577868312 1075349666 /nfs/dbraw/zinc/34/96/66/1075349666.db2.gz ORJLRNYIZMXYLE-ZIAGYGMSSA-N 0 1 386.416 -1.175 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O ZINC001577868312 1075349663 /nfs/dbraw/zinc/34/96/63/1075349663.db2.gz ORJLRNYIZMXYLE-ZIAGYGMSSA-N 0 1 386.416 -1.175 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1O ZINC001577868327 1075349449 /nfs/dbraw/zinc/34/94/49/1075349449.db2.gz PJKYRPZEWBKZFE-ZIAGYGMSSA-N 0 1 378.433 -1.268 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1O ZINC001577868327 1075349444 /nfs/dbraw/zinc/34/94/44/1075349444.db2.gz PJKYRPZEWBKZFE-ZIAGYGMSSA-N 0 1 378.433 -1.268 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1O ZINC001577868333 1075349646 /nfs/dbraw/zinc/34/96/46/1075349646.db2.gz PSVFJMXZJZYYEJ-CHWSQXEVSA-N 0 1 379.421 -1.769 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1O ZINC001577868333 1075349641 /nfs/dbraw/zinc/34/96/41/1075349641.db2.gz PSVFJMXZJZYYEJ-CHWSQXEVSA-N 0 1 379.421 -1.769 20 0 GAADMN O=C(CCCc1cnn[nH]1)N[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O ZINC001577868375 1075349474 /nfs/dbraw/zinc/34/94/74/1075349474.db2.gz RKBWHOFGEWIVFT-KGLIPLIRSA-N 0 1 376.421 -1.113 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1O ZINC001577868375 1075349466 /nfs/dbraw/zinc/34/94/66/1075349466.db2.gz RKBWHOFGEWIVFT-KGLIPLIRSA-N 0 1 376.421 -1.113 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001577868449 1075349570 /nfs/dbraw/zinc/34/95/70/1075349570.db2.gz VMJCNRNRJILHRO-BFHYXJOUSA-N 0 1 394.432 -2.201 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C[C@@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001577868450 1075349235 /nfs/dbraw/zinc/34/92/35/1075349235.db2.gz VMJCNRNRJILHRO-MCIONIFRSA-N 0 1 394.432 -2.201 20 0 GAADMN O=C(CCCc1c[nH]nn1)N[C@@H]1CN(C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001577868451 1075349355 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388.388 -1.110 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001577881684 1075352272 /nfs/dbraw/zinc/35/22/72/1075352272.db2.gz KDSKVPBRIIRXQB-LLVKDONJSA-N 0 1 385.446 -1.089 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001577881685 1075352305 /nfs/dbraw/zinc/35/23/05/1075352305.db2.gz KDSKVPBRIIRXQB-NSHDSACASA-N 0 1 385.446 -1.089 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001577881798 1075352313 /nfs/dbraw/zinc/35/23/13/1075352313.db2.gz MWZRRAGBIMEJQP-UHFFFAOYSA-N 0 1 391.388 -2.021 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H](CO)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001577881900 1075352225 /nfs/dbraw/zinc/35/22/25/1075352225.db2.gz OXWRKOYCFGUYBC-CHWSQXEVSA-N 0 1 391.432 -1.236 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H](CO)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001577881901 1075352253 /nfs/dbraw/zinc/35/22/53/1075352253.db2.gz OXWRKOYCFGUYBC-OLZOCXBDSA-N 0 1 391.432 -1.236 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H](CO)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001577881902 1075352237 /nfs/dbraw/zinc/35/22/37/1075352237.db2.gz OXWRKOYCFGUYBC-QWHCGFSZSA-N 0 1 391.432 -1.236 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H](CO)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001577881903 1075352300 /nfs/dbraw/zinc/35/23/00/1075352300.db2.gz OXWRKOYCFGUYBC-STQMWFEESA-N 0 1 391.432 -1.236 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001577882258 1075352262 /nfs/dbraw/zinc/35/22/62/1075352262.db2.gz XZIMAMNKHNGZCM-NEPJUHHUSA-N 0 1 377.409 -1.058 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@H]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001577882259 1075352212 /nfs/dbraw/zinc/35/22/12/1075352212.db2.gz XZIMAMNKHNGZCM-NWDGAFQWSA-N 0 1 377.409 -1.058 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@H]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001577882260 1075352183 /nfs/dbraw/zinc/35/21/83/1075352183.db2.gz XZIMAMNKHNGZCM-RYUDHWBXSA-N 0 1 377.409 -1.058 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001577882261 1075352286 /nfs/dbraw/zinc/35/22/86/1075352286.db2.gz XZIMAMNKHNGZCM-VXGBXAGGSA-N 0 1 377.409 -1.058 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@]1(O)CCN(C(=O)Cc2cncnc2)C1 ZINC001577884333 1075352515 /nfs/dbraw/zinc/35/25/15/1075352515.db2.gz AHYQCUGHUDDMEQ-KRWDZBQOSA-N 0 1 389.416 -1.176 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@]1(O)CCN(C(=O)Cc2cncnc2)C1 ZINC001577884334 1075352643 /nfs/dbraw/zinc/35/26/43/1075352643.db2.gz AHYQCUGHUDDMEQ-QGZVFWFLSA-N 0 1 389.416 -1.176 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001577884440 1075352613 /nfs/dbraw/zinc/35/26/13/1075352613.db2.gz CRGTTZZRZDHCPU-LLVKDONJSA-N 0 1 385.446 -1.279 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001577884441 1075352663 /nfs/dbraw/zinc/35/26/63/1075352663.db2.gz CRGTTZZRZDHCPU-NSHDSACASA-N 0 1 385.446 -1.279 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 ZINC001577884467 1075352691 /nfs/dbraw/zinc/35/26/91/1075352691.db2.gz DFBBDKVLTZOQKR-UHFFFAOYSA-N 0 1 378.393 -1.387 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)CCn2cccn2)C1 ZINC001577884477 1075352668 /nfs/dbraw/zinc/35/26/68/1075352668.db2.gz DNPPLQCBLKCAHA-UHFFFAOYSA-N 0 1 377.405 -1.312 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)C(=O)NCC(F)F)C1 ZINC001577884537 1075352530 /nfs/dbraw/zinc/35/25/30/1075352530.db2.gz GHJJIVQLFLSNSK-UHFFFAOYSA-N 0 1 390.347 -2.218 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)CCc2cn[nH]c2)C1 ZINC001577884546 1075352545 /nfs/dbraw/zinc/35/25/45/1075352545.db2.gz GLYVNRFEQKCCBP-UHFFFAOYSA-N 0 1 377.405 -1.243 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)c2n[nH]c3c2CCC3)C1 ZINC001577884587 1075352716 /nfs/dbraw/zinc/35/27/16/1075352716.db2.gz HZDAHVMXBZICDX-UHFFFAOYSA-N 0 1 389.416 -1.074 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@]1(O)CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001577884680 1075352697 /nfs/dbraw/zinc/35/26/97/1075352697.db2.gz KRNNMFWFNQGCMI-INIZCTEOSA-N 0 1 391.388 -1.400 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@]1(O)CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001577884681 1075352674 /nfs/dbraw/zinc/35/26/74/1075352674.db2.gz KRNNMFWFNQGCMI-MRXNPFEDSA-N 0 1 391.388 -1.400 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@]1(O)CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001577884712 1075352650 /nfs/dbraw/zinc/35/26/50/1075352650.db2.gz LJDHNLBLGJJQJM-CVEARBPZSA-N 0 1 385.396 -1.080 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@]1(O)CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001577884713 1075352704 /nfs/dbraw/zinc/35/27/04/1075352704.db2.gz LJDHNLBLGJJQJM-HOTGVXAUSA-N 0 1 385.396 -1.080 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@]1(O)CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001577884714 1075352710 /nfs/dbraw/zinc/35/27/10/1075352710.db2.gz LJDHNLBLGJJQJM-HZPDHXFCSA-N 0 1 385.396 -1.080 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@]1(O)CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001577884715 1075352628 /nfs/dbraw/zinc/35/26/28/1075352628.db2.gz LJDHNLBLGJJQJM-JKSUJKDBSA-N 0 1 385.396 -1.080 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(CC(=O)Nc2cnccn2)C1 ZINC001577884761 1075352558 /nfs/dbraw/zinc/35/25/58/1075352558.db2.gz MEZRSJUYJBNQQE-UHFFFAOYSA-N 0 1 390.404 -1.697 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001577884844 1075352685 /nfs/dbraw/zinc/35/26/85/1075352685.db2.gz NWDZFIKBEFTHRJ-HNNXBMFYSA-N 0 1 388.392 -1.698 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 ZINC001577884845 1075352657 /nfs/dbraw/zinc/35/26/57/1075352657.db2.gz NWDZFIKBEFTHRJ-OAHLLOKOSA-N 0 1 388.392 -1.698 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)CCn2cnnn2)C1 ZINC001577884933 1075352578 /nfs/dbraw/zinc/35/25/78/1075352578.db2.gz PPQUAZCYPXOMNK-UHFFFAOYSA-N 0 1 379.381 -2.522 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@]1(O)CCN(C(=O)Cn2ncnn2)C1 ZINC001577884936 1075352986 /nfs/dbraw/zinc/35/29/86/1075352986.db2.gz PRKJAQOWCHOEPU-AWEZNQCLSA-N 0 1 379.381 -2.522 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@]1(O)CCN(C(=O)Cn2ncnn2)C1 ZINC001577884937 1075353019 /nfs/dbraw/zinc/35/30/19/1075353019.db2.gz PRKJAQOWCHOEPU-CQSZACIVSA-N 0 1 379.381 -2.522 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)c2csc(=O)[nH]2)C1 ZINC001577885073 1075353051 /nfs/dbraw/zinc/35/30/51/1075353051.db2.gz RXJMYPGDNZDEDN-UHFFFAOYSA-N 0 1 382.402 -1.123 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001577885075 1075353077 /nfs/dbraw/zinc/35/30/77/1075353077.db2.gz RZCTZOFQTASYPF-LLVKDONJSA-N 0 1 381.389 -1.646 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001577885076 1075352970 /nfs/dbraw/zinc/35/29/70/1075352970.db2.gz RZCTZOFQTASYPF-NSHDSACASA-N 0 1 381.389 -1.646 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 ZINC001577885211 1075353043 /nfs/dbraw/zinc/35/30/43/1075353043.db2.gz WCIMBPGYPPHIEL-UHFFFAOYSA-N 0 1 380.405 -1.977 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC1(O)CN(CC(=O)Nc2ccon2)C1 ZINC001577885222 1075353096 /nfs/dbraw/zinc/35/30/96/1075353096.db2.gz WHIUANYDHZWPPG-UHFFFAOYSA-N 0 1 379.377 -1.499 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001577885231 1075353129 /nfs/dbraw/zinc/35/31/29/1075353129.db2.gz WNHVTTPAMJRMBG-AAEUAGOBSA-N 0 1 377.409 -1.201 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H]1CCC[C@H]1NC(=O)Cn1cnnn1 ZINC001577885232 1075353119 /nfs/dbraw/zinc/35/31/19/1075353119.db2.gz WNHVTTPAMJRMBG-DGCLKSJQSA-N 0 1 377.409 -1.201 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1CCC[C@H]1NC(=O)Cn1cnnn1 ZINC001577885233 1075353068 /nfs/dbraw/zinc/35/30/68/1075353068.db2.gz WNHVTTPAMJRMBG-WCQYABFASA-N 0 1 377.409 -1.201 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001577885234 1075353124 /nfs/dbraw/zinc/35/31/24/1075353124.db2.gz WNHVTTPAMJRMBG-YPMHNXCESA-N 0 1 377.409 -1.201 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001577885319 1075353090 /nfs/dbraw/zinc/35/30/90/1075353090.db2.gz YTSWMRAMLMHDBD-HNNXBMFYSA-N 0 1 378.393 -1.848 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@]1(O)CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001577885320 1075353101 /nfs/dbraw/zinc/35/31/01/1075353101.db2.gz YTSWMRAMLMHDBD-OAHLLOKOSA-N 0 1 378.393 -1.848 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001577887277 1075352998 /nfs/dbraw/zinc/35/29/98/1075352998.db2.gz ANNZBWNKODLRNF-GFCCVEGCSA-N 0 1 391.436 -1.027 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCCCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001577887278 1075353011 /nfs/dbraw/zinc/35/30/11/1075353011.db2.gz ANNZBWNKODLRNF-LBPRGKRZSA-N 0 1 391.436 -1.027 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001577887400 1075353058 /nfs/dbraw/zinc/35/30/58/1075353058.db2.gz FMCQNPXNOKBIRW-CYBMUJFWSA-N 0 1 385.446 -1.137 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H]1COCCN1C(=O)[C@@H]1COCCO1 ZINC001577887472 1075353407 /nfs/dbraw/zinc/35/34/07/1075353407.db2.gz HDMJUDLYUWAEHV-KBPBESRZSA-N 0 1 383.405 -1.530 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1COCCN1C(=O)[C@@H]1COCCO1 ZINC001577887473 1075353357 /nfs/dbraw/zinc/35/33/57/1075353357.db2.gz HDMJUDLYUWAEHV-KGLIPLIRSA-N 0 1 383.405 -1.530 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H]1COCCN1C(=O)[C@H]1COCCO1 ZINC001577887474 1075353446 /nfs/dbraw/zinc/35/34/46/1075353446.db2.gz HDMJUDLYUWAEHV-UONOGXRCSA-N 0 1 383.405 -1.530 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1COCCN1C(=O)[C@H]1COCCO1 ZINC001577887475 1075353535 /nfs/dbraw/zinc/35/35/35/1075353535.db2.gz HDMJUDLYUWAEHV-ZIAGYGMSSA-N 0 1 383.405 -1.530 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001577887515 1075353515 /nfs/dbraw/zinc/35/35/15/1075353515.db2.gz IMWBGKGBVYHXSL-AAEUAGOBSA-N 0 1 379.421 -1.252 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001577887516 1075353500 /nfs/dbraw/zinc/35/35/00/1075353500.db2.gz IMWBGKGBVYHXSL-DGCLKSJQSA-N 0 1 379.421 -1.252 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001577887517 1075353431 /nfs/dbraw/zinc/35/34/31/1075353431.db2.gz IMWBGKGBVYHXSL-WCQYABFASA-N 0 1 379.421 -1.252 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NCC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001577887518 1075353305 /nfs/dbraw/zinc/35/33/05/1075353305.db2.gz IMWBGKGBVYHXSL-YPMHNXCESA-N 0 1 379.421 -1.252 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H]1COCCN1C(=O)CCn1cncn1 ZINC001577887553 1075353457 /nfs/dbraw/zinc/35/34/57/1075353457.db2.gz KAJNWMNRTUITHX-AWEZNQCLSA-N 0 1 392.420 -1.263 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1COCCN1C(=O)CCn1cncn1 ZINC001577887554 1075353483 /nfs/dbraw/zinc/35/34/83/1075353483.db2.gz KAJNWMNRTUITHX-CQSZACIVSA-N 0 1 392.420 -1.263 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1COCCN1C(=O)c1cn[nH]c(=O)c1 ZINC001577887564 1075353397 /nfs/dbraw/zinc/35/33/97/1075353397.db2.gz KLGYKUSZHCWHOO-CYBMUJFWSA-N 0 1 391.388 -1.136 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@H]1COCCN1C(=O)c1cn[nH]c(=O)c1 ZINC001577887565 1075353389 /nfs/dbraw/zinc/35/33/89/1075353389.db2.gz KLGYKUSZHCWHOO-ZDUSSCGKSA-N 0 1 391.388 -1.136 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC[C@@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001577887663 1075353370 /nfs/dbraw/zinc/35/33/70/1075353370.db2.gz NFHNEUHNVZJQMM-GFCCVEGCSA-N 0 1 378.393 -1.123 20 0 GAADMN 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O=C(CCOCc1c[nH]nn1)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1O ZINC001577890082 1075354219 /nfs/dbraw/zinc/35/42/19/1075354219.db2.gz QQILLCHHFJIQPX-CHWSQXEVSA-N 0 1 377.409 -1.606 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1O ZINC001577890101 1075354185 /nfs/dbraw/zinc/35/41/85/1075354185.db2.gz RRCISLFWXVYYDA-CHWSQXEVSA-N 0 1 380.405 -2.075 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O ZINC001577890118 1075354169 /nfs/dbraw/zinc/35/41/69/1075354169.db2.gz SRLDHSWXNRATIG-HUUCEWRRSA-N 0 1 380.449 -1.115 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1O ZINC001577890195 1075354292 /nfs/dbraw/zinc/35/42/92/1075354292.db2.gz TYAYEJCHZDMKMW-CHWSQXEVSA-N 0 1 396.404 -2.742 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1O ZINC001577890287 1075354152 /nfs/dbraw/zinc/35/41/52/1075354152.db2.gz VZNCYXGHSFFFNS-OCCSQVGLSA-N 0 1 389.416 -1.144 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C1 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/nfs/dbraw/zinc/35/41/60/1075354160.db2.gz BDTWNTWEWDJQEV-LBPRGKRZSA-N 0 1 385.388 -1.176 20 0 GAADMN O=C(CCc1c[nH]nn1)N[C@@H](CO)CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001577896802 1075354239 /nfs/dbraw/zinc/35/42/39/1075354239.db2.gz FUOKYJLWAUJJLC-CYBMUJFWSA-N 0 1 385.388 -1.176 20 0 GAADMN O=C(CCc1c[nH]nn1)N[C@H](CO)CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001577896803 1075354661 /nfs/dbraw/zinc/35/46/61/1075354661.db2.gz FUOKYJLWAUJJLC-ZDUSSCGKSA-N 0 1 385.388 -1.176 20 0 GAADMN O=C(CCc1c[nH]nn1)N[C@@H]1CN(C(=O)c2cncc(-c3c[nH]nn3)c2)C[C@@H]1O ZINC001577897647 1075354655 /nfs/dbraw/zinc/35/46/55/1075354655.db2.gz VFMAIOJLGMSGLQ-CABCVRRESA-N 0 1 397.399 -1.081 20 0 GAADMN O=C(CCc1c[nH]nn1)N[C@@H]1CN(C(=O)c2cncc(-c3c[nH]nn3)c2)C[C@H]1O ZINC001577897648 1075354560 /nfs/dbraw/zinc/35/45/60/1075354560.db2.gz VFMAIOJLGMSGLQ-HUUCEWRRSA-N 0 1 397.399 -1.081 20 0 GAADMN O=C(CCc1c[nH]nn1)NC[C@@H](O)CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001577897713 1075354588 /nfs/dbraw/zinc/35/45/88/1075354588.db2.gz YBOPEKFEKHHBNA-CYBMUJFWSA-N 0 1 385.388 -1.176 20 0 GAADMN O=C(CCc1c[nH]nn1)NC[C@H](O)CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001577897714 1075354615 /nfs/dbraw/zinc/35/46/15/1075354615.db2.gz YBOPEKFEKHHBNA-ZDUSSCGKSA-N 0 1 385.388 -1.176 20 0 GAADMN O=C(CCc1c[nH]nn1)N[C@@H](CO)CNC(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001577897726 1075354648 /nfs/dbraw/zinc/35/46/48/1075354648.db2.gz YEDLYNCLWRQSLJ-GFCCVEGCSA-N 0 1 385.388 -1.176 20 0 GAADMN O=C(CCc1c[nH]nn1)N[C@H](CO)CNC(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001577897727 1075354576 /nfs/dbraw/zinc/35/45/76/1075354576.db2.gz YEDLYNCLWRQSLJ-LBPRGKRZSA-N 0 1 385.388 -1.176 20 0 GAADMN CC[NH+](CC)CC[C@@H](CO)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001577902958 1075354666 /nfs/dbraw/zinc/35/46/66/1075354666.db2.gz LWRIIDGJHQEXJJ-JTQLQIEISA-N 0 1 380.409 -1.662 20 0 GAADMN CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001577902959 1075354598 /nfs/dbraw/zinc/35/45/98/1075354598.db2.gz LWRIIDGJHQEXJJ-SNVBAGLBSA-N 0 1 380.409 -1.662 20 0 GAADMN CC[NH+](CC)CCOCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001577903201 1075354626 /nfs/dbraw/zinc/35/46/26/1075354626.db2.gz SZMXFHPDIWBDFY-UHFFFAOYSA-N 0 1 380.409 -1.396 20 0 GAADMN O=C(CCc1cnccn1)N[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@@H]1O ZINC001577903431 1075354642 /nfs/dbraw/zinc/35/46/42/1075354642.db2.gz AWQHGNNWVOJWFR-CABCVRRESA-N 0 1 389.416 -1.178 20 0 GAADMN O=C(CCc1cnccn1)N[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)C[C@H]1O ZINC001577903432 1075354636 /nfs/dbraw/zinc/35/46/36/1075354636.db2.gz AWQHGNNWVOJWFR-HUUCEWRRSA-N 0 1 389.416 -1.178 20 0 GAADMN O=C(CCc1cn[nH]c1)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577903492 1075355075 /nfs/dbraw/zinc/35/50/75/1075355075.db2.gz CWCZRWJILPCGPD-CABCVRRESA-N 0 1 390.448 -1.282 20 0 GAADMN O=C(CCc1cn[nH]c1)N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577903493 1075355038 /nfs/dbraw/zinc/35/50/38/1075355038.db2.gz CWCZRWJILPCGPD-GJZGRUSLSA-N 0 1 390.448 -1.282 20 0 GAADMN O=C(CCc1cncnc1)NC[C@@]1(O)CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577903845 1075355100 /nfs/dbraw/zinc/35/51/00/1075355100.db2.gz QJLNMAVXEHGYKS-KRWDZBQOSA-N 0 1 388.432 -1.603 20 0 GAADMN O=C(CCc1cncnc1)NC[C@]1(O)CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577903846 1075354904 /nfs/dbraw/zinc/35/49/04/1075354904.db2.gz QJLNMAVXEHGYKS-QGZVFWFLSA-N 0 1 388.432 -1.603 20 0 GAADMN O=C(CCc1cnccn1)NC[C@@H]1CCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577903862 1075354891 /nfs/dbraw/zinc/35/48/91/1075354891.db2.gz QXKXRBXVXAUBJU-AWEZNQCLSA-N 0 1 386.416 -1.049 20 0 GAADMN O=C(CCc1cnccn1)NC[C@H]1CCN1C(=O)CC(=O)NCc1c[nH]nn1 ZINC001577903863 1075355117 /nfs/dbraw/zinc/35/51/17/1075355117.db2.gz QXKXRBXVXAUBJU-CQSZACIVSA-N 0 1 386.416 -1.049 20 0 GAADMN O=C(CCc1cn[nH]c1)NC[C@@]1(O)CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577903957 1075355016 /nfs/dbraw/zinc/35/50/16/1075355016.db2.gz VGBFJZYTQIUQJC-INIZCTEOSA-N 0 1 376.421 -1.670 20 0 GAADMN O=C(CCc1cn[nH]c1)NC[C@]1(O)CCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577903958 1075354938 /nfs/dbraw/zinc/35/49/38/1075354938.db2.gz VGBFJZYTQIUQJC-MRXNPFEDSA-N 0 1 376.421 -1.670 20 0 GAADMN O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1COC2(CN(Cc3c[nH]nn3)C2)C1 ZINC001577906605 1075355089 /nfs/dbraw/zinc/35/50/89/1075355089.db2.gz GCXDLHYGQIXUKP-LLVKDONJSA-N 0 1 375.389 -1.796 20 0 GAADMN O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1COC2(CN(Cc3c[nH]nn3)C2)C1 ZINC001577906606 1075354959 /nfs/dbraw/zinc/35/49/59/1075354959.db2.gz GCXDLHYGQIXUKP-NSHDSACASA-N 0 1 375.389 -1.796 20 0 GAADMN O=C(CCn1cccn1)N1CCN(Cc2c[nH]nn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001577906955 1075355697 /nfs/dbraw/zinc/35/56/97/1075355697.db2.gz SADFHDQGNSXHNX-UONOGXRCSA-N 0 1 379.446 -1.099 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H](O)CNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577913252 1075355453 /nfs/dbraw/zinc/35/54/53/1075355453.db2.gz ABAPRTXGWPLWCG-GFCCVEGCSA-N 0 1 386.376 -1.850 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H](O)CNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577913253 1075355723 /nfs/dbraw/zinc/35/57/23/1075355723.db2.gz ABAPRTXGWPLWCG-LBPRGKRZSA-N 0 1 386.376 -1.850 20 0 GAADMN O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2CN(C(=O)CCCCc3cn[nH]n3)C[C@H]21 ZINC001577913275 1075355753 /nfs/dbraw/zinc/35/57/53/1075355753.db2.gz BCWCRKXMGAAGNE-ATCWAGBWSA-N 0 1 389.416 -1.358 20 0 GAADMN O=C(CCn1cncn1)N1CCN(Cc2c[nH]nn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001577913282 1075355392 /nfs/dbraw/zinc/35/53/92/1075355392.db2.gz BKTGNHUWXGJBRX-QWHCGFSZSA-N 0 1 380.434 -1.704 20 0 GAADMN O=C(CN1C(=O)CNC1=O)N1CCC2(CC1)CN(Cc1c[nH]nn1)CCO2 ZINC001577913306 1075355368 /nfs/dbraw/zinc/35/53/68/1075355368.db2.gz CMBVXOYVZYPUCG-UHFFFAOYSA-N 0 1 377.405 -1.450 20 0 GAADMN O=C(CCn1ccnn1)N[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1O ZINC001577913354 1075355713 /nfs/dbraw/zinc/35/57/13/1075355713.db2.gz DOHLMHZYRALCIS-ZIAGYGMSSA-N 0 1 376.421 -1.113 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577913406 1075355434 /nfs/dbraw/zinc/35/54/34/1075355434.db2.gz GXVVQVPHHOMVHU-JSGCOSHPSA-N 0 1 388.436 -1.437 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577913407 1075355523 /nfs/dbraw/zinc/35/55/23/1075355523.db2.gz GXVVQVPHHOMVHU-OCCSQVGLSA-N 0 1 388.436 -1.437 20 0 GAADMN O=C(CN1C(=O)CCC1=O)N[C@@H]1CC2(CN(Cc3c[nH]nn3)C2)n2ccnc21 ZINC001577913412 1075355503 /nfs/dbraw/zinc/35/55/03/1075355503.db2.gz HBCZMEPAMIGAIZ-GFCCVEGCSA-N 0 1 384.400 -1.078 20 0 GAADMN O=C(CN1C(=O)CCC1=O)N[C@H]1CC2(CN(Cc3c[nH]nn3)C2)n2ccnc21 ZINC001577913413 1075355415 /nfs/dbraw/zinc/35/54/15/1075355415.db2.gz HBCZMEPAMIGAIZ-LBPRGKRZSA-N 0 1 384.400 -1.078 20 0 GAADMN O=C(CCn1cncn1)NCC1(O)CN(C(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001577913420 1075355465 /nfs/dbraw/zinc/35/54/65/1075355465.db2.gz HJIPLVFNZFBQOY-UHFFFAOYSA-N 0 1 388.432 -1.111 20 0 GAADMN O=C(CCn1cncn1)NCC1(O)CN(C(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001577913420 1075355461 /nfs/dbraw/zinc/35/54/61/1075355461.db2.gz HJIPLVFNZFBQOY-UHFFFAOYSA-N 0 1 388.432 -1.111 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H]1COCCN1CC(=O)NCc1c[nH]nn1 ZINC001577913760 1075355550 /nfs/dbraw/zinc/35/55/50/1075355550.db2.gz ILOAABFQJQVHOK-GFCCVEGCSA-N 0 1 378.397 -2.685 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H]1COCCN1CC(=O)NCc1c[nH]nn1 ZINC001577913761 1075355381 /nfs/dbraw/zinc/35/53/81/1075355381.db2.gz ILOAABFQJQVHOK-LBPRGKRZSA-N 0 1 378.397 -2.685 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H]1CCCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577913769 1075355731 /nfs/dbraw/zinc/35/57/31/1075355731.db2.gz IZGSAGYNLZLUJE-GFCCVEGCSA-N 0 1 376.425 -1.674 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H]1CCCN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577913770 1075355473 /nfs/dbraw/zinc/35/54/73/1075355473.db2.gz IZGSAGYNLZLUJE-LBPRGKRZSA-N 0 1 376.425 -1.674 20 0 GAADMN O=C(CN1C(=O)CCC1=O)N[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1O ZINC001577913771 1075356227 /nfs/dbraw/zinc/35/62/27/1075356227.db2.gz IZMYQOKTQUAKPN-VXGBXAGGSA-N 0 1 378.389 -2.036 20 0 GAADMN O=C(CN1C(=O)CCC1=O)N[C@@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@H]1O ZINC001577913771 1075356220 /nfs/dbraw/zinc/35/62/20/1075356220.db2.gz IZMYQOKTQUAKPN-VXGBXAGGSA-N 0 1 378.389 -2.036 20 0 GAADMN O=C(CCn1cnnn1)NC1(CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001577913833 1075356099 /nfs/dbraw/zinc/35/60/99/1075356099.db2.gz KGGXMSCKFWBWIN-ZDUSSCGKSA-N 0 1 388.436 -1.389 20 0 GAADMN O=C(CCn1ccnn1)N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577913834 1075356208 /nfs/dbraw/zinc/35/62/08/1075356208.db2.gz KGVIINMGWAIPLN-KBPBESRZSA-N 0 1 391.436 -1.956 20 0 GAADMN O=C(CCn1ccnn1)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577913835 1075356012 /nfs/dbraw/zinc/35/60/12/1075356012.db2.gz KGVIINMGWAIPLN-KGLIPLIRSA-N 0 1 391.436 -1.956 20 0 GAADMN O=C(CCn1ccnn1)NCCNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577914170 1075356025 /nfs/dbraw/zinc/35/60/25/1075356025.db2.gz MCKDYLCQXYECOA-UHFFFAOYSA-N 0 1 375.437 -1.069 20 0 GAADMN O=C(CN(CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1)NCc1c[nH]nn1 ZINC001577914269 1075356154 /nfs/dbraw/zinc/35/61/54/1075356154.db2.gz NIPZNBURNXRVQN-GFCCVEGCSA-N 0 1 385.450 -2.307 20 0 GAADMN O=C(CN(CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1)NCc1c[nH]nn1 ZINC001577914275 1075356271 /nfs/dbraw/zinc/35/62/71/1075356271.db2.gz NIPZNBURNXRVQN-LBPRGKRZSA-N 0 1 385.450 -2.307 20 0 GAADMN O=C(CN1CCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O)NCc1c[nH]nn1 ZINC001577914309 1075356239 /nfs/dbraw/zinc/35/62/39/1075356239.db2.gz NTDSQCAWIKSFGZ-LLVKDONJSA-N 0 1 378.393 -2.447 20 0 GAADMN O=C(CN1CCC[C@H]1CNC(=O)CN1C(=O)CNC1=O)NCc1c[nH]nn1 ZINC001577914313 1075356073 /nfs/dbraw/zinc/35/60/73/1075356073.db2.gz NTDSQCAWIKSFGZ-NSHDSACASA-N 0 1 378.393 -2.447 20 0 GAADMN O=C(CN1CC(CCO)(NC(=O)C2CCC(O)CC2)C1)NCc1c[nH]nn1 ZINC001577915034 1075356174 /nfs/dbraw/zinc/35/61/74/1075356174.db2.gz PTZUKURTRJYYSM-UHFFFAOYSA-N 0 1 380.449 -1.475 20 0 GAADMN O=C(CCn1cncn1)NCC[C@@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O ZINC001577915053 1075356265 /nfs/dbraw/zinc/35/62/65/1075356265.db2.gz QIIBLFPDIIJVTO-CYBMUJFWSA-N 0 1 382.450 -1.408 20 0 GAADMN O=C(CCn1cncn1)NCC[C@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O ZINC001577915055 1075356143 /nfs/dbraw/zinc/35/61/43/1075356143.db2.gz QIIBLFPDIIJVTO-ZDUSSCGKSA-N 0 1 382.450 -1.408 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H]1CCCN1C(=O)CCOCc1c[nH]nn1 ZINC001577915084 1075356185 /nfs/dbraw/zinc/35/61/85/1075356185.db2.gz RCBRHPUGLRIWNY-CYBMUJFWSA-N 0 1 377.409 -1.105 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H]1CCCN1C(=O)CCOCc1c[nH]nn1 ZINC001577915085 1075356131 /nfs/dbraw/zinc/35/61/31/1075356131.db2.gz RCBRHPUGLRIWNY-ZDUSSCGKSA-N 0 1 377.409 -1.105 20 0 GAADMN O=C(CCn1cncn1)NC[C@H]1CN(C(=O)CCOCc2c[nH]nn2)CCO1 ZINC001577915113 1075356694 /nfs/dbraw/zinc/35/66/94/1075356694.db2.gz SMKMNFOUUPSCPX-AWEZNQCLSA-N 0 1 392.420 -1.263 20 0 GAADMN O=C(CCn1cncn1)NC[C@@H]1CN(C(=O)CCOCc2c[nH]nn2)CCO1 ZINC001577915114 1075356684 /nfs/dbraw/zinc/35/66/84/1075356684.db2.gz SMKMNFOUUPSCPX-CQSZACIVSA-N 0 1 392.420 -1.263 20 0 GAADMN O=C(CCn1ccnn1)N[C@@H]1CN(C(=O)c2cncc(-c3cn[nH]n3)c2)C[C@H]1O ZINC001577915132 1075356675 /nfs/dbraw/zinc/35/66/75/1075356675.db2.gz STXBUWCCLHCVEF-HUUCEWRRSA-N 0 1 397.399 -1.150 20 0 GAADMN O=C(CN1C(=O)CCC1=O)NC[C@H]1CCN1C(=O)CCOCc1c[nH]nn1 ZINC001577915136 1075356454 /nfs/dbraw/zinc/35/64/54/1075356454.db2.gz SUSJJMHVPJPYOX-GFCCVEGCSA-N 0 1 378.389 -1.423 20 0 GAADMN O=C(CN1C(=O)CCC1=O)NC[C@@H]1CCN1C(=O)CCOCc1c[nH]nn1 ZINC001577915137 1075356527 /nfs/dbraw/zinc/35/65/27/1075356527.db2.gz SUSJJMHVPJPYOX-LBPRGKRZSA-N 0 1 378.389 -1.423 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1O ZINC001577915447 1075356624 /nfs/dbraw/zinc/35/66/24/1075356624.db2.gz URFNDBYHCOTQAN-CHWSQXEVSA-N 0 1 377.409 -1.718 20 0 GAADMN O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN1C(=O)CCCCc1cn[nH]n1 ZINC001577915457 1075356513 /nfs/dbraw/zinc/35/65/13/1075356513.db2.gz UZVUELXOQFNRHH-GFCCVEGCSA-N 0 1 377.405 -1.214 20 0 GAADMN O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN1C(=O)CCCCc1cn[nH]n1 ZINC001577915458 1075356597 /nfs/dbraw/zinc/35/65/97/1075356597.db2.gz UZVUELXOQFNRHH-LBPRGKRZSA-N 0 1 377.405 -1.214 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H](CO)NC(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001577915459 1075356609 /nfs/dbraw/zinc/35/66/09/1075356609.db2.gz UZXAIVZKXPVYOG-GFCCVEGCSA-N 0 1 377.409 -1.812 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H](CO)NC(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001577915459 1075356605 /nfs/dbraw/zinc/35/66/05/1075356605.db2.gz UZXAIVZKXPVYOG-GFCCVEGCSA-N 0 1 377.409 -1.812 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H](CO)NC(=O)C1(Cc2cnn[nH]2)CCC1 ZINC001577915460 1075356663 /nfs/dbraw/zinc/35/66/63/1075356663.db2.gz UZXAIVZKXPVYOG-LBPRGKRZSA-N 0 1 377.409 -1.812 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H](CO)NC(=O)C1(Cc2c[nH]nn2)CCC1 ZINC001577915460 1075356659 /nfs/dbraw/zinc/35/66/59/1075356659.db2.gz UZXAIVZKXPVYOG-LBPRGKRZSA-N 0 1 377.409 -1.812 20 0 GAADMN O=C(CN1C(=O)CNC1=O)NCCCNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577915477 1075356442 /nfs/dbraw/zinc/35/64/42/1075356442.db2.gz VMHDQPIQUXOCDY-UHFFFAOYSA-N 0 1 386.372 -1.345 20 0 GAADMN O=C(CCn1cncn1)NC[C@@]1(O)CCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001577915503 1075356636 /nfs/dbraw/zinc/35/66/36/1075356636.db2.gz VXCKYUQYXLOIDV-INIZCTEOSA-N 0 1 376.421 -1.111 20 0 GAADMN O=C(CCn1cncn1)NC[C@@]1(O)CCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001577915503 1075356630 /nfs/dbraw/zinc/35/66/30/1075356630.db2.gz VXCKYUQYXLOIDV-INIZCTEOSA-N 0 1 376.421 -1.111 20 0 GAADMN O=C(CCn1cncn1)NC[C@]1(O)CCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001577915504 1075356475 /nfs/dbraw/zinc/35/64/75/1075356475.db2.gz VXCKYUQYXLOIDV-MRXNPFEDSA-N 0 1 376.421 -1.111 20 0 GAADMN O=C(CCn1cncn1)NC[C@]1(O)CCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001577915504 1075356468 /nfs/dbraw/zinc/35/64/68/1075356468.db2.gz VXCKYUQYXLOIDV-MRXNPFEDSA-N 0 1 376.421 -1.111 20 0 GAADMN O=C(CCn1ccnn1)NCC1CN(C(=O)CC(=O)NCc2c[nH]nn2)C1 ZINC001577915526 1075356706 /nfs/dbraw/zinc/35/67/06/1075356706.db2.gz WNIQROKRHQCASB-UHFFFAOYSA-N 0 1 375.393 -1.933 20 0 GAADMN O=C(C[N@@H+](CCO)C1CCN(C(=O)c2cnon2)CC1)NCc1c[nH]nn1 ZINC001577915538 1075356546 /nfs/dbraw/zinc/35/65/46/1075356546.db2.gz WZIVSZFMLZXZKC-UHFFFAOYSA-N 0 1 378.393 -1.597 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1COC2(CN(C(=O)CCCc3cnn[nH]3)C2)C1 ZINC001577915548 1075356580 /nfs/dbraw/zinc/35/65/80/1075356580.db2.gz XLFGXCNCFCMUEJ-CYBMUJFWSA-N 0 1 389.420 -1.310 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1COC2(CN(C(=O)CCCc3c[nH]nn3)C2)C1 ZINC001577915548 1075356574 /nfs/dbraw/zinc/35/65/74/1075356574.db2.gz XLFGXCNCFCMUEJ-CYBMUJFWSA-N 0 1 389.420 -1.310 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1COC2(CN(C(=O)CCCc3cnn[nH]3)C2)C1 ZINC001577915549 1075356652 /nfs/dbraw/zinc/35/66/52/1075356652.db2.gz XLFGXCNCFCMUEJ-ZDUSSCGKSA-N 0 1 389.420 -1.310 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1COC2(CN(C(=O)CCCc3c[nH]nn3)C2)C1 ZINC001577915549 1075356646 /nfs/dbraw/zinc/35/66/46/1075356646.db2.gz XLFGXCNCFCMUEJ-ZDUSSCGKSA-N 0 1 389.420 -1.310 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC1(CNC(=O)CN2C(=O)CNC2=O)CCC1 ZINC001577915567 1075356497 /nfs/dbraw/zinc/35/64/97/1075356497.db2.gz XZJZFMFGRQSMGU-UHFFFAOYSA-N 0 1 377.405 -1.166 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC1(CNC(=O)CN2C(=O)CNC2=O)CCC1 ZINC001577915567 1075356491 /nfs/dbraw/zinc/35/64/91/1075356491.db2.gz XZJZFMFGRQSMGU-UHFFFAOYSA-N 0 1 377.405 -1.166 20 0 GAADMN O=C(CN1C(=O)CNC1=O)N[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577915568 1075356430 /nfs/dbraw/zinc/35/64/30/1075356430.db2.gz XZMSYYDWSKAEMO-SNVBAGLBSA-N 0 1 379.377 -2.020 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1[C@H]2CN(C(=O)CCOCc3c[nH]nn3)C[C@H]21 ZINC001577915571 1075357057 /nfs/dbraw/zinc/35/70/57/1075357057.db2.gz YAPWKSWSJQXQKH-JYAVWHMHSA-N 0 1 375.393 -1.639 20 0 GAADMN O=C(CCn1cncn1)NCC1(O)CN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577915577 1075357002 /nfs/dbraw/zinc/35/70/02/1075357002.db2.gz YCSUUSQPGQWNLS-UHFFFAOYSA-N 0 1 378.393 -1.917 20 0 GAADMN O=C(CCn1cncn1)NCC1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577915615 1075357042 /nfs/dbraw/zinc/35/70/42/1075357042.db2.gz ZGOUSHPLWCOLME-UHFFFAOYSA-N 0 1 375.437 -1.069 20 0 GAADMN O=C(CNC(=O)C1CCCCC1)NC1CN(CC(=O)NCc2c[nH]nn2)C1 ZINC001577917505 1075357081 /nfs/dbraw/zinc/35/70/81/1075357081.db2.gz BLQQADXZMQTJCZ-UHFFFAOYSA-N 0 1 377.449 -1.082 20 0 GAADMN O=C(CN1CC(N2CCN(C(=O)c3cnns3)CC2)C1)NCc1c[nH]nn1 ZINC001577917510 1075357119 /nfs/dbraw/zinc/35/71/19/1075357119.db2.gz BQRBHLSWDQYYSD-UHFFFAOYSA-N 0 1 391.461 -1.585 20 0 GAADMN 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NXAQAIGFVCKGGU-CQSZACIVSA-N 0 1 376.421 -1.406 20 0 GAADMN O=C(Cc1cc[nH]n1)N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577963866 1075373550 /nfs/dbraw/zinc/37/35/50/1075373550.db2.gz RGIWBASANJOXAL-KBPBESRZSA-N 0 1 376.421 -1.672 20 0 GAADMN O=C(Cc1cc[nH]n1)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577963867 1075373600 /nfs/dbraw/zinc/37/36/00/1075373600.db2.gz RGIWBASANJOXAL-KGLIPLIRSA-N 0 1 376.421 -1.672 20 0 GAADMN O=C(Cc1c[nH]cn1)NC[C@H](O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577963887 1075373476 /nfs/dbraw/zinc/37/34/76/1075373476.db2.gz RXVUXXWPXKSXIX-KBPBESRZSA-N 0 1 376.421 -1.672 20 0 GAADMN O=C(Cc1c[nH]cn1)NC[C@@H](O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577963888 1075373460 /nfs/dbraw/zinc/37/34/60/1075373460.db2.gz RXVUXXWPXKSXIX-KGLIPLIRSA-N 0 1 376.421 -1.672 20 0 GAADMN O=C(Cc1cc[nH]n1)NC[C@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001577963931 1075373577 /nfs/dbraw/zinc/37/35/77/1075373577.db2.gz UDPLAWDFIFMLFM-AWEZNQCLSA-N 0 1 391.432 -1.297 20 0 GAADMN O=C(Cc1cc[nH]n1)NC[C@H](O)CNC(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001577963931 1075373572 /nfs/dbraw/zinc/37/35/72/1075373572.db2.gz UDPLAWDFIFMLFM-AWEZNQCLSA-N 0 1 391.432 -1.297 20 0 GAADMN O=C(Cc1cc[nH]n1)NC[C@@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 ZINC001577963932 1075373632 /nfs/dbraw/zinc/37/36/32/1075373632.db2.gz UDPLAWDFIFMLFM-CQSZACIVSA-N 0 1 391.432 -1.297 20 0 GAADMN O=C(Cc1cc[nH]n1)NC[C@@H](O)CNC(=O)C1(Cc2c[nH]nn2)CCOCC1 ZINC001577963932 1075373625 /nfs/dbraw/zinc/37/36/25/1075373625.db2.gz UDPLAWDFIFMLFM-CQSZACIVSA-N 0 1 391.432 -1.297 20 0 GAADMN O=C(Cc1ccon1)NC[C@@H](CO)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577963946 1075373447 /nfs/dbraw/zinc/37/34/47/1075373447.db2.gz ULZXFSNTLUWUJA-HNNXBMFYSA-N 0 1 391.432 -1.159 20 0 GAADMN O=C(Cc1ccon1)NC[C@H](CO)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577963947 1075373539 /nfs/dbraw/zinc/37/35/39/1075373539.db2.gz ULZXFSNTLUWUJA-OAHLLOKOSA-N 0 1 391.432 -1.159 20 0 GAADMN O=C(Cc1cncs1)NCCN1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577965050 1075373650 /nfs/dbraw/zinc/37/36/50/1075373650.db2.gz JDSJGEUPSBFCFD-UHFFFAOYSA-N 0 1 392.489 -1.146 20 0 GAADMN O=C(Cc1nc[nH]n1)NCC1(O)CN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001577965360 1075373589 /nfs/dbraw/zinc/37/35/89/1075373589.db2.gz BECFRMVVFIKKKF-UHFFFAOYSA-N 0 1 383.372 -1.469 20 0 GAADMN O=C(Cc1ncc[nH]1)N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C[C@@H]1O ZINC001577965444 1075373467 /nfs/dbraw/zinc/37/34/67/1075373467.db2.gz DGPZTOXYOATFMP-RDBSUJKOSA-N 0 1 388.432 -1.577 20 0 GAADMN O=C(Cc1cscn1)NC[C@@H]1CN(CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577965564 1075373485 /nfs/dbraw/zinc/37/34/85/1075373485.db2.gz DXTMDUOMARULPR-CYBMUJFWSA-N 0 1 379.446 -1.063 20 0 GAADMN O=C(Cc1cscn1)NC[C@H]1CN(CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577965566 1075373438 /nfs/dbraw/zinc/37/34/38/1075373438.db2.gz DXTMDUOMARULPR-ZDUSSCGKSA-N 0 1 379.446 -1.063 20 0 GAADMN O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(CCO)CC[NH2+]CCc1c[nH]nn1 ZINC001577965584 1075373497 /nfs/dbraw/zinc/37/34/97/1075373497.db2.gz FFTGZZGHKYRXJR-UHFFFAOYSA-N 0 1 375.393 -2.158 20 0 GAADMN O=C(Cc1c[nH]cn1)N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C[C@H]1O ZINC001577966116 1075374096 /nfs/dbraw/zinc/37/40/96/1075374096.db2.gz WLQCZQHTZCPLMW-QLFBSQMISA-N 0 1 388.432 -1.577 20 0 GAADMN O=C(Cc1ncc[nH]1)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577966541 1075374064 /nfs/dbraw/zinc/37/40/64/1075374064.db2.gz PIWDSVJROZMXGB-OLZOCXBDSA-N 0 1 376.421 -1.672 20 0 GAADMN O=C(Cc1ncc[nH]1)N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577966542 1075373968 /nfs/dbraw/zinc/37/39/68/1075373968.db2.gz PIWDSVJROZMXGB-STQMWFEESA-N 0 1 376.421 -1.672 20 0 GAADMN O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CC(=O)N(C2CN(Cc3c[nH]nn3)C2)C1 ZINC001577967436 1075374057 /nfs/dbraw/zinc/37/40/57/1075374057.db2.gz DGAAPRIYOWYMRM-GFCCVEGCSA-N 0 1 385.432 -1.125 20 0 GAADMN O=C(Cn1cc(C2CC2)nn1)N[C@H]1CC(=O)N(C2CN(Cc3c[nH]nn3)C2)C1 ZINC001577967437 1075373896 /nfs/dbraw/zinc/37/38/96/1075373896.db2.gz DGAAPRIYOWYMRM-LBPRGKRZSA-N 0 1 385.432 -1.125 20 0 GAADMN O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@]1(O)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001577967520 1075374089 /nfs/dbraw/zinc/37/40/89/1075374089.db2.gz DYFAYJKNJGDWIK-INIZCTEOSA-N 0 1 387.404 -2.015 20 0 GAADMN O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@]1(O)CC[N@H+](CCc2cn[nH]n2)C1 ZINC001577967520 1075374084 /nfs/dbraw/zinc/37/40/84/1075374084.db2.gz DYFAYJKNJGDWIK-INIZCTEOSA-N 0 1 387.404 -2.015 20 0 GAADMN O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@]1(O)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001577967520 1075374079 /nfs/dbraw/zinc/37/40/79/1075374079.db2.gz DYFAYJKNJGDWIK-INIZCTEOSA-N 0 1 387.404 -2.015 20 0 GAADMN O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@]1(O)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001577967521 1075373886 /nfs/dbraw/zinc/37/38/86/1075373886.db2.gz DYFAYJKNJGDWIK-MRXNPFEDSA-N 0 1 387.404 -2.015 20 0 GAADMN O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@]1(O)CC[N@H+](CCc2cn[nH]n2)C1 ZINC001577967521 1075373883 /nfs/dbraw/zinc/37/38/83/1075373883.db2.gz DYFAYJKNJGDWIK-MRXNPFEDSA-N 0 1 387.404 -2.015 20 0 GAADMN O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@]1(O)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001577967521 1075373878 /nfs/dbraw/zinc/37/38/78/1075373878.db2.gz DYFAYJKNJGDWIK-MRXNPFEDSA-N 0 1 387.404 -2.015 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1O ZINC001577967740 1075373994 /nfs/dbraw/zinc/37/39/94/1075373994.db2.gz JDARBYWVSZMBJD-VXGBXAGGSA-N 0 1 391.388 -2.222 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CN(C(=O)CCCc2c[nH]nn2)C[C@H]1O ZINC001577967740 1075373986 /nfs/dbraw/zinc/37/39/86/1075373986.db2.gz JDARBYWVSZMBJD-VXGBXAGGSA-N 0 1 391.388 -2.222 20 0 GAADMN O=C(Cn1ccccc1=O)N1CC(n2cc(CNCCc3cn[nH]n3)nn2)C1 ZINC001577967875 1075374403 /nfs/dbraw/zinc/37/44/03/1075374403.db2.gz KYKQLBXIVYRASJ-UHFFFAOYSA-N 0 1 383.416 -1.026 20 0 GAADMN O=C(Cn1ccccc1=O)NCC1(O)CN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577967918 1075374304 /nfs/dbraw/zinc/37/43/04/1075374304.db2.gz LQMSOMGGXSNBLO-UHFFFAOYSA-N 0 1 390.400 -1.737 20 0 GAADMN O=C(Cn1cccn1)NCCN1CCN(C(=O)CCOCc2c[nH]nn2)CC1 ZINC001577968010 1075374474 /nfs/dbraw/zinc/37/44/74/1075374474.db2.gz OCGXPQFCZMSGHD-UHFFFAOYSA-N 0 1 390.448 -1.132 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CCN1C(=O)CCCc1cnn[nH]1 ZINC001577968161 1075374350 /nfs/dbraw/zinc/37/43/50/1075374350.db2.gz TXDHECNJMVXVBW-GFCCVEGCSA-N 0 1 375.389 -1.193 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CCN1C(=O)CCCc1c[nH]nn1 ZINC001577968161 1075374340 /nfs/dbraw/zinc/37/43/40/1075374340.db2.gz TXDHECNJMVXVBW-GFCCVEGCSA-N 0 1 375.389 -1.193 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1CCN1C(=O)CCCc1cnn[nH]1 ZINC001577968162 1075374370 /nfs/dbraw/zinc/37/43/70/1075374370.db2.gz TXDHECNJMVXVBW-LBPRGKRZSA-N 0 1 375.389 -1.193 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1CCN1C(=O)CCCc1c[nH]nn1 ZINC001577968162 1075374362 /nfs/dbraw/zinc/37/43/62/1075374362.db2.gz TXDHECNJMVXVBW-LBPRGKRZSA-N 0 1 375.389 -1.193 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N1CCOC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001577968241 1075374328 /nfs/dbraw/zinc/37/43/28/1075374328.db2.gz XAGKXWKTBXYXNG-UHFFFAOYSA-N 0 1 375.389 -1.777 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1COC2(CN(C(=O)CCCc3cnn[nH]3)C2)C1 ZINC001577968252 1075374516 /nfs/dbraw/zinc/37/45/16/1075374516.db2.gz ALKYENASPCLWRA-GFCCVEGCSA-N 0 1 375.393 -1.700 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1COC2(CN(C(=O)CCCc3c[nH]nn3)C2)C1 ZINC001577968252 1075374512 /nfs/dbraw/zinc/37/45/12/1075374512.db2.gz ALKYENASPCLWRA-GFCCVEGCSA-N 0 1 375.393 -1.700 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1COC2(CN(C(=O)CCCc3cnn[nH]3)C2)C1 ZINC001577968253 1075374430 /nfs/dbraw/zinc/37/44/30/1075374430.db2.gz ALKYENASPCLWRA-LBPRGKRZSA-N 0 1 375.393 -1.700 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1COC2(CN(C(=O)CCCc3c[nH]nn3)C2)C1 ZINC001577968253 1075374425 /nfs/dbraw/zinc/37/44/25/1075374425.db2.gz ALKYENASPCLWRA-LBPRGKRZSA-N 0 1 375.393 -1.700 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577968427 1075374458 /nfs/dbraw/zinc/37/44/58/1075374458.db2.gz CMALZWYBOJUFNQ-JSGCOSHPSA-N 0 1 388.436 -1.437 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577968429 1075374539 /nfs/dbraw/zinc/37/45/39/1075374539.db2.gz CMALZWYBOJUFNQ-OCCSQVGLSA-N 0 1 388.436 -1.437 20 0 GAADMN O=C(Cn1ccnc1)NC[C@@H](CO)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577968481 1075374493 /nfs/dbraw/zinc/37/44/93/1075374493.db2.gz BIONGDXYUUZTDZ-HNNXBMFYSA-N 0 1 390.448 -1.493 20 0 GAADMN O=C(Cn1ccnc1)NC[C@H](CO)NC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577968482 1075374891 /nfs/dbraw/zinc/37/48/91/1075374891.db2.gz BIONGDXYUUZTDZ-OAHLLOKOSA-N 0 1 390.448 -1.493 20 0 GAADMN O=C(CCOCc1c[nH]nn1)NC1(CNC(=O)Cn2cncn2)CCOCC1 ZINC001577968664 1075374970 /nfs/dbraw/zinc/37/49/70/1075374970.db2.gz FJGDLMCDXKOMSS-UHFFFAOYSA-N 0 1 392.420 -1.215 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC2(C1)CN(C(=O)Cn1cnnn1)CCO2 ZINC001577968709 1075374874 /nfs/dbraw/zinc/37/48/74/1075374874.db2.gz GTMDQQSJOXLZFP-UHFFFAOYSA-N 0 1 391.392 -2.162 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@@H](N2C(=O)O[C@H]3CN(Cc4c[nH]nn4)C[C@H]32)C1 ZINC001577968928 1075374856 /nfs/dbraw/zinc/37/48/56/1075374856.db2.gz JGCYVCZMODRRFT-UPJWGTAASA-N 0 1 388.392 -1.903 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@H](N2C(=O)O[C@H]3CN(Cc4c[nH]nn4)C[C@H]32)C1 ZINC001577968932 1075374811 /nfs/dbraw/zinc/37/48/11/1075374811.db2.gz JGCYVCZMODRRFT-XQQFMLRXSA-N 0 1 388.392 -1.903 20 0 GAADMN O=C(Cn1cnnn1)N1CCC(N(Cc2c[nH]nn2)C(=O)c2cn[nH]n2)CC1 ZINC001577968981 1075374824 /nfs/dbraw/zinc/37/48/24/1075374824.db2.gz JUAZDUUYOSWCJK-UHFFFAOYSA-N 0 1 386.380 -1.757 20 0 GAADMN O=C(Cn1nccn1)N1CCC(N(Cc2c[nH]nn2)C(=O)c2nc[nH]n2)CC1 ZINC001577969016 1075374963 /nfs/dbraw/zinc/37/49/63/1075374963.db2.gz KUZRGTWACWPMOV-UHFFFAOYSA-N 0 1 385.392 -1.152 20 0 GAADMN O=C(CCCc1cnn[nH]1)N1CC2(C1)CN(C(=O)Cn1ncnn1)CCO2 ZINC001577969031 1075374914 /nfs/dbraw/zinc/37/49/14/1075374914.db2.gz KAHWAWGYZIAYPU-UHFFFAOYSA-N 0 1 375.393 -1.746 20 0 GAADMN O=C(CCCc1c[nH]nn1)N1CC2(C1)CN(C(=O)Cn1ncnn1)CCO2 ZINC001577969031 1075374911 /nfs/dbraw/zinc/37/49/11/1075374911.db2.gz KAHWAWGYZIAYPU-UHFFFAOYSA-N 0 1 375.393 -1.746 20 0 GAADMN O=C(Cn1ncn2nccc2c1=O)N1C[C@H]2CCN(CCc3cn[nH]n3)C[C@H]21 ZINC001577969037 1075374800 /nfs/dbraw/zinc/37/48/00/1075374800.db2.gz KBRLXFHCLOFOGE-IUODEOHRSA-N 0 1 383.416 -1.216 20 0 GAADMN O=C(Cn1ncnn1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577969053 1075374949 /nfs/dbraw/zinc/37/49/49/1075374949.db2.gz KWTGLVKFKFPYFI-SCRDCRAPSA-N 0 1 388.436 -1.533 20 0 GAADMN O=C(Cn1ncnn1)NCCCNC(=O)c1cccnc1OCc1c[nH]nn1 ZINC001577969107 1075374957 /nfs/dbraw/zinc/37/49/57/1075374957.db2.gz MRKDCZMCVOKYGV-UHFFFAOYSA-N 0 1 386.376 -1.299 20 0 GAADMN O=C(Cn1cnnn1)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CCCO2)CC1 ZINC001577969205 1075374901 /nfs/dbraw/zinc/37/49/01/1075374901.db2.gz LYSNFHSDNOAZFZ-AWEZNQCLSA-N 0 1 389.420 -1.010 20 0 GAADMN O=C(Cn1cnnn1)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CCCO2)CC1 ZINC001577969207 1075374842 /nfs/dbraw/zinc/37/48/42/1075374842.db2.gz LYSNFHSDNOAZFZ-CQSZACIVSA-N 0 1 389.420 -1.010 20 0 GAADMN O=C(Cn1cncn1)N[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C[C@H]1O ZINC001577969282 1075374884 /nfs/dbraw/zinc/37/48/84/1075374884.db2.gz NFSZTOIZKCNLRS-CHWSQXEVSA-N 0 1 378.393 -1.919 20 0 GAADMN O=C(Cn1cncn1)N[C@@H]1CCN(C(=O)CCOCc2c[nH]nn2)C[C@@H]1O ZINC001577969283 1075374935 /nfs/dbraw/zinc/37/49/35/1075374935.db2.gz NFSZTOIZKCNLRS-OLZOCXBDSA-N 0 1 378.393 -1.919 20 0 GAADMN O=C(Cn1cncn1)N[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C[C@H]1O ZINC001577969284 1075374770 /nfs/dbraw/zinc/37/47/70/1075374770.db2.gz NFSZTOIZKCNLRS-QWHCGFSZSA-N 0 1 378.393 -1.919 20 0 GAADMN O=C(Cn1cncn1)N[C@H]1CCN(C(=O)CCOCc2c[nH]nn2)C[C@@H]1O ZINC001577969286 1075374867 /nfs/dbraw/zinc/37/48/67/1075374867.db2.gz NFSZTOIZKCNLRS-STQMWFEESA-N 0 1 378.393 -1.919 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N[C@@H]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001577969331 1075374924 /nfs/dbraw/zinc/37/49/24/1075374924.db2.gz OJPGOZKLWGWUCK-NWDGAFQWSA-N 0 1 377.409 -1.201 20 0 GAADMN O=C(Cn1ncnn1)N[C@@]1(CO)CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001577969406 1075375189 /nfs/dbraw/zinc/37/51/89/1075375189.db2.gz PPCOVQVXGNOBLJ-HNNXBMFYSA-N 0 1 377.409 -1.716 20 0 GAADMN O=C(Cn1ncnn1)N[C@@]1(CO)CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001577969406 1075375179 /nfs/dbraw/zinc/37/51/79/1075375179.db2.gz PPCOVQVXGNOBLJ-HNNXBMFYSA-N 0 1 377.409 -1.716 20 0 GAADMN O=C(Cn1ncnn1)N[C@]1(CO)CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001577969407 1075375124 /nfs/dbraw/zinc/37/51/24/1075375124.db2.gz PPCOVQVXGNOBLJ-OAHLLOKOSA-N 0 1 377.409 -1.716 20 0 GAADMN O=C(Cn1ncnn1)N[C@]1(CO)CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001577969407 1075375117 /nfs/dbraw/zinc/37/51/17/1075375117.db2.gz PPCOVQVXGNOBLJ-OAHLLOKOSA-N 0 1 377.409 -1.716 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@@H](C(=O)N2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577969424 1075375436 /nfs/dbraw/zinc/37/54/36/1075375436.db2.gz PTOUNIHWJWZPTD-CYBMUJFWSA-N 0 1 388.436 -1.626 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@H](C(=O)N2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577969425 1075375329 /nfs/dbraw/zinc/37/53/29/1075375329.db2.gz PTOUNIHWJWZPTD-ZDUSSCGKSA-N 0 1 388.436 -1.626 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001577969497 1075375342 /nfs/dbraw/zinc/37/53/42/1075375342.db2.gz OVWKOHUNNHOSNJ-WCQYABFASA-N 0 1 375.393 -1.543 20 0 GAADMN O=C(CCCc1cnn[nH]1)NC1(CNC(=O)Cn2cnnn2)CCOCC1 ZINC001577969498 1075375316 /nfs/dbraw/zinc/37/53/16/1075375316.db2.gz OXOXUNJWECHTQA-UHFFFAOYSA-N 0 1 377.409 -1.404 20 0 GAADMN O=C(CCCc1c[nH]nn1)NC1(CNC(=O)Cn2cnnn2)CCOCC1 ZINC001577969498 1075375307 /nfs/dbraw/zinc/37/53/07/1075375307.db2.gz OXOXUNJWECHTQA-UHFFFAOYSA-N 0 1 377.409 -1.404 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577969527 1075375404 /nfs/dbraw/zinc/37/54/04/1075375404.db2.gz PMDUIMTWCNLVGM-OCCSQVGLSA-N 0 1 388.436 -1.437 20 0 GAADMN O=C(CNC(=O)Cn1cncn1)N[C@H]1CCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001577969604 1075375211 /nfs/dbraw/zinc/37/52/11/1075375211.db2.gz RGQMCROTLHLQNW-ZDUSSCGKSA-N 0 1 389.420 -1.748 20 0 GAADMN O=C(CNC(=O)Cn1cncn1)N[C@H]1CCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001577969604 1075375206 /nfs/dbraw/zinc/37/52/06/1075375206.db2.gz RGQMCROTLHLQNW-ZDUSSCGKSA-N 0 1 389.420 -1.748 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1[C@@H]2CC[C@H]1CN(C(=O)Cn1ncnn1)CC2 ZINC001577969675 1075375291 /nfs/dbraw/zinc/37/52/91/1075375291.db2.gz RUYFHMBMQWLIGO-KGLIPLIRSA-N 0 1 389.420 -1.010 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1CN(C(=O)CCCCCc2cn[nH]n2)C[C@H]1O ZINC001577969701 1075375227 /nfs/dbraw/zinc/37/52/27/1075375227.db2.gz SZCAYSNHRDOKSH-CHWSQXEVSA-N 0 1 377.409 -1.718 20 0 GAADMN O=C(Cn1ncnn1)N1CCC(N(Cc2c[nH]nn2)C(=O)c2cnon2)CC1 ZINC001577969730 1075375279 /nfs/dbraw/zinc/37/52/79/1075375279.db2.gz UXKURRUWBGPFQE-UHFFFAOYSA-N 0 1 387.364 -1.492 20 0 GAADMN O=C(Cn1cnnn1)NC1(CCO)CN(C(=O)C2(Cc3cnn[nH]3)CCC2)C1 ZINC001577969873 1075375426 /nfs/dbraw/zinc/37/54/26/1075375426.db2.gz USFWMPLXEQKCST-UHFFFAOYSA-N 0 1 389.420 -1.716 20 0 GAADMN O=C(Cn1cnnn1)NC1(CCO)CN(C(=O)C2(Cc3c[nH]nn3)CCC2)C1 ZINC001577969873 1075375420 /nfs/dbraw/zinc/37/54/20/1075375420.db2.gz USFWMPLXEQKCST-UHFFFAOYSA-N 0 1 389.420 -1.716 20 0 GAADMN O=C(CN1CN=NC1=O)N[C@@H](CO)CNC(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001577969899 1075375259 /nfs/dbraw/zinc/37/52/59/1075375259.db2.gz VMEMUASVTWGUNJ-GFCCVEGCSA-N 0 1 386.372 -1.324 20 0 GAADMN O=C(CN1CN=NC1=O)N[C@H](CO)CNC(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001577969901 1075375383 /nfs/dbraw/zinc/37/53/83/1075375383.db2.gz VMEMUASVTWGUNJ-LBPRGKRZSA-N 0 1 386.372 -1.324 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1[C@@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)C2 ZINC001577969917 1075375453 /nfs/dbraw/zinc/37/54/53/1075375453.db2.gz VXHBSDHQPOBCFY-BETUJISGSA-N 0 1 375.393 -1.400 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)C[C@@H]1O ZINC001577969925 1075375150 /nfs/dbraw/zinc/37/51/50/1075375150.db2.gz WFGZYMCDNDSSRB-NEPJUHHUSA-N 0 1 375.393 -2.108 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CN(C(=O)C2(Cc3c[nH]nn3)CCC2)C[C@@H]1O ZINC001577969925 1075375143 /nfs/dbraw/zinc/37/51/43/1075375143.db2.gz WFGZYMCDNDSSRB-NEPJUHHUSA-N 0 1 375.393 -2.108 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCOCc1c[nH]nn1)C2 ZINC001577969939 1075375372 /nfs/dbraw/zinc/37/53/72/1075375372.db2.gz VBPYKFYUTXYHQW-OBJOEFQTSA-N 0 1 389.420 -1.106 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCOCc1c[nH]nn1)C2 ZINC001577969940 1075375238 /nfs/dbraw/zinc/37/52/38/1075375238.db2.gz VBPYKFYUTXYHQW-SCRDCRAPSA-N 0 1 389.420 -1.106 20 0 GAADMN O=C(Cn1ncnn1)N1CCC(N(Cc2c[nH]nn2)C(=O)c2cn[nH]n2)CC1 ZINC001577969941 1075375164 /nfs/dbraw/zinc/37/51/64/1075375164.db2.gz VCJDHEFVDREZII-UHFFFAOYSA-N 0 1 386.380 -1.757 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001577969942 1075375356 /nfs/dbraw/zinc/37/53/56/1075375356.db2.gz VFXBSMKJRYOMKY-GXTWGEPZSA-N 0 1 389.420 -1.153 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001577969943 1075375699 /nfs/dbraw/zinc/37/56/99/1075375699.db2.gz VFXBSMKJRYOMKY-JSGCOSHPSA-N 0 1 389.420 -1.153 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001577969944 1075375766 /nfs/dbraw/zinc/37/57/66/1075375766.db2.gz VFXBSMKJRYOMKY-OCCSQVGLSA-N 0 1 389.420 -1.153 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001577969945 1075375780 /nfs/dbraw/zinc/37/57/80/1075375780.db2.gz VFXBSMKJRYOMKY-TZMCWYRMSA-N 0 1 389.420 -1.153 20 0 GAADMN O=C(Cn1ncnn1)NC[C@@]1(O)CCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC001577969954 1075375705 /nfs/dbraw/zinc/37/57/05/1075375705.db2.gz VNOHJIXDWSNJFQ-HNNXBMFYSA-N 0 1 377.409 -1.716 20 0 GAADMN O=C(Cn1ncnn1)NC[C@]1(O)CCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC001577969955 1075375678 /nfs/dbraw/zinc/37/56/78/1075375678.db2.gz VNOHJIXDWSNJFQ-OAHLLOKOSA-N 0 1 377.409 -1.716 20 0 GAADMN O=C(CN1CN=NC1=O)NC[C@H]1CCCN1C(=O)CCOCc1c[nH]nn1 ZINC001577970101 1075375730 /nfs/dbraw/zinc/37/57/30/1075375730.db2.gz YBOLCCZJJORVLL-GFCCVEGCSA-N 0 1 378.393 -1.184 20 0 GAADMN O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577970130 1075375832 /nfs/dbraw/zinc/37/58/32/1075375832.db2.gz ZDIGJGANUGJFFY-JSGCOSHPSA-N 0 1 388.436 -1.580 20 0 GAADMN O=C(Cn1cnnn1)NC[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577970131 1075375755 /nfs/dbraw/zinc/37/57/55/1075375755.db2.gz ZDIGJGANUGJFFY-OCCSQVGLSA-N 0 1 388.436 -1.580 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577970276 1075375689 /nfs/dbraw/zinc/37/56/89/1075375689.db2.gz YMEKUAGZXBQGRE-ZDUSSCGKSA-N 0 1 388.436 -1.580 20 0 GAADMN O=C(Cn1ncnn1)NCCCNC(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001577970278 1075375723 /nfs/dbraw/zinc/37/57/23/1075375723.db2.gz YMSLJDZLRBMRKM-UHFFFAOYSA-N 0 1 376.425 -1.674 20 0 GAADMN O=C(NC1(CCO)CN(C(=O)c2nc[nH]n2)C1)c1ccc(-c2cn[nH]n2)cn1 ZINC001577971136 1075375820 /nfs/dbraw/zinc/37/58/20/1075375820.db2.gz OMZIKTJDEITSOE-UHFFFAOYSA-N 0 1 383.372 -1.008 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)[C@H]1COCCO1)c1cncc(-c2cn[nH]n2)c1 ZINC001577974461 1075375742 /nfs/dbraw/zinc/37/57/42/1075375742.db2.gz HAXNSJSCLFFYEH-GXTWGEPZSA-N 0 1 376.373 -1.511 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)[C@@H]1COCCO1)c1cncc(-c2cn[nH]n2)c1 ZINC001577974462 1075375788 /nfs/dbraw/zinc/37/57/88/1075375788.db2.gz HAXNSJSCLFFYEH-JSGCOSHPSA-N 0 1 376.373 -1.511 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)[C@@H]1COCCO1)c1cncc(-c2cn[nH]n2)c1 ZINC001577974463 1075375714 /nfs/dbraw/zinc/37/57/14/1075375714.db2.gz HAXNSJSCLFFYEH-OCCSQVGLSA-N 0 1 376.373 -1.511 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)[C@H]1COCCO1)c1cncc(-c2cn[nH]n2)c1 ZINC001577974464 1075375735 /nfs/dbraw/zinc/37/57/35/1075375735.db2.gz HAXNSJSCLFFYEH-TZMCWYRMSA-N 0 1 376.373 -1.511 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1cnco1 ZINC001577974637 1075375796 /nfs/dbraw/zinc/37/57/96/1075375796.db2.gz JWNPZDWJEVQPJR-CYBMUJFWSA-N 0 1 377.405 -1.088 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1cnco1 ZINC001577974638 1075375772 /nfs/dbraw/zinc/37/57/72/1075375772.db2.gz JWNPZDWJEVQPJR-ZDUSSCGKSA-N 0 1 377.405 -1.088 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1ncccn1 ZINC001577974673 1075375806 /nfs/dbraw/zinc/37/58/06/1075375806.db2.gz KUYVWHDDZGYVTN-AWEZNQCLSA-N 0 1 388.432 -1.286 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1ncccn1 ZINC001577974674 1075375760 /nfs/dbraw/zinc/37/57/60/1075375760.db2.gz KUYVWHDDZGYVTN-CQSZACIVSA-N 0 1 388.432 -1.286 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)c1cnc[nH]c1=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577974681 1075376038 /nfs/dbraw/zinc/37/60/38/1075376038.db2.gz KWDBVCDIFSVPGW-LLVKDONJSA-N 0 1 384.356 -1.117 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)c1cnc[nH]c1=O)c1cncc(-c2cn[nH]n2)c1 ZINC001577974682 1075376304 /nfs/dbraw/zinc/37/63/04/1075376304.db2.gz KWDBVCDIFSVPGW-NSHDSACASA-N 0 1 384.356 -1.117 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1ncc[nH]1 ZINC001577975081 1075376012 /nfs/dbraw/zinc/37/60/12/1075376012.db2.gz PLUNWWPALRYMBA-CYBMUJFWSA-N 0 1 376.421 -1.353 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1ncc[nH]1 ZINC001577975082 1075376141 /nfs/dbraw/zinc/37/61/41/1075376141.db2.gz PLUNWWPALRYMBA-ZDUSSCGKSA-N 0 1 376.421 -1.353 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1cn[nH]c1 ZINC001577975227 1075376288 /nfs/dbraw/zinc/37/62/88/1075376288.db2.gz QPXKIYNFUDNLKF-AWEZNQCLSA-N 0 1 376.421 -1.353 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1cn[nH]c1 ZINC001577975228 1075376339 /nfs/dbraw/zinc/37/63/39/1075376339.db2.gz QPXKIYNFUDNLKF-CQSZACIVSA-N 0 1 376.421 -1.353 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1ccnnc1 ZINC001577975548 1075376104 /nfs/dbraw/zinc/37/61/04/1075376104.db2.gz STAJIEHLNLJYMQ-HNNXBMFYSA-N 0 1 388.432 -1.286 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)c1ccnnc1 ZINC001577975551 1075376000 /nfs/dbraw/zinc/37/60/00/1075376000.db2.gz STAJIEHLNLJYMQ-OAHLLOKOSA-N 0 1 388.432 -1.286 20 0 GAADMN CCN(CCNC(=O)CCS(=O)(=O)NC)c1ccnc(-c2nn[nH]n2)n1 ZINC001577976293 1075376328 /nfs/dbraw/zinc/37/63/28/1075376328.db2.gz PNMPUUBOLCWWAC-UHFFFAOYSA-N 0 1 383.438 -1.462 20 0 GAADMN O=C(N[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1ncccc1O ZINC001577976704 1075376027 /nfs/dbraw/zinc/37/60/27/1075376027.db2.gz ZPQZQWJJCRBKRM-OLZOCXBDSA-N 0 1 389.416 -1.223 20 0 GAADMN O=C(N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1ncccc1O ZINC001577976706 1075376057 /nfs/dbraw/zinc/37/60/57/1075376057.db2.gz ZPQZQWJJCRBKRM-STQMWFEESA-N 0 1 389.416 -1.223 20 0 GAADMN CCN(CCNC(=O)CCNS(C)(=O)=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001577976711 1075376122 /nfs/dbraw/zinc/37/61/22/1075376122.db2.gz XWBISMBJKYABBR-UHFFFAOYSA-N 0 1 383.438 -1.462 20 0 GAADMN O=C(N[C@]1(CO)CCCN(Cc2c[nH]nn2)C1)[C@H]1CCc2nnnn2CC1 ZINC001577978144 1075376664 /nfs/dbraw/zinc/37/66/64/1075376664.db2.gz ZVARZIQTGXSOAU-BLLLJJGKSA-N 0 1 375.437 -1.113 20 0 GAADMN O=C(N[C@@]1(CO)CCCN(Cc2c[nH]nn2)C1)[C@H]1CCc2nnnn2CC1 ZINC001577978149 1075376726 /nfs/dbraw/zinc/37/67/26/1075376726.db2.gz ZVARZIQTGXSOAU-LRDDRELGSA-N 0 1 375.437 -1.113 20 0 GAADMN O=C(N[C@]1(CO)CCCN(Cc2c[nH]nn2)C1)[C@@H]1CCc2nnnn2CC1 ZINC001577978151 1075376575 /nfs/dbraw/zinc/37/65/75/1075376575.db2.gz ZVARZIQTGXSOAU-MLGOLLRUSA-N 0 1 375.437 -1.113 20 0 GAADMN O=C(N[C@@]1(CO)CCCN(Cc2c[nH]nn2)C1)[C@@H]1CCc2nnnn2CC1 ZINC001577978153 1075376755 /nfs/dbraw/zinc/37/67/55/1075376755.db2.gz ZVARZIQTGXSOAU-WBMJQRKESA-N 0 1 375.437 -1.113 20 0 GAADMN O=C(Cn1cnnn1)N1CCC[C@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577980543 1075376709 /nfs/dbraw/zinc/37/67/09/1075376709.db2.gz HQBRYOGAJPRHID-JSGCOSHPSA-N 0 1 388.436 -1.437 20 0 GAADMN O=C(Cn1cnnn1)N1CCC[C@@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577980546 1075376744 /nfs/dbraw/zinc/37/67/44/1075376744.db2.gz HQBRYOGAJPRHID-OCCSQVGLSA-N 0 1 388.436 -1.437 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001577984807 1075376559 /nfs/dbraw/zinc/37/65/59/1075376559.db2.gz DRFSIQSESXJVAR-GXTWGEPZSA-N 0 1 375.389 -1.107 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001577984811 1075376719 /nfs/dbraw/zinc/37/67/19/1075376719.db2.gz DRFSIQSESXJVAR-JSGCOSHPSA-N 0 1 375.389 -1.107 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001577984812 1075376677 /nfs/dbraw/zinc/37/66/77/1075376677.db2.gz DRFSIQSESXJVAR-OCCSQVGLSA-N 0 1 375.389 -1.107 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001577984813 1075376547 /nfs/dbraw/zinc/37/65/47/1075376547.db2.gz DRFSIQSESXJVAR-TZMCWYRMSA-N 0 1 375.389 -1.107 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001577985073 1075376516 /nfs/dbraw/zinc/37/65/16/1075376516.db2.gz GQUKOTMJFGWVLF-NEPJUHHUSA-N 0 1 381.368 -1.035 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001577985074 1075376696 /nfs/dbraw/zinc/37/66/96/1075376696.db2.gz GQUKOTMJFGWVLF-NWDGAFQWSA-N 0 1 381.368 -1.035 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001577985075 1075376634 /nfs/dbraw/zinc/37/66/34/1075376634.db2.gz GQUKOTMJFGWVLF-RYUDHWBXSA-N 0 1 381.368 -1.035 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC001577985076 1075376536 /nfs/dbraw/zinc/37/65/36/1075376536.db2.gz GQUKOTMJFGWVLF-VXGBXAGGSA-N 0 1 381.368 -1.035 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001577985757 1075376734 /nfs/dbraw/zinc/37/67/34/1075376734.db2.gz PPMWIWSUPRVRMA-NEPJUHHUSA-N 0 1 385.446 -1.137 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001577985758 1075377015 /nfs/dbraw/zinc/37/70/15/1075377015.db2.gz PPMWIWSUPRVRMA-NWDGAFQWSA-N 0 1 385.446 -1.137 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001577985759 1075377111 /nfs/dbraw/zinc/37/71/11/1075377111.db2.gz PPMWIWSUPRVRMA-RYUDHWBXSA-N 0 1 385.446 -1.137 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001577985760 1075376941 /nfs/dbraw/zinc/37/69/41/1075376941.db2.gz PPMWIWSUPRVRMA-VXGBXAGGSA-N 0 1 385.446 -1.137 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001577985766 1075377183 /nfs/dbraw/zinc/37/71/83/1075377183.db2.gz PXNNKUKVXVTGIT-CABCVRRESA-N 0 1 390.400 -1.263 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001577985767 1075376953 /nfs/dbraw/zinc/37/69/53/1075376953.db2.gz PXNNKUKVXVTGIT-GJZGRUSLSA-N 0 1 390.400 -1.263 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001577985768 1075376969 /nfs/dbraw/zinc/37/69/69/1075376969.db2.gz PXNNKUKVXVTGIT-HUUCEWRRSA-N 0 1 390.400 -1.263 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001577985769 1075376916 /nfs/dbraw/zinc/37/69/16/1075376916.db2.gz PXNNKUKVXVTGIT-LSDHHAIUSA-N 0 1 390.400 -1.263 20 0 GAADMN O=C(NC1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C1)c1ccc(-c2cn[nH]n2)cn1 ZINC001577985872 1075377080 /nfs/dbraw/zinc/37/70/80/1075377080.db2.gz AGOAOYQQBPCLGT-GFCCVEGCSA-N 0 1 391.413 -1.501 20 0 GAADMN O=C(NC1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1)c1ccc(-c2cn[nH]n2)cn1 ZINC001577985873 1075377031 /nfs/dbraw/zinc/37/70/31/1075377031.db2.gz AGOAOYQQBPCLGT-LBPRGKRZSA-N 0 1 391.413 -1.501 20 0 GAADMN O=C(CN1CCCC1=O)N1CC(NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001577986579 1075377064 /nfs/dbraw/zinc/37/70/64/1075377064.db2.gz AYHBCFZXDGPFHG-AWEZNQCLSA-N 0 1 375.433 -1.282 20 0 GAADMN O=C(NC[C@@H](CO)NC(=O)c1ccc(=O)[nH]n1)c1ccc(-c2cn[nH]n2)cn1 ZINC001577987190 1075377100 /nfs/dbraw/zinc/37/71/00/1075377100.db2.gz IHUQSZSQRJAJQR-JTQLQIEISA-N 0 1 384.356 -1.117 20 0 GAADMN O=C(NC[C@H](CO)NC(=O)c1ccc(=O)[nH]n1)c1ccc(-c2cn[nH]n2)cn1 ZINC001577987192 1075377120 /nfs/dbraw/zinc/37/71/20/1075377120.db2.gz IHUQSZSQRJAJQR-SNVBAGLBSA-N 0 1 384.356 -1.117 20 0 GAADMN O=C(NC[C@H](CO)NC(=O)C1(Cc2cnn[nH]2)CCOCC1)c1ccn[nH]1 ZINC001577988464 1075377052 /nfs/dbraw/zinc/37/70/52/1075377052.db2.gz OJUJNSWSGFWSKH-GFCCVEGCSA-N 0 1 377.405 -1.226 20 0 GAADMN O=C(NC[C@H](CO)NC(=O)C1(Cc2c[nH]nn2)CCOCC1)c1ccn[nH]1 ZINC001577988464 1075377045 /nfs/dbraw/zinc/37/70/45/1075377045.db2.gz OJUJNSWSGFWSKH-GFCCVEGCSA-N 0 1 377.405 -1.226 20 0 GAADMN O=C(NC[C@@H](CO)NC(=O)C1(Cc2cnn[nH]2)CCOCC1)c1ccn[nH]1 ZINC001577988467 1075376998 /nfs/dbraw/zinc/37/69/98/1075376998.db2.gz OJUJNSWSGFWSKH-LBPRGKRZSA-N 0 1 377.405 -1.226 20 0 GAADMN O=C(NC[C@@H](CO)NC(=O)C1(Cc2c[nH]nn2)CCOCC1)c1ccn[nH]1 ZINC001577988467 1075376989 /nfs/dbraw/zinc/37/69/89/1075376989.db2.gz OJUJNSWSGFWSKH-LBPRGKRZSA-N 0 1 377.405 -1.226 20 0 GAADMN O=C(NC[C@@H](O)CNCc1nnnn1C1CC1)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577988486 1075377461 /nfs/dbraw/zinc/37/74/61/1075377461.db2.gz GBCVJGSHIPXOLW-KBPBESRZSA-N 0 1 390.452 -1.643 20 0 GAADMN O=C(NC[C@H](O)CNCc1nnnn1C1CC1)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001577988496 1075377442 /nfs/dbraw/zinc/37/74/42/1075377442.db2.gz GBCVJGSHIPXOLW-KGLIPLIRSA-N 0 1 390.452 -1.643 20 0 GAADMN O=C(N[C@H]1CCN(CCc2cn[nH]n2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988670 1075377589 /nfs/dbraw/zinc/37/75/89/1075377589.db2.gz PSSRDORCCJYOJD-KBPBESRZSA-N 0 1 391.436 -1.909 20 0 GAADMN O=C(N[C@@H]1CCN(CCc2cn[nH]n2)C[C@@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988671 1075377544 /nfs/dbraw/zinc/37/75/44/1075377544.db2.gz PSSRDORCCJYOJD-KGLIPLIRSA-N 0 1 391.436 -1.909 20 0 GAADMN O=C(N[C@H]1CCN(CCc2cn[nH]n2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988672 1075377660 /nfs/dbraw/zinc/37/76/60/1075377660.db2.gz PSSRDORCCJYOJD-UONOGXRCSA-N 0 1 391.436 -1.909 20 0 GAADMN O=C(N[C@@H]1CCN(CCc2cn[nH]n2)C[C@H]1O)C1(n2cnnn2)CCOCC1 ZINC001577988673 1075377674 /nfs/dbraw/zinc/37/76/74/1075377674.db2.gz PSSRDORCCJYOJD-ZIAGYGMSSA-N 0 1 391.436 -1.909 20 0 GAADMN O=C(CN[C@@H](CO)CNC(=O)[C@@H]1CCCN1Cc1cn[nH]n1)N1CCCC1 ZINC001577989602 1075377483 /nfs/dbraw/zinc/37/74/83/1075377483.db2.gz TXEOHJROURVGRE-CABCVRRESA-N 0 1 379.465 -1.542 20 0 GAADMN O=C(CN[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1cn[nH]n1)N1CCCC1 ZINC001577989604 1075377505 /nfs/dbraw/zinc/37/75/05/1075377505.db2.gz TXEOHJROURVGRE-GJZGRUSLSA-N 0 1 379.465 -1.542 20 0 GAADMN O=C(NC[C@@H](O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1cn[nH]c(=O)c1 ZINC001577990555 1075377651 /nfs/dbraw/zinc/37/76/51/1075377651.db2.gz LVFWKSPXHRVEPG-OLZOCXBDSA-N 0 1 390.404 -1.828 20 0 GAADMN O=C(NC[C@H](O)CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1cn[nH]c(=O)c1 ZINC001577990556 1075377643 /nfs/dbraw/zinc/37/76/43/1075377643.db2.gz LVFWKSPXHRVEPG-STQMWFEESA-N 0 1 390.404 -1.828 20 0 GAADMN O=C(NC[C@H](O)CNc1ccc2nnnn2n1)c1cncc(-c2cn[nH]n2)c1 ZINC001577990597 1075377628 /nfs/dbraw/zinc/37/76/28/1075377628.db2.gz RZQADQLNHNEUCU-LLVKDONJSA-N 0 1 381.360 -1.098 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccc2nnnn2n1)c1cncc(-c2cn[nH]n2)c1 ZINC001577990598 1075377604 /nfs/dbraw/zinc/37/76/04/1075377604.db2.gz RZQADQLNHNEUCU-NSHDSACASA-N 0 1 381.360 -1.098 20 0 GAADMN O=C(N[C@H]1CCc2nnnn2CC1)N(Cc1c[nH]nn1)[C@@H]1CCS(=O)(=O)C1 ZINC001577990762 1075377620 /nfs/dbraw/zinc/37/76/20/1075377620.db2.gz XGKYTQNNZFBWDR-CMPLNLGQSA-N 0 1 395.449 -1.105 20 0 GAADMN O=C(N[C@H]1CCc2nnnn2CC1)N(Cc1c[nH]nn1)[C@H]1CCS(=O)(=O)C1 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O=C(CCOCc1c[nH]nn1)N1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001578000173 1075379254 /nfs/dbraw/zinc/37/92/54/1075379254.db2.gz MLHKQAGBPDSKDJ-VXGBXAGGSA-N 0 1 386.434 -1.880 20 0 GAADMN O=C(NC[C@H]1CN(CCc2c[nH]nn2)CCO1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001578001004 1075379093 /nfs/dbraw/zinc/37/90/93/1075379093.db2.gz CIMCLEIXZZLIRP-DOMZBBRYSA-N 0 1 388.432 -1.060 20 0 GAADMN O=C(NC[C@@H]1CN(CCc2c[nH]nn2)CCO1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001578001005 1075379206 /nfs/dbraw/zinc/37/92/06/1075379206.db2.gz CIMCLEIXZZLIRP-IUODEOHRSA-N 0 1 388.432 -1.060 20 0 GAADMN O=C(NC[C@@H]1CN(CCc2c[nH]nn2)CCO1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001578001006 1075379065 /nfs/dbraw/zinc/37/90/65/1075379065.db2.gz CIMCLEIXZZLIRP-SWLSCSKDSA-N 0 1 388.432 -1.060 20 0 GAADMN O=C(NC[C@H]1CN(CCc2c[nH]nn2)CCO1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001578001007 1075379199 /nfs/dbraw/zinc/37/91/99/1075379199.db2.gz CIMCLEIXZZLIRP-WFASDCNBSA-N 0 1 388.432 -1.060 20 0 GAADMN O=C(Cn1cnnn1)N1CC(CNC(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001578001716 1075379515 /nfs/dbraw/zinc/37/95/15/1075379515.db2.gz KWWHLZBBPWXKMZ-UHFFFAOYSA-N 0 1 388.436 -1.722 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001578001779 1075379652 /nfs/dbraw/zinc/37/96/52/1075379652.db2.gz LLSYGDZTHQYDFE-GFCCVEGCSA-N 0 1 391.388 -1.136 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001578001782 1075379572 /nfs/dbraw/zinc/37/95/72/1075379572.db2.gz LLSYGDZTHQYDFE-LBPRGKRZSA-N 0 1 391.388 -1.136 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CCOC[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001578003106 1075379440 /nfs/dbraw/zinc/37/94/40/1075379440.db2.gz GMHOFRPFXRFODO-GFCCVEGCSA-N 0 1 391.388 -1.136 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CCOC[C@@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001578003107 1075379581 /nfs/dbraw/zinc/37/95/81/1075379581.db2.gz GMHOFRPFXRFODO-LBPRGKRZSA-N 0 1 391.388 -1.136 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CCOC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001578003682 1075379547 /nfs/dbraw/zinc/37/95/47/1075379547.db2.gz NANKWTRPCXOWSB-CYBMUJFWSA-N 0 1 391.388 -1.136 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001578003683 1075379488 /nfs/dbraw/zinc/37/94/88/1075379488.db2.gz NANKWTRPCXOWSB-ZDUSSCGKSA-N 0 1 391.388 -1.136 20 0 GAADMN O=C(NC[C@@H]1CN(Cc2c[nH]nn2)CCO1)C1(n2cnnn2)CCOCC1 ZINC001578003872 1075379670 /nfs/dbraw/zinc/37/96/70/1075379670.db2.gz PABPTCSMZHOPNI-CYBMUJFWSA-N 0 1 377.409 -1.686 20 0 GAADMN O=C(NC[C@H]1CN(Cc2c[nH]nn2)CCO1)C1(n2cnnn2)CCOCC1 ZINC001578003873 1075379475 /nfs/dbraw/zinc/37/94/75/1075379475.db2.gz PABPTCSMZHOPNI-ZDUSSCGKSA-N 0 1 377.409 -1.686 20 0 GAADMN CCN(CCNC(=O)CN1CCC(=O)NC1=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001578004158 1075379644 /nfs/dbraw/zinc/37/96/44/1075379644.db2.gz AHZWJWNYWYEQSD-UHFFFAOYSA-N 0 1 388.392 -1.459 20 0 GAADMN CCN(CCNC(=O)CN(C)S(C)(=O)=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001578004284 1075379528 /nfs/dbraw/zinc/37/95/28/1075379528.db2.gz DNOHLZKWZBICND-UHFFFAOYSA-N 0 1 383.438 -1.509 20 0 GAADMN O=C(NC[C@H]1COCCN1CCc1c[nH]nn1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001578004344 1075380026 /nfs/dbraw/zinc/38/00/26/1075380026.db2.gz UXFMDXBFXGSXPY-AAEUAGOBSA-N 0 1 376.421 -1.276 20 0 GAADMN O=C(NC[C@@H]1COCCN1CCc1c[nH]nn1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001578004345 1075379929 /nfs/dbraw/zinc/37/99/29/1075379929.db2.gz UXFMDXBFXGSXPY-DGCLKSJQSA-N 0 1 376.421 -1.276 20 0 GAADMN O=C(NC[C@@H]1COCCN1CCc1c[nH]nn1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001578004346 1075380005 /nfs/dbraw/zinc/38/00/05/1075380005.db2.gz UXFMDXBFXGSXPY-WCQYABFASA-N 0 1 376.421 -1.276 20 0 GAADMN O=C(NC[C@H]1COCCN1CCc1c[nH]nn1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001578004347 1075380147 /nfs/dbraw/zinc/38/01/47/1075380147.db2.gz UXFMDXBFXGSXPY-YPMHNXCESA-N 0 1 376.421 -1.276 20 0 GAADMN O=C(NC[C@@H]1COCCN1CCc1c[nH]nn1)[C@H]1CCc2nnnn2CC1 ZINC001578004631 1075380079 /nfs/dbraw/zinc/38/00/79/1075380079.db2.gz ZPTGOGMKQVUYQN-GXTWGEPZSA-N 0 1 375.437 -1.197 20 0 GAADMN O=C(NC[C@H]1COCCN1CCc1c[nH]nn1)[C@H]1CCc2nnnn2CC1 ZINC001578004632 1075380114 /nfs/dbraw/zinc/38/01/14/1075380114.db2.gz ZPTGOGMKQVUYQN-JSGCOSHPSA-N 0 1 375.437 -1.197 20 0 GAADMN O=C(NC[C@H]1COCCN1CCc1c[nH]nn1)[C@@H]1CCc2nnnn2CC1 ZINC001578004633 1075380104 /nfs/dbraw/zinc/38/01/04/1075380104.db2.gz ZPTGOGMKQVUYQN-OCCSQVGLSA-N 0 1 375.437 -1.197 20 0 GAADMN O=C(NC[C@@H]1COCCN1CCc1c[nH]nn1)[C@@H]1CCc2nnnn2CC1 ZINC001578004634 1075379977 /nfs/dbraw/zinc/37/99/77/1075379977.db2.gz ZPTGOGMKQVUYQN-TZMCWYRMSA-N 0 1 375.437 -1.197 20 0 GAADMN CCN(CCNC(=O)CN1CCOCC1=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001578004766 1075380073 /nfs/dbraw/zinc/38/00/73/1075380073.db2.gz OZOJJAKEXGQQLU-UHFFFAOYSA-N 0 1 375.393 -1.542 20 0 GAADMN CCN(CCNC(=O)CNS(=O)(=O)NC)c1ccncc1-c1nn[nH]n1 ZINC001578004823 1075380466 /nfs/dbraw/zinc/38/04/66/1075380466.db2.gz RJIODMQGDRHNIR-UHFFFAOYSA-N 0 1 383.438 -1.742 20 0 GAADMN CCN(CCNC(=O)CNS(=O)(=O)CC)c1ccnc(-c2nn[nH]n2)n1 ZINC001578004857 1075380391 /nfs/dbraw/zinc/38/03/91/1075380391.db2.gz TYAVJUDLLAYLCP-UHFFFAOYSA-N 0 1 383.438 -1.462 20 0 GAADMN CCN(CCNC(=O)CN1CCN(C)C(=O)C1)c1ccncc1-c1nn[nH]n1 ZINC001578004900 1075380578 /nfs/dbraw/zinc/38/05/78/1075380578.db2.gz VMAZMLZUGDANPU-UHFFFAOYSA-N 0 1 387.448 -1.022 20 0 GAADMN O=C(Cn1cnnn1)N(CCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)C1CC1 ZINC001578005950 1075380443 /nfs/dbraw/zinc/38/04/43/1075380443.db2.gz COJMCRHCAXTYAP-AWEZNQCLSA-N 0 1 388.436 -1.437 20 0 GAADMN O=C(NCCN(CCO)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1ccncn1 ZINC001578005979 1075380349 /nfs/dbraw/zinc/38/03/49/1075380349.db2.gz CYZNJHFGOLENBA-HNNXBMFYSA-N 0 1 388.432 -1.190 20 0 GAADMN O=C(NCCN(CCO)C(=O)C1CCN(Cc2c[nH]nn2)CC1)c1ncc[nH]1 ZINC001578006463 1075380923 /nfs/dbraw/zinc/38/09/23/1075380923.db2.gz KBGMLQLPPYGOQM-UHFFFAOYSA-N 0 1 390.448 -1.009 20 0 GAADMN O=C(NCCN(CCO)C(=O)c1cccnn1)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001578006539 1075380896 /nfs/dbraw/zinc/38/08/96/1075380896.db2.gz LLQOTRUQJABPJF-HNNXBMFYSA-N 0 1 388.432 -1.190 20 0 GAADMN O=C(NCC[C@@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O)c1cn[nH]c(=O)c1 ZINC001578006603 1075380916 /nfs/dbraw/zinc/38/09/16/1075380916.db2.gz VVAKSVDEIIYDNL-GFCCVEGCSA-N 0 1 381.418 -1.281 20 0 GAADMN O=C(NCC[C@H]1CN(Cc2c[nH]nn2)CCS1(=O)=O)c1cn[nH]c(=O)c1 ZINC001578006605 1075380804 /nfs/dbraw/zinc/38/08/04/1075380804.db2.gz VVAKSVDEIIYDNL-LBPRGKRZSA-N 0 1 381.418 -1.281 20 0 GAADMN O=C(NC/C=C/CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)[C@H]1CCNC1=O ZINC001578006792 1075380854 /nfs/dbraw/zinc/38/08/54/1075380854.db2.gz LFKXRYRXFKVQSL-BGTMTDRBSA-N 0 1 389.460 -1.059 20 0 GAADMN O=C(NC/C=C\CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)[C@H]1CCNC1=O ZINC001578006793 1075380941 /nfs/dbraw/zinc/38/09/41/1075380941.db2.gz LFKXRYRXFKVQSL-DJYNDVHFSA-N 0 1 389.460 -1.059 20 0 GAADMN O=C(NC/C=C\CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)[C@@H]1CCNC1=O ZINC001578007094 1075380826 /nfs/dbraw/zinc/38/08/26/1075380826.db2.gz LFKXRYRXFKVQSL-OYADATRGSA-N 0 1 389.460 -1.059 20 0 GAADMN O=C(NC/C=C/CNC(=O)C1CCN(Cc2c[nH]nn2)CC1)[C@@H]1CCNC1=O ZINC001578007095 1075380887 /nfs/dbraw/zinc/38/08/87/1075380887.db2.gz LFKXRYRXFKVQSL-YLSAJCSVSA-N 0 1 389.460 -1.059 20 0 GAADMN O=C(NC[C@@H]1COCCO1)N1CCN(S(=O)(=O)NCc2c[nH]nn2)CC1 ZINC001578007523 1075380836 /nfs/dbraw/zinc/38/08/36/1075380836.db2.gz NJHPUMPWBKBSMI-GFCCVEGCSA-N 0 1 389.438 -2.118 20 0 GAADMN O=C(NC[C@H]1COCCO1)N1CCN(S(=O)(=O)NCc2c[nH]nn2)CC1 ZINC001578007525 1075380873 /nfs/dbraw/zinc/38/08/73/1075380873.db2.gz NJHPUMPWBKBSMI-LBPRGKRZSA-N 0 1 389.438 -2.118 20 0 GAADMN O=C(NCCNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)c1ccn2nnnc2c1 ZINC001578009136 1075380937 /nfs/dbraw/zinc/38/09/37/1075380937.db2.gz JNHGKEDFGHYSLF-ZDUSSCGKSA-N 0 1 384.404 -1.247 20 0 GAADMN O=C(CCn1cnnn1)N1CCC[C@@H](C(=O)NCCNCc2c[nH]nn2)C1 ZINC001578009196 1075380905 /nfs/dbraw/zinc/38/09/05/1075380905.db2.gz KTOGKTDTJNIULC-GFCCVEGCSA-N 0 1 376.425 -1.674 20 0 GAADMN O=C(CCn1cnnn1)N1CCC[C@H](C(=O)NCCNCc2c[nH]nn2)C1 ZINC001578009197 1075380864 /nfs/dbraw/zinc/38/08/64/1075380864.db2.gz KTOGKTDTJNIULC-LBPRGKRZSA-N 0 1 376.425 -1.674 20 0 GAADMN O=C(NCCN1CCN(Cc2c[nH]nn2)CC1)C1(n2cnnn2)CCOCC1 ZINC001578009312 1075380932 /nfs/dbraw/zinc/38/09/32/1075380932.db2.gz RLRVTFRUOZHUTQ-UHFFFAOYSA-N 0 1 390.452 -1.769 20 0 GAADMN O=C(NCCN1CCC([NH2+]CCc2c[nH]nn2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001578009414 1075380879 /nfs/dbraw/zinc/38/08/79/1075380879.db2.gz VHMNWUIBJFFGMU-UHFFFAOYSA-N 0 1 377.409 -1.573 20 0 GAADMN O=C(NCCc1cnccn1)N1CCN(S(=O)(=O)NCc2c[nH]nn2)CC1 ZINC001578011105 1075381189 /nfs/dbraw/zinc/38/11/89/1075381189.db2.gz XJOBZDKKPUKVKV-UHFFFAOYSA-N 0 1 395.449 -1.501 20 0 GAADMN CCN(CCNC(=O)COCc1nncn1C)c1ccnc(-c2nn[nH]n2)n1 ZINC001578012102 1075381206 /nfs/dbraw/zinc/38/12/06/1075381206.db2.gz DUGPIZVTYWXJRF-UHFFFAOYSA-N 0 1 387.408 -1.056 20 0 GAADMN CCN(CCNC(=O)CS(=O)(=O)N(C)C)c1ccnc(-c2nn[nH]n2)n1 ZINC001578012186 1075381251 /nfs/dbraw/zinc/38/12/51/1075381251.db2.gz HYCFANLTVUUFQQ-UHFFFAOYSA-N 0 1 383.438 -1.509 20 0 GAADMN O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001578018108 1075381615 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AEYVRSBLBOASJZ-AGIUHOORSA-N 0 1 376.377 -1.846 20 0 GAADMN O=C(CCn1cncn1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001578018889 1075381669 /nfs/dbraw/zinc/38/16/69/1075381669.db2.gz AJFDQRXZCCJSKG-HUUCEWRRSA-N 0 1 397.399 -1.150 20 0 GAADMN O=C(N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccc(-c2cn[nH]n2)cn1 ZINC001578018920 1075381659 /nfs/dbraw/zinc/38/16/59/1075381659.db2.gz ASZXLGVYHYOBTQ-CABCVRRESA-N 0 1 399.411 -1.209 20 0 GAADMN O=C(Cn1nccn1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001578018933 1075381693 /nfs/dbraw/zinc/38/16/93/1075381693.db2.gz BCPBDZWFDMMOPI-ZIAGYGMSSA-N 0 1 383.372 -1.540 20 0 GAADMN O=C(Cn1ncnn1)N1C[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)[C@@H](O)C1 ZINC001578018968 1075381756 /nfs/dbraw/zinc/38/17/56/1075381756.db2.gz BZCXFPXGULFRQO-OLZOCXBDSA-N 0 1 384.360 -2.145 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O)c1cncc(-c2cn[nH]n2)c1 ZINC001578018973 1075381698 /nfs/dbraw/zinc/38/16/98/1075381698.db2.gz OQQGFNIZCULFLJ-OLZOCXBDSA-N 0 1 393.371 -1.321 20 0 GAADMN O=C(CCCc1cnn[nH]1)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001578018977 1075381734 /nfs/dbraw/zinc/38/17/34/1075381734.db2.gz CKUGDAWQKUFYSR-CHWSQXEVSA-N 0 1 385.388 -1.433 20 0 GAADMN O=C(CCCc1c[nH]nn1)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001578018977 1075381729 /nfs/dbraw/zinc/38/17/29/1075381729.db2.gz CKUGDAWQKUFYSR-CHWSQXEVSA-N 0 1 385.388 -1.433 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O)c1cncc(-c2cn[nH]n2)c1 ZINC001578019021 1075381687 /nfs/dbraw/zinc/38/16/87/1075381687.db2.gz FDNGVJKDWYHBDC-BNOWGMLFSA-N 0 1 385.384 -1.696 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1O)c1cncc(-c2cn[nH]n2)c1 ZINC001578019022 1075381602 /nfs/dbraw/zinc/38/16/02/1075381602.db2.gz FDNGVJKDWYHBDC-IACUBPJLSA-N 0 1 385.384 -1.696 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1O)c1cncc(-c2cn[nH]n2)c1 ZINC001578019027 1075381681 /nfs/dbraw/zinc/38/16/81/1075381681.db2.gz FDNGVJKDWYHBDC-MRVWCRGKSA-N 0 1 385.384 -1.696 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O)c1cncc(-c2cn[nH]n2)c1 ZINC001578019029 1075381746 /nfs/dbraw/zinc/38/17/46/1075381746.db2.gz FDNGVJKDWYHBDC-YUTCNCBUSA-N 0 1 385.384 -1.696 20 0 GAADMN O=C(CN1CN=NC1=O)N1C[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)[C@@H](O)C1 ZINC001578019150 1075381710 /nfs/dbraw/zinc/38/17/10/1075381710.db2.gz IBZUBPSIFRHXBD-OLZOCXBDSA-N 0 1 399.371 -1.835 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]n3)cn2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001578019153 1075382073 /nfs/dbraw/zinc/38/20/73/1075382073.db2.gz ICAAWCIEPZAXMG-ZIAGYGMSSA-N 0 1 396.367 -1.022 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001578019164 1075382129 /nfs/dbraw/zinc/38/21/29/1075382129.db2.gz IHMYHXXNWGQCBM-BZUAXINKSA-N 0 1 392.460 -1.116 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001578019173 1075382209 /nfs/dbraw/zinc/38/22/09/1075382209.db2.gz IHMYHXXNWGQCBM-OAGGEKHMSA-N 0 1 392.460 -1.116 20 0 GAADMN O=C(C[C@H]1CCOC1)N1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)[C@@H](O)C1 ZINC001578019269 1075381960 /nfs/dbraw/zinc/38/19/60/1075381960.db2.gz KJAHLIRMRNHQGF-OJLVUWQFSA-N 0 1 392.460 -1.116 20 0 GAADMN O=C(CNC(=O)C1CC1)N1C[C@@H](NC(=O)c2cncc(-c3cn[nH]n3)c2)[C@@H](O)C1 ZINC001578019296 1075382188 /nfs/dbraw/zinc/38/21/88/1075382188.db2.gz KTBJQWHKYCYPIM-CABCVRRESA-N 0 1 399.411 -1.306 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1O)c1ccc(-c2c[nH]nn2)nc1 ZINC001578019298 1075382103 /nfs/dbraw/zinc/38/21/03/1075382103.db2.gz KTKYENGILJZEFM-KGLIPLIRSA-N 0 1 396.367 -1.022 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C[C@H]1O)c1cocn1 ZINC001578019328 1075382022 /nfs/dbraw/zinc/38/20/22/1075382022.db2.gz LLXZXUIFKQYMPY-KWCYVHTRSA-N 0 1 375.389 -1.241 20 0 GAADMN O=C(CN1C[C@@H](NC(=O)C2CCN(Cc3c[nH]nn3)CC2)[C@@H](O)C1)N1CCC1 ZINC001578019330 1075381911 /nfs/dbraw/zinc/38/19/11/1075381911.db2.gz LPLFAVVYNRNFKT-CVEARBPZSA-N 0 1 391.476 -1.590 20 0 GAADMN O=C(Cn1cnnn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001578019367 1075382036 /nfs/dbraw/zinc/38/20/36/1075382036.db2.gz MNFZBFOOXCRINQ-FRRDWIJNSA-N 0 1 390.408 -2.856 20 0 GAADMN O=C(N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1O)c1ccc(-c2cn[nH]n2)cc1 ZINC001578019389 1075381974 /nfs/dbraw/zinc/38/19/74/1075381974.db2.gz NAINSYFVSNXNNZ-HUUCEWRRSA-N 0 1 399.411 -1.202 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 ZINC001578019492 1075382003 /nfs/dbraw/zinc/38/20/03/1075382003.db2.gz NXBVWMBVVVOABR-YPMHNXCESA-N 0 1 376.373 -1.186 20 0 GAADMN O=C(CCCc1cnn[nH]1)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001578019498 1075382202 /nfs/dbraw/zinc/38/22/02/1075382202.db2.gz OGTBJSPHNQQLLO-FUAJKEFHSA-N 0 1 393.444 -1.133 20 0 GAADMN O=C(CCCc1c[nH]nn1)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001578019498 1075382197 /nfs/dbraw/zinc/38/21/97/1075382197.db2.gz OGTBJSPHNQQLLO-FUAJKEFHSA-N 0 1 393.444 -1.133 20 0 GAADMN O=C(Cn1cccn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001578019506 1075382054 /nfs/dbraw/zinc/38/20/54/1075382054.db2.gz OMRGSBJRYLQPOV-QLFBSQMISA-N 0 1 388.432 -1.646 20 0 GAADMN O=C(N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2c[nH]nn2)cn1 ZINC001578019516 1075381930 /nfs/dbraw/zinc/38/19/30/1075381930.db2.gz PCAYJYJUUQDDBI-IAOVAPTHSA-N 0 1 398.427 -1.101 20 0 GAADMN O=C(N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2c[nH]nn2)cn1 ZINC001578019517 1075382145 /nfs/dbraw/zinc/38/21/45/1075382145.db2.gz PCAYJYJUUQDDBI-KBRIMQKVSA-N 0 1 398.427 -1.101 20 0 GAADMN O=C(Cc1nnc[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001578019518 1075382087 /nfs/dbraw/zinc/38/20/87/1075382087.db2.gz PDFQOCSPIBBNDM-FRRDWIJNSA-N 0 1 389.420 -2.182 20 0 GAADMN O=C(CNC(=O)C1CC1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001578019522 1075382116 /nfs/dbraw/zinc/38/21/16/1075382116.db2.gz PFIAEQSNEPDNQK-HUUCEWRRSA-N 0 1 399.411 -1.306 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C[C@@H]1O)c1n[nH]cc1F ZINC001578019543 1075381899 /nfs/dbraw/zinc/38/18/99/1075381899.db2.gz QSZVAYRWISLJIB-AGIUHOORSA-N 0 1 392.395 -1.367 20 0 GAADMN O=C(CCn1cnnn1)N1C[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)[C@@H](O)C1 ZINC001578019545 1075382171 /nfs/dbraw/zinc/38/21/71/1075382171.db2.gz QVNIDHVUYJWMCW-CABCVRRESA-N 0 1 397.399 -1.150 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 ZINC001578019571 1075382181 /nfs/dbraw/zinc/38/21/81/1075382181.db2.gz RNPWOHXEIPNUDE-OLZOCXBDSA-N 0 1 388.388 -1.311 20 0 GAADMN O=C(CCCc1cnn[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001578019666 1075382592 /nfs/dbraw/zinc/38/25/92/1075382592.db2.gz RXIKJTPQIMNFBR-CYZMBNFOSA-N 0 1 385.446 -1.750 20 0 GAADMN O=C(CCCc1c[nH]nn1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001578019666 1075382588 /nfs/dbraw/zinc/38/25/88/1075382588.db2.gz RXIKJTPQIMNFBR-CYZMBNFOSA-N 0 1 385.446 -1.750 20 0 GAADMN O=C(CCCc1cnn[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001578019669 1075382609 /nfs/dbraw/zinc/38/26/09/1075382609.db2.gz RXIKJTPQIMNFBR-RAIGVLPGSA-N 0 1 385.446 -1.750 20 0 GAADMN O=C(CCCc1c[nH]nn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001578019669 1075382606 /nfs/dbraw/zinc/38/26/06/1075382606.db2.gz RXIKJTPQIMNFBR-RAIGVLPGSA-N 0 1 385.446 -1.750 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O)c1cncc(-c2cn[nH]n2)c1 ZINC001578019694 1075382538 /nfs/dbraw/zinc/38/25/38/1075382538.db2.gz SIIGZCYCIAFOHR-ZIAGYGMSSA-N 0 1 396.367 -1.022 20 0 GAADMN O=C(N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccc(-c2c[nH]nn2)nc1 ZINC001578019712 1075382617 /nfs/dbraw/zinc/38/26/17/1075382617.db2.gz SPKSBOQQTLLDMC-CABCVRRESA-N 0 1 399.411 -1.209 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001578019713 1075382551 /nfs/dbraw/zinc/38/25/51/1075382551.db2.gz SQTKDNIEWQNHRU-WOPDTQHZSA-N 0 1 375.393 -2.111 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O)c1cncc(-c2cn[nH]n2)c1 ZINC001578019721 1075382559 /nfs/dbraw/zinc/38/25/59/1075382559.db2.gz TUDJDUSLJOOQJY-ZIAGYGMSSA-N 0 1 396.367 -1.435 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)c2cncc(-c3cn[nH]n3)c2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001578019749 1075382497 /nfs/dbraw/zinc/38/24/97/1075382497.db2.gz VQHMATYNSPCXFO-KGLIPLIRSA-N 0 1 396.367 -1.022 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C[C@H]1O)c1ccncn1 ZINC001578019757 1075382544 /nfs/dbraw/zinc/38/25/44/1075382544.db2.gz VWYJAJOUTXTGSS-QLFBSQMISA-N 0 1 386.416 -1.439 20 0 GAADMN O=C(Cc1nnc[nH]1)N1C[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)[C@@H](O)C1 ZINC001578019766 1075382471 /nfs/dbraw/zinc/38/24/71/1075382471.db2.gz WFAUVEJFPVJERI-OLZOCXBDSA-N 0 1 383.372 -1.471 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001578019788 1075382532 /nfs/dbraw/zinc/38/25/32/1075382532.db2.gz XHISHJGGTGTPRB-KGLIPLIRSA-N 0 1 389.416 -1.075 20 0 GAADMN O=C(N[C@@H]1CN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)C[C@@H]1O)c1ccn[nH]1 ZINC001578019820 1075382523 /nfs/dbraw/zinc/38/25/23/1075382523.db2.gz YXGDCERZJPOVGI-CABCVRRESA-N 0 1 388.432 -1.259 20 0 GAADMN O=C(CCOCc1c[nH]nn1)N1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001578019864 1075382562 /nfs/dbraw/zinc/38/25/62/1075382562.db2.gz ZUGTUHUUVRVKJP-NEPJUHHUSA-N 0 1 377.361 -1.791 20 0 GAADMN O=C(N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001578019920 1075382504 /nfs/dbraw/zinc/38/25/04/1075382504.db2.gz AHMOPVYHTLJSLH-FZMZJTMJSA-N 0 1 386.416 -1.117 20 0 GAADMN O=C(N[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1)[C@H]1COCCO1 ZINC001578019983 1075382483 /nfs/dbraw/zinc/38/24/83/1075382483.db2.gz BSWCDNGTFAEEOZ-AEGPPILISA-N 0 1 378.433 -1.098 20 0 GAADMN O=C(N[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1)[C@@H]1COCCO1 ZINC001578019984 1075382512 /nfs/dbraw/zinc/38/25/12/1075382512.db2.gz BSWCDNGTFAEEOZ-QEJZJMRPSA-N 0 1 378.433 -1.098 20 0 GAADMN 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/nfs/dbraw/zinc/39/23/35/1075392335.db2.gz AMKAKBOYCAUMSZ-UHFFFAOYSA-N 0 1 386.376 -1.548 20 0 GAADMN CCN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(CCOC)nn1 ZINC001578133760 1075392316 /nfs/dbraw/zinc/39/23/16/1075392316.db2.gz BOBFBIXHXOPGIB-UHFFFAOYSA-N 0 1 387.408 -1.109 20 0 GAADMN CCN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001578134121 1075392379 /nfs/dbraw/zinc/39/23/79/1075392379.db2.gz KYWSVZUKGCJVIA-VHSXEESVSA-N 0 1 375.393 -1.628 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)CCn1ncn(C)c1=O ZINC001578135477 1075392309 /nfs/dbraw/zinc/39/23/09/1075392309.db2.gz AQUZFHUPYBRDTH-UHFFFAOYSA-N 0 1 386.420 -1.071 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCN(C)C(=O)C1 ZINC001578135560 1075392356 /nfs/dbraw/zinc/39/23/56/1075392356.db2.gz CWMDQJULDAMGSG-UHFFFAOYSA-N 0 1 387.448 -1.282 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)CNC(=O)CNC(C)=O ZINC001578135708 1075392343 /nfs/dbraw/zinc/39/23/43/1075392343.db2.gz GHQGEXIJDSCBSN-UHFFFAOYSA-N 0 1 389.420 -1.804 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)CNS(=O)(=O)CC ZINC001578135733 1075392360 /nfs/dbraw/zinc/39/23/60/1075392360.db2.gz HEEODCIINJCVJQ-UHFFFAOYSA-N 0 1 382.450 -1.117 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)CS(=O)(=O)N(C)C ZINC001578135840 1075392296 /nfs/dbraw/zinc/39/22/96/1075392296.db2.gz IMFPLWAEJGKLDI-UHFFFAOYSA-N 0 1 382.450 -1.165 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001578135951 1075392372 /nfs/dbraw/zinc/39/23/72/1075392372.db2.gz LERMVACQIVWUBV-GFCCVEGCSA-N 0 1 380.434 -1.364 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001578135952 1075392340 /nfs/dbraw/zinc/39/23/40/1075392340.db2.gz LERMVACQIVWUBV-LBPRGKRZSA-N 0 1 380.434 -1.364 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001578136089 1075392306 /nfs/dbraw/zinc/39/23/06/1075392306.db2.gz LXBMSMVKMAIKQP-UHFFFAOYSA-N 0 1 385.388 -1.094 20 0 GAADMN CCN(CCNc1ccncc1-c1nn[nH]n1)C(=O)CCS(=O)(=O)NC ZINC001578136390 1075392368 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GAADMN CCN(c1ccnc(-c2nn[nH]n2)n1)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001578192370 1075394150 /nfs/dbraw/zinc/39/41/50/1075394150.db2.gz JZGRQEOFESDPHZ-SNVBAGLBSA-N 0 1 387.408 -1.417 20 0 GAADMN CCN(c1ccnc(-c2nn[nH]n2)n1)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001578192557 1075393993 /nfs/dbraw/zinc/39/39/93/1075393993.db2.gz SIUVJMZXIRMDRJ-LLVKDONJSA-N 0 1 389.420 -1.154 20 0 GAADMN CCN1C[C@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578210541 1075394511 /nfs/dbraw/zinc/39/45/11/1075394511.db2.gz FJEVQTAXFIWESH-LLVKDONJSA-N 0 1 389.420 -1.820 20 0 GAADMN CCN1C[C@@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578210542 1075394694 /nfs/dbraw/zinc/39/46/94/1075394694.db2.gz FJEVQTAXFIWESH-NSHDSACASA-N 0 1 389.420 -1.820 20 0 GAADMN CCN1C[C@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578210868 1075394640 /nfs/dbraw/zinc/39/46/40/1075394640.db2.gz LVNVVUCSRQPFQD-GHMZBOCLSA-N 0 1 389.420 -1.822 20 0 GAADMN CCN1C[C@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O 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KVBCRWAXSPUUTO-UWVGGRQHSA-N 0 1 375.393 -2.164 20 0 GAADMN CCN1C[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578212775 1075396175 /nfs/dbraw/zinc/39/61/75/1075396175.db2.gz KVBCRWAXSPUUTO-VHSXEESVSA-N 0 1 375.393 -2.164 20 0 GAADMN CCN1C[C@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578212776 1075396112 /nfs/dbraw/zinc/39/61/12/1075396112.db2.gz KVBCRWAXSPUUTO-ZJUUUORDSA-N 0 1 375.393 -2.164 20 0 GAADMN CCN1C[C@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578213959 1075396895 /nfs/dbraw/zinc/39/68/95/1075396895.db2.gz XKRAPPKWLXEKOW-NXEZZACHSA-N 0 1 375.393 -2.164 20 0 GAADMN CCN1C[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578213960 1075397063 /nfs/dbraw/zinc/39/70/63/1075397063.db2.gz XKRAPPKWLXEKOW-UWVGGRQHSA-N 0 1 375.393 -2.164 20 0 GAADMN CCN1C[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578213961 1075397084 /nfs/dbraw/zinc/39/70/84/1075397084.db2.gz XKRAPPKWLXEKOW-VHSXEESVSA-N 0 1 375.393 -2.164 20 0 GAADMN CCN1C[C@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001578213962 1075397118 /nfs/dbraw/zinc/39/71/18/1075397118.db2.gz XKRAPPKWLXEKOW-ZJUUUORDSA-N 0 1 375.393 -2.164 20 0 GAADMN CCN1C[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CC1=O ZINC001578214079 1075397007 /nfs/dbraw/zinc/39/70/07/1075397007.db2.gz ZJPZFTRPJQWNPY-AXFHLTTASA-N 0 1 387.404 -1.809 20 0 GAADMN CCN1C[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CC1=O ZINC001578214080 1075397078 /nfs/dbraw/zinc/39/70/78/1075397078.db2.gz ZJPZFTRPJQWNPY-GMTAPVOTSA-N 0 1 387.404 -1.809 20 0 GAADMN CCN1C[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CC1=O ZINC001578214081 1075396993 /nfs/dbraw/zinc/39/69/93/1075396993.db2.gz ZJPZFTRPJQWNPY-HBNTYKKESA-N 0 1 387.404 -1.809 20 0 GAADMN CCN1C[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CC1=O ZINC001578214082 1075397368 /nfs/dbraw/zinc/39/73/68/1075397368.db2.gz ZJPZFTRPJQWNPY-MXWKQRLJSA-N 0 1 387.404 -1.809 20 0 GAADMN CCN1CC[C@@H](N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001578214453 1075397443 /nfs/dbraw/zinc/39/74/43/1075397443.db2.gz AWQSWTNJBQGRKX-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@@H](N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001578214455 1075397257 /nfs/dbraw/zinc/39/72/57/1075397257.db2.gz AWQSWTNJBQGRKX-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@H](N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001578214457 1075397532 /nfs/dbraw/zinc/39/75/32/1075397532.db2.gz AWQSWTNJBQGRKX-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@H](N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001578214458 1075397547 /nfs/dbraw/zinc/39/75/47/1075397547.db2.gz AWQSWTNJBQGRKX-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@@H](N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001578214570 1075397575 /nfs/dbraw/zinc/39/75/75/1075397575.db2.gz CHLXWRMOPREJHP-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@@H](N2CC[C@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001578214571 1075397280 /nfs/dbraw/zinc/39/72/80/1075397280.db2.gz CHLXWRMOPREJHP-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@H](N2CC[C@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001578214572 1075397562 /nfs/dbraw/zinc/39/75/62/1075397562.db2.gz CHLXWRMOPREJHP-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@H](N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001578214574 1075397343 /nfs/dbraw/zinc/39/73/43/1075397343.db2.gz CHLXWRMOPREJHP-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@@H](N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001578214998 1075397520 /nfs/dbraw/zinc/39/75/20/1075397520.db2.gz IOVVBISOXVZYDL-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@@H](N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001578214999 1075397462 /nfs/dbraw/zinc/39/74/62/1075397462.db2.gz IOVVBISOXVZYDL-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@H](N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001578215000 1075397420 /nfs/dbraw/zinc/39/74/20/1075397420.db2.gz IOVVBISOXVZYDL-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CCN1CC[C@H](N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001578215001 1075397590 /nfs/dbraw/zinc/39/75/90/1075397590.db2.gz IOVVBISOXVZYDL-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN CC[NH+]1CCC(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001578217851 1075397871 /nfs/dbraw/zinc/39/78/71/1075397871.db2.gz RMLNOLSSKCHGSW-UHFFFAOYSA-N 0 1 377.409 -1.088 20 0 GAADMN CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578219198 1075397932 /nfs/dbraw/zinc/39/79/32/1075397932.db2.gz GGLIKDLIOWLRLN-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578219198 1075397929 /nfs/dbraw/zinc/39/79/29/1075397929.db2.gz GGLIKDLIOWLRLN-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578219198 1075397928 /nfs/dbraw/zinc/39/79/28/1075397928.db2.gz GGLIKDLIOWLRLN-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578219199 1075397912 /nfs/dbraw/zinc/39/79/12/1075397912.db2.gz GGLIKDLIOWLRLN-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578219199 1075397910 /nfs/dbraw/zinc/39/79/10/1075397910.db2.gz GGLIKDLIOWLRLN-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578219199 1075397908 /nfs/dbraw/zinc/39/79/08/1075397908.db2.gz GGLIKDLIOWLRLN-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578219200 1075397954 /nfs/dbraw/zinc/39/79/54/1075397954.db2.gz GGLIKDLIOWLRLN-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578219200 1075397950 /nfs/dbraw/zinc/39/79/50/1075397950.db2.gz GGLIKDLIOWLRLN-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578219200 1075397947 /nfs/dbraw/zinc/39/79/47/1075397947.db2.gz GGLIKDLIOWLRLN-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578219201 1075397986 /nfs/dbraw/zinc/39/79/86/1075397986.db2.gz GGLIKDLIOWLRLN-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578219201 1075397984 /nfs/dbraw/zinc/39/79/84/1075397984.db2.gz GGLIKDLIOWLRLN-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001578219201 1075397979 /nfs/dbraw/zinc/39/79/79/1075397979.db2.gz GGLIKDLIOWLRLN-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN 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CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001578219291 1075398778 /nfs/dbraw/zinc/39/87/78/1075398778.db2.gz HYQONVZIJZXXTQ-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001578219291 1075398772 /nfs/dbraw/zinc/39/87/72/1075398772.db2.gz HYQONVZIJZXXTQ-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CC[NH+]1CCN(C(=O)CNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001578221123 1075398756 /nfs/dbraw/zinc/39/87/56/1075398756.db2.gz MNRTXUIWGWYKAN-UHFFFAOYSA-N 0 1 391.392 -2.591 20 0 GAADMN CC[NH+]1CCN(CCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001578222356 1075398487 /nfs/dbraw/zinc/39/84/87/1075398487.db2.gz IZBSFRGSAVRXPQ-UHFFFAOYSA-N 0 1 377.409 -2.117 20 0 GAADMN CC[NH+]1CCN(CCNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001578222513 1075399198 /nfs/dbraw/zinc/39/91/98/1075399198.db2.gz LYPFEVMXUKNSSP-UHFFFAOYSA-N 0 1 391.436 -1.727 20 0 GAADMN CC[NH+]1CCN(C2CN(C(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001578222816 1075399208 /nfs/dbraw/zinc/39/92/08/1075399208.db2.gz QWISIPYJDFSHNT-UHFFFAOYSA-N 0 1 389.420 -2.023 20 0 GAADMN CC[NH+]1CCN(CCCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001578223217 1075399998 /nfs/dbraw/zinc/39/99/98/1075399998.db2.gz WLBJQLIAVRJNIP-UHFFFAOYSA-N 0 1 391.436 -1.727 20 0 GAADMN CCN1CCOC[C@H]1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578225412 1075404974 /nfs/dbraw/zinc/40/49/74/1075404974.db2.gz FOFNLAHIJYEFCZ-NEPJUHHUSA-N 0 1 375.437 -1.037 20 0 GAADMN CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578225413 1075404979 /nfs/dbraw/zinc/40/49/79/1075404979.db2.gz FOFNLAHIJYEFCZ-NWDGAFQWSA-N 0 1 375.437 -1.037 20 0 GAADMN CCN1CCOC[C@H]1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578225414 1075404970 /nfs/dbraw/zinc/40/49/70/1075404970.db2.gz FOFNLAHIJYEFCZ-RYUDHWBXSA-N 0 1 375.437 -1.037 20 0 GAADMN CCN1CCOC[C@@H]1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578225415 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CCN1CCOC[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578226289 1075405869 /nfs/dbraw/zinc/40/58/69/1075405869.db2.gz ONRLDZDJDGXYGU-GHMZBOCLSA-N 0 1 377.409 -2.312 20 0 GAADMN CCN1CCOC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578226290 1075406063 /nfs/dbraw/zinc/40/60/63/1075406063.db2.gz ONRLDZDJDGXYGU-MNOVXSKESA-N 0 1 377.409 -2.312 20 0 GAADMN CCN1CCOC[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578226291 1075406004 /nfs/dbraw/zinc/40/60/04/1075406004.db2.gz ONRLDZDJDGXYGU-QWRGUYRKSA-N 0 1 377.409 -2.312 20 0 GAADMN CCN1CCOC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578226292 1075405953 /nfs/dbraw/zinc/40/59/53/1075405953.db2.gz ONRLDZDJDGXYGU-WDEREUQCSA-N 0 1 377.409 -2.312 20 0 GAADMN CCN1CCOC[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578226319 1075406025 /nfs/dbraw/zinc/40/60/25/1075406025.db2.gz PBHHUHPXUXXNCF-GFCCVEGCSA-N 0 1 391.436 -1.968 20 0 GAADMN CCN1CCOC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578226320 1075406386 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389.420 -1.106 20 0 GAADMN CCNC(=O)CCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001578233462 1075411370 /nfs/dbraw/zinc/41/13/70/1075411370.db2.gz YPKLJOGSXQCRJS-LLVKDONJSA-N 0 1 389.420 -1.106 20 0 GAADMN CCNC(=O)CCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001578233463 1075411923 /nfs/dbraw/zinc/41/19/23/1075411923.db2.gz YPKLJOGSXQCRJS-NSHDSACASA-N 0 1 389.420 -1.106 20 0 GAADMN CCNC(=O)CCC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578233464 1075411766 /nfs/dbraw/zinc/41/17/66/1075411766.db2.gz YPTJSKCLQVCSPL-INIZCTEOSA-N 0 1 389.420 -1.370 20 0 GAADMN CCNC(=O)CCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578233465 1075411789 /nfs/dbraw/zinc/41/17/89/1075411789.db2.gz YPTJSKCLQVCSPL-MRXNPFEDSA-N 0 1 389.420 -1.370 20 0 GAADMN CCNC(=O)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001578233599 1075411873 /nfs/dbraw/zinc/41/18/73/1075411873.db2.gz GCMHYFAYBLSYKJ-NXEZZACHSA-N 0 1 375.393 -1.761 20 0 GAADMN CCNC(=O)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001578233600 1075411852 /nfs/dbraw/zinc/41/18/52/1075411852.db2.gz GCMHYFAYBLSYKJ-ZJUUUORDSA-N 0 1 375.393 -1.761 20 0 GAADMN CCNC(=O)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001578233714 1075411817 /nfs/dbraw/zinc/41/18/17/1075411817.db2.gz NYHPKEIGPJUWNZ-GHMZBOCLSA-N 0 1 389.420 -1.107 20 0 GAADMN CCNC(=O)CCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001578236345 1075412861 /nfs/dbraw/zinc/41/28/61/1075412861.db2.gz UIKAFVAPZRPTSB-GHMZBOCLSA-N 0 1 389.420 -1.371 20 0 GAADMN CCNC(=O)CCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001578236346 1075412815 /nfs/dbraw/zinc/41/28/15/1075412815.db2.gz UIKAFVAPZRPTSB-MNOVXSKESA-N 0 1 389.420 -1.371 20 0 GAADMN CCNC(=O)C[N@H+]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001578236361 1075412870 /nfs/dbraw/zinc/41/28/70/1075412870.db2.gz UXLHEMCMLBDBMN-UHFFFAOYSA-N 0 1 377.409 -2.098 20 0 GAADMN 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ZINC001578238200 1075413878 /nfs/dbraw/zinc/41/38/78/1075413878.db2.gz IHNGQNLVLVWCRL-UHFFFAOYSA-N 0 1 375.393 -1.108 20 0 GAADMN CCNC(=O)NC(=O)CNC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578238833 1075414416 /nfs/dbraw/zinc/41/44/16/1075414416.db2.gz XBRDEMBWPLEECF-UHFFFAOYSA-N 0 1 375.393 -1.108 20 0 GAADMN CCOC(=O)[C@@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC12COC2 ZINC001578244352 1075414878 /nfs/dbraw/zinc/41/48/78/1075414878.db2.gz UPHFKFSWJPWWTF-JTQLQIEISA-N 0 1 391.392 -1.321 20 0 GAADMN CCOC(=O)[C@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC12COC2 ZINC001578244353 1075414778 /nfs/dbraw/zinc/41/47/78/1075414778.db2.gz UPHFKFSWJPWWTF-SNVBAGLBSA-N 0 1 391.392 -1.321 20 0 GAADMN CCOC(=O)C1([S@@](C)=O)CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001578244509 1075414718 /nfs/dbraw/zinc/41/47/18/1075414718.db2.gz ZNLQLAKGDLLXNQ-HHHXNRCGSA-N 0 1 396.433 -1.239 20 0 GAADMN CCOC(=O)C1([S@](C)=O)CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001578244510 1075415259 /nfs/dbraw/zinc/41/52/59/1075415259.db2.gz ZNLQLAKGDLLXNQ-MHZLTWQESA-N 0 1 396.433 -1.239 20 0 GAADMN CCOC(=O)N1C[C@H](NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)[C@@H](CO)C1 ZINC001578246539 1075415334 /nfs/dbraw/zinc/41/53/34/1075415334.db2.gz SZMLLYJNHRCJOC-AEJSXWLSSA-N 0 1 379.381 -1.415 20 0 GAADMN CCOC(=O)N1C[C@H](NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)[C@@H](CO)C1 ZINC001578246540 1075415478 /nfs/dbraw/zinc/41/54/78/1075415478.db2.gz SZMLLYJNHRCJOC-BBBLOLIVSA-N 0 1 379.381 -1.415 20 0 GAADMN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)C1 ZINC001578246541 1075415273 /nfs/dbraw/zinc/41/52/73/1075415273.db2.gz SZMLLYJNHRCJOC-IVZWLZJFSA-N 0 1 379.381 -1.415 20 0 GAADMN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)C1 ZINC001578246542 1075415404 /nfs/dbraw/zinc/41/54/04/1075415404.db2.gz SZMLLYJNHRCJOC-OPRDCNLKSA-N 0 1 379.381 -1.415 20 0 GAADMN CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001578316267 1075416040 /nfs/dbraw/zinc/41/60/40/1075416040.db2.gz NWBMJHZYGGTVFN-JTQLQIEISA-N 0 1 380.409 -1.398 20 0 GAADMN CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001578316268 1075415847 /nfs/dbraw/zinc/41/58/47/1075415847.db2.gz NWBMJHZYGGTVFN-SNVBAGLBSA-N 0 1 380.409 -1.398 20 0 GAADMN CCO[C@@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C[NH+](C)C ZINC001578319804 1075415829 /nfs/dbraw/zinc/41/58/29/1075415829.db2.gz XITUPXOMNSTWEZ-JTQLQIEISA-N 0 1 380.409 -1.398 20 0 GAADMN CCO[C@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C[NH+](C)C ZINC001578319805 1075415813 /nfs/dbraw/zinc/41/58/13/1075415813.db2.gz XITUPXOMNSTWEZ-SNVBAGLBSA-N 0 1 380.409 -1.398 20 0 GAADMN CCO[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578381905 1075416926 /nfs/dbraw/zinc/41/69/26/1075416926.db2.gz IUCUTBAYJKHJBG-VXGBXAGGSA-N 0 1 389.420 -1.510 20 0 GAADMN CCO[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001578382140 1075417014 /nfs/dbraw/zinc/41/70/14/1075417014.db2.gz UTXXHNKCQYFTFF-ZWNOBZJWSA-N 0 1 399.419 -1.204 20 0 GAADMN CCO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578382191 1075417109 /nfs/dbraw/zinc/41/71/09/1075417109.db2.gz XGDRXCFTFFIVHI-NXEZZACHSA-N 0 1 385.392 -1.214 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578408023 1075417570 /nfs/dbraw/zinc/41/75/70/1075417570.db2.gz IQSOXPYFVZEJJA-NXEZZACHSA-N 0 1 380.434 -1.228 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001578408024 1075417540 /nfs/dbraw/zinc/41/75/40/1075417540.db2.gz IQSOXPYFVZEJJA-UWVGGRQHSA-N 0 1 380.434 -1.228 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578408025 1075417628 /nfs/dbraw/zinc/41/76/28/1075417628.db2.gz IQSOXPYFVZEJJA-VHSXEESVSA-N 0 1 380.434 -1.228 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578408026 1075417502 /nfs/dbraw/zinc/41/75/02/1075417502.db2.gz IQSOXPYFVZEJJA-ZJUUUORDSA-N 0 1 380.434 -1.228 20 0 GAADMN CCS(=O)(=O)CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578408032 1075417619 /nfs/dbraw/zinc/41/76/19/1075417619.db2.gz JCHBPPFNKDTPNU-UHFFFAOYSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001578408225 1075417651 /nfs/dbraw/zinc/41/76/51/1075417651.db2.gz NMCMKSOXIRZYAV-UHFFFAOYSA-N 0 1 383.434 -1.649 20 0 GAADMN CCS(=O)(=O)CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578408264 1075417603 /nfs/dbraw/zinc/41/76/03/1075417603.db2.gz OKPCENPFVQLTDT-SECBINFHSA-N 0 1 384.422 -2.256 20 0 GAADMN CCS(=O)(=O)CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578408266 1075417525 /nfs/dbraw/zinc/41/75/25/1075417525.db2.gz OKPCENPFVQLTDT-VIFPVBQESA-N 0 1 384.422 -2.256 20 0 GAADMN CCS(=O)(=O)CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001578408945 1075418034 /nfs/dbraw/zinc/41/80/34/1075418034.db2.gz ZWJPLZKDKQMHMD-JTQLQIEISA-N 0 1 383.434 -1.651 20 0 GAADMN CCS(=O)(=O)CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001578408946 1075418053 /nfs/dbraw/zinc/41/80/53/1075418053.db2.gz ZWJPLZKDKQMHMD-SNVBAGLBSA-N 0 1 383.434 -1.651 20 0 GAADMN CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578410845 1075417977 /nfs/dbraw/zinc/41/79/77/1075417977.db2.gz ATGVBTXHJZAMLM-MGCOHNPYSA-N 0 1 380.434 -1.180 20 0 GAADMN CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001578411099 1075418488 /nfs/dbraw/zinc/41/84/88/1075418488.db2.gz GZUHUDFRBAVOTP-GDGBQDQQSA-N 0 1 378.418 -1.358 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578411188 1075418496 /nfs/dbraw/zinc/41/84/96/1075418496.db2.gz IXTYPQQPNDJNHI-JTQLQIEISA-N 0 1 383.434 -1.684 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578411191 1075418411 /nfs/dbraw/zinc/41/84/11/1075418411.db2.gz IXTYPQQPNDJNHI-SNVBAGLBSA-N 0 1 383.434 -1.684 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001578411293 1075418903 /nfs/dbraw/zinc/41/89/03/1075418903.db2.gz KNVUUDKLUOHSEN-SECBINFHSA-N 0 1 388.475 -1.070 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001578411293 1075418899 /nfs/dbraw/zinc/41/88/99/1075418899.db2.gz KNVUUDKLUOHSEN-SECBINFHSA-N 0 1 388.475 -1.070 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001578411294 1075418823 /nfs/dbraw/zinc/41/88/23/1075418823.db2.gz KNVUUDKLUOHSEN-VIFPVBQESA-N 0 1 388.475 -1.070 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001578411294 1075418820 /nfs/dbraw/zinc/41/88/20/1075418820.db2.gz KNVUUDKLUOHSEN-VIFPVBQESA-N 0 1 388.475 -1.070 20 0 GAADMN CCS(=O)(=O)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001578411333 1075418920 /nfs/dbraw/zinc/41/89/20/1075418920.db2.gz LOVZELCPAPIJLO-BDAKNGLRSA-N 0 1 382.406 -2.243 20 0 GAADMN CCS(=O)(=O)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001578411334 1075418860 /nfs/dbraw/zinc/41/88/60/1075418860.db2.gz LOVZELCPAPIJLO-RKDXNWHRSA-N 0 1 382.406 -2.243 20 0 GAADMN CCS(=O)(=O)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001578411436 1075418807 /nfs/dbraw/zinc/41/88/07/1075418807.db2.gz OSNJGXNMRQTBJR-UHFFFAOYSA-N 0 1 380.434 -1.036 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578411501 1075419229 /nfs/dbraw/zinc/41/92/29/1075419229.db2.gz QEAWMQSRKAOKSJ-AOOOYVTPSA-N 0 1 380.434 -1.180 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578411503 1075419345 /nfs/dbraw/zinc/41/93/45/1075419345.db2.gz QEAWMQSRKAOKSJ-MGCOHNPYSA-N 0 1 380.434 -1.180 20 0 GAADMN CCS(=O)(=O)CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578411504 1075419357 /nfs/dbraw/zinc/41/93/57/1075419357.db2.gz QEAWMQSRKAOKSJ-UHFFFAOYSA-N 0 1 380.434 -1.180 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001578412374 1075419768 /nfs/dbraw/zinc/41/97/68/1075419768.db2.gz BEIOYXMOXOBINR-JTQLQIEISA-N 0 1 380.434 -1.180 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001578412375 1075419744 /nfs/dbraw/zinc/41/97/44/1075419744.db2.gz BEIOYXMOXOBINR-SNVBAGLBSA-N 0 1 380.434 -1.180 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578412392 1075419684 /nfs/dbraw/zinc/41/96/84/1075419684.db2.gz BPLOMZJVCNMIOM-JTQLQIEISA-N 0 1 380.434 -1.226 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578412393 1075419702 /nfs/dbraw/zinc/41/97/02/1075419702.db2.gz BPLOMZJVCNMIOM-SNVBAGLBSA-N 0 1 380.434 -1.226 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578412639 1075419731 /nfs/dbraw/zinc/41/97/31/1075419731.db2.gz DOZPWOIBCAXIFT-JTQLQIEISA-N 0 1 380.434 -1.084 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578412640 1075419689 /nfs/dbraw/zinc/41/96/89/1075419689.db2.gz DOZPWOIBCAXIFT-SNVBAGLBSA-N 0 1 380.434 -1.084 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001578412761 1075419756 /nfs/dbraw/zinc/41/97/56/1075419756.db2.gz FDIWEKMQRAEKLB-UHFFFAOYSA-N 0 1 380.434 -1.084 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001578413095 1075419709 /nfs/dbraw/zinc/41/97/09/1075419709.db2.gz GUPCGFJMQXOLAK-NXEZZACHSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001578413096 1075419669 /nfs/dbraw/zinc/41/96/69/1075419669.db2.gz GUPCGFJMQXOLAK-UWVGGRQHSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001578413097 1075419675 /nfs/dbraw/zinc/41/96/75/1075419675.db2.gz GUPCGFJMQXOLAK-VHSXEESVSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001578413099 1075419696 /nfs/dbraw/zinc/41/96/96/1075419696.db2.gz GUPCGFJMQXOLAK-ZJUUUORDSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001578413506 1075420238 /nfs/dbraw/zinc/42/02/38/1075420238.db2.gz KYGFQECUKLFFKM-CYBMUJFWSA-N 0 1 382.446 -1.132 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001578413507 1075420245 /nfs/dbraw/zinc/42/02/45/1075420245.db2.gz KYGFQECUKLFFKM-ZDUSSCGKSA-N 0 1 382.446 -1.132 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001578413550 1075420267 /nfs/dbraw/zinc/42/02/67/1075420267.db2.gz MMBWNCXRGSOAKM-PHIMTYICSA-N 0 1 392.445 -1.014 20 0 GAADMN CCS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001578413820 1075420178 /nfs/dbraw/zinc/42/01/78/1075420178.db2.gz NJCINROENVDGKC-UWVGGRQHSA-N 0 1 378.418 -1.119 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578413840 1075420289 /nfs/dbraw/zinc/42/02/89/1075420289.db2.gz NXCOHZIITMHAJZ-JTQLQIEISA-N 0 1 380.434 -1.084 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578413841 1075420110 /nfs/dbraw/zinc/42/01/10/1075420110.db2.gz NXCOHZIITMHAJZ-SNVBAGLBSA-N 0 1 380.434 -1.084 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578414182 1075420630 /nfs/dbraw/zinc/42/06/30/1075420630.db2.gz VTDPESUZMDVQMH-JTQLQIEISA-N 0 1 383.434 -1.684 20 0 GAADMN CCS(=O)(=O)CC(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578414183 1075420680 /nfs/dbraw/zinc/42/06/80/1075420680.db2.gz VTDPESUZMDVQMH-SNVBAGLBSA-N 0 1 383.434 -1.684 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001578414260 1075420590 /nfs/dbraw/zinc/42/05/90/1075420590.db2.gz XQTIWILZWVPGDB-NXEZZACHSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001578414261 1075420668 /nfs/dbraw/zinc/42/06/68/1075420668.db2.gz XQTIWILZWVPGDB-UWVGGRQHSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001578414262 1075420659 /nfs/dbraw/zinc/42/06/59/1075420659.db2.gz XQTIWILZWVPGDB-VHSXEESVSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001578414263 1075420565 /nfs/dbraw/zinc/42/05/65/1075420565.db2.gz XQTIWILZWVPGDB-ZJUUUORDSA-N 0 1 380.434 -1.085 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578414338 1075420974 /nfs/dbraw/zinc/42/09/74/1075420974.db2.gz AAGFMIHLEDOLPN-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578414339 1075421123 /nfs/dbraw/zinc/42/11/23/1075421123.db2.gz AAGFMIHLEDOLPN-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001578414369 1075421148 /nfs/dbraw/zinc/42/11/48/1075421148.db2.gz BUJZVQFAWSYZGS-UHFFFAOYSA-N 0 1 383.438 -1.509 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001578414390 1075421137 /nfs/dbraw/zinc/42/11/37/1075421137.db2.gz DAXOBLBZPWDDHR-JTQLQIEISA-N 0 1 382.450 -1.118 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001578414391 1075421047 /nfs/dbraw/zinc/42/10/47/1075421047.db2.gz DAXOBLBZPWDDHR-SNVBAGLBSA-N 0 1 382.450 -1.118 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578414428 1075421609 /nfs/dbraw/zinc/42/16/09/1075421609.db2.gz GBYCRLRXKYNQKQ-DTWKUNHWSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578414429 1075421621 /nfs/dbraw/zinc/42/16/21/1075421621.db2.gz GBYCRLRXKYNQKQ-IUCAKERBSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578414473 1075421529 /nfs/dbraw/zinc/42/15/29/1075421529.db2.gz IIYKOTODKAAXNC-BDAKNGLRSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578414474 1075421471 /nfs/dbraw/zinc/42/14/71/1075421471.db2.gz IIYKOTODKAAXNC-DTWKUNHWSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578414475 1075421578 /nfs/dbraw/zinc/42/15/78/1075421578.db2.gz IIYKOTODKAAXNC-IUCAKERBSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578414476 1075421564 /nfs/dbraw/zinc/42/15/64/1075421564.db2.gz IIYKOTODKAAXNC-RKDXNWHRSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)NCC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001578414484 1075421482 /nfs/dbraw/zinc/42/14/82/1075421482.db2.gz IREXOWDOVLMJGV-UHFFFAOYSA-N 0 1 383.438 -1.509 20 0 GAADMN CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578414499 1075422065 /nfs/dbraw/zinc/42/20/65/1075422065.db2.gz JCHJRWZYXUFPPA-JTQLQIEISA-N 0 1 382.450 -1.118 20 0 GAADMN CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578414500 1075422042 /nfs/dbraw/zinc/42/20/42/1075422042.db2.gz JCHJRWZYXUFPPA-SNVBAGLBSA-N 0 1 382.450 -1.118 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578414521 1075422018 /nfs/dbraw/zinc/42/20/18/1075422018.db2.gz JTRLRPGHIVKXQP-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578414522 1075422112 /nfs/dbraw/zinc/42/21/12/1075422112.db2.gz JTRLRPGHIVKXQP-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN CCS(=O)(=O)NCC(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578414537 1075422047 /nfs/dbraw/zinc/42/20/47/1075422047.db2.gz KMLVHJIBPCFTPU-UHFFFAOYSA-N 0 1 383.438 -1.722 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC001578414552 1075422587 /nfs/dbraw/zinc/42/25/87/1075422587.db2.gz LFLOCSUWGIFJPP-UHFFFAOYSA-N 0 1 385.454 -1.038 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC001578414552 1075422585 /nfs/dbraw/zinc/42/25/85/1075422585.db2.gz LFLOCSUWGIFJPP-UHFFFAOYSA-N 0 1 385.454 -1.038 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001578414596 1075422479 /nfs/dbraw/zinc/42/24/79/1075422479.db2.gz NOBNGBHNNHPTAL-UHFFFAOYSA-N 0 1 382.450 -1.165 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578414639 1075422434 /nfs/dbraw/zinc/42/24/34/1075422434.db2.gz OYRGEFDHKFTMEN-NXEZZACHSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578414640 1075422530 /nfs/dbraw/zinc/42/25/30/1075422530.db2.gz OYRGEFDHKFTMEN-UWVGGRQHSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578414641 1075422421 /nfs/dbraw/zinc/42/24/21/1075422421.db2.gz OYRGEFDHKFTMEN-VHSXEESVSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578414642 1075422599 /nfs/dbraw/zinc/42/25/99/1075422599.db2.gz OYRGEFDHKFTMEN-ZJUUUORDSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578414646 1075422760 /nfs/dbraw/zinc/42/27/60/1075422760.db2.gz PGUYOFVLOUFLOK-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578414647 1075422862 /nfs/dbraw/zinc/42/28/62/1075422862.db2.gz PGUYOFVLOUFLOK-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001578414658 1075422925 /nfs/dbraw/zinc/42/29/25/1075422925.db2.gz PREAOYAUOQINRK-NXEZZACHSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001578414659 1075422781 /nfs/dbraw/zinc/42/27/81/1075422781.db2.gz PREAOYAUOQINRK-ZJUUUORDSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001578414680 1075422839 /nfs/dbraw/zinc/42/28/39/1075422839.db2.gz QHERFEVRKAKYEG-JTQLQIEISA-N 0 1 382.450 -1.118 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001578414681 1075422853 /nfs/dbraw/zinc/42/28/53/1075422853.db2.gz QHERFEVRKAKYEG-SNVBAGLBSA-N 0 1 382.450 -1.118 20 0 GAADMN CCS(=O)(=O)N[C@H](C)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001578414705 1075423319 /nfs/dbraw/zinc/42/33/19/1075423319.db2.gz RKICERFYMYDWBG-SECBINFHSA-N 0 1 383.438 -1.463 20 0 GAADMN CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001578414706 1075423387 /nfs/dbraw/zinc/42/33/87/1075423387.db2.gz RKICERFYMYDWBG-VIFPVBQESA-N 0 1 383.438 -1.463 20 0 GAADMN CCS(=O)(=O)N(C)CC(=O)NCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578414744 1075423287 /nfs/dbraw/zinc/42/32/87/1075423287.db2.gz TWOXDNANYZBOKV-UHFFFAOYSA-N 0 1 382.450 -1.198 20 0 GAADMN CCS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001578414750 1075423345 /nfs/dbraw/zinc/42/33/45/1075423345.db2.gz ULKVNOGHYJEJFT-JTQLQIEISA-N 0 1 382.450 -1.118 20 0 GAADMN CCS(=O)(=O)NCC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001578414751 1075423396 /nfs/dbraw/zinc/42/33/96/1075423396.db2.gz ULKVNOGHYJEJFT-SNVBAGLBSA-N 0 1 382.450 -1.118 20 0 GAADMN CCS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578414786 1075423267 /nfs/dbraw/zinc/42/32/67/1075423267.db2.gz VQPRVQCWZMNWGV-SECBINFHSA-N 0 1 381.422 -1.969 20 0 GAADMN CCS(=O)(=O)NCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578414787 1075423378 /nfs/dbraw/zinc/42/33/78/1075423378.db2.gz VQPRVQCWZMNWGV-VIFPVBQESA-N 0 1 381.422 -1.969 20 0 GAADMN CCS(=O)(=O)NCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578414818 1075423684 /nfs/dbraw/zinc/42/36/84/1075423684.db2.gz XIRGYRCUFGBXFY-JTQLQIEISA-N 0 1 380.434 -1.364 20 0 GAADMN CCS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578414819 1075423692 /nfs/dbraw/zinc/42/36/92/1075423692.db2.gz XIRGYRCUFGBXFY-SNVBAGLBSA-N 0 1 380.434 -1.364 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H](C)CCNc1ccncc1-c1nn[nH]n1 ZINC001578415159 1075423820 /nfs/dbraw/zinc/42/38/20/1075423820.db2.gz ACQBXDOPQPKMAH-JTQLQIEISA-N 0 1 382.450 -1.070 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H](C)CCNc1ccncc1-c1nn[nH]n1 ZINC001578415160 1075423802 /nfs/dbraw/zinc/42/38/02/1075423802.db2.gz ACQBXDOPQPKMAH-SNVBAGLBSA-N 0 1 382.450 -1.070 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578415256 1075424556 /nfs/dbraw/zinc/42/45/56/1075424556.db2.gz DFZKZIOUOFNBAU-AOOOYVTPSA-N 0 1 380.434 -1.318 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578415257 1075424734 /nfs/dbraw/zinc/42/47/34/1075424734.db2.gz DFZKZIOUOFNBAU-MGCOHNPYSA-N 0 1 380.434 -1.318 20 0 GAADMN CCS(=O)(=O)NCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578415265 1075424677 /nfs/dbraw/zinc/42/46/77/1075424677.db2.gz DNLOEIIDXUIMBH-JTQLQIEISA-N 0 1 382.450 -1.152 20 0 GAADMN CCS(=O)(=O)NCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578415266 1075424779 /nfs/dbraw/zinc/42/47/79/1075424779.db2.gz DNLOEIIDXUIMBH-SNVBAGLBSA-N 0 1 382.450 -1.152 20 0 GAADMN CCS(=O)(=O)NCC(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578415269 1075424569 /nfs/dbraw/zinc/42/45/69/1075424569.db2.gz DOZJLDFURCRMDR-SECBINFHSA-N 0 1 383.438 -1.675 20 0 GAADMN CCS(=O)(=O)NCC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578415270 1075424767 /nfs/dbraw/zinc/42/47/67/1075424767.db2.gz DOZJLDFURCRMDR-VIFPVBQESA-N 0 1 383.438 -1.675 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578415410 1075425123 /nfs/dbraw/zinc/42/51/23/1075425123.db2.gz GJFCJLARAPIMLD-SECBINFHSA-N 0 1 381.422 -1.709 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578415411 1075425004 /nfs/dbraw/zinc/42/50/04/1075425004.db2.gz GJFCJLARAPIMLD-VIFPVBQESA-N 0 1 381.422 -1.709 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578415428 1075425130 /nfs/dbraw/zinc/42/51/30/1075425130.db2.gz GVDFYPHTDIUYDB-DTORHVGOSA-N 0 1 381.422 -1.923 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H](C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578415832 1075425627 /nfs/dbraw/zinc/42/56/27/1075425627.db2.gz KOYHEFRFLHXUQA-SECBINFHSA-N 0 1 383.438 -1.675 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H](C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578415833 1075425589 /nfs/dbraw/zinc/42/55/89/1075425589.db2.gz KOYHEFRFLHXUQA-VIFPVBQESA-N 0 1 383.438 -1.675 20 0 GAADMN CCS(=O)(=O)NCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001578415876 1075425518 /nfs/dbraw/zinc/42/55/18/1075425518.db2.gz MBYRCVVNJLOGDX-UHFFFAOYSA-N 0 1 380.434 -1.316 20 0 GAADMN CCS(=O)(=O)NCC(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578416328 1075426075 /nfs/dbraw/zinc/42/60/75/1075426075.db2.gz QLOFGIOLIXDQQG-JTQLQIEISA-N 0 1 382.450 -1.070 20 0 GAADMN CCS(=O)(=O)NCC(=O)NCC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578416329 1075425820 /nfs/dbraw/zinc/42/58/20/1075425820.db2.gz QLOFGIOLIXDQQG-SNVBAGLBSA-N 0 1 382.450 -1.070 20 0 GAADMN CCS(=O)(=O)NCC(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578416354 1075425851 /nfs/dbraw/zinc/42/58/51/1075425851.db2.gz RTPCDQQCULTCQH-SECBINFHSA-N 0 1 383.438 -1.818 20 0 GAADMN CCS(=O)(=O)NCC(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578416355 1075425980 /nfs/dbraw/zinc/42/59/80/1075425980.db2.gz RTPCDQQCULTCQH-VIFPVBQESA-N 0 1 383.438 -1.818 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001578416551 1075426501 /nfs/dbraw/zinc/42/65/01/1075426501.db2.gz UQAUXXRPCPHEOU-YABSGUDNSA-N 0 1 392.445 -1.248 20 0 GAADMN CCS(=O)(=O)NCC(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001578416556 1075426415 /nfs/dbraw/zinc/42/64/15/1075426415.db2.gz UVLXURVASPPXSW-JTQLQIEISA-N 0 1 382.450 -1.213 20 0 GAADMN CCS(=O)(=O)NCC(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001578416557 1075426444 /nfs/dbraw/zinc/42/64/44/1075426444.db2.gz UVLXURVASPPXSW-SNVBAGLBSA-N 0 1 382.450 -1.213 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578416562 1075426354 /nfs/dbraw/zinc/42/63/54/1075426354.db2.gz UZUXUBCUNWGAGT-NXEZZACHSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578416563 1075426429 /nfs/dbraw/zinc/42/64/29/1075426429.db2.gz UZUXUBCUNWGAGT-UWVGGRQHSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578416564 1075426410 /nfs/dbraw/zinc/42/64/10/1075426410.db2.gz UZUXUBCUNWGAGT-VHSXEESVSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001578416565 1075426424 /nfs/dbraw/zinc/42/64/24/1075426424.db2.gz UZUXUBCUNWGAGT-ZJUUUORDSA-N 0 1 382.450 -1.072 20 0 GAADMN CCS(=O)(=O)NCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001578416575 1075426493 /nfs/dbraw/zinc/42/64/93/1075426493.db2.gz VUTBWMHJYATCED-UHFFFAOYSA-N 0 1 381.422 -1.921 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578416624 1075426824 /nfs/dbraw/zinc/42/68/24/1075426824.db2.gz XKIMWECYJKVEHP-JTQLQIEISA-N 0 1 382.450 -1.152 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578416628 1075426868 /nfs/dbraw/zinc/42/68/68/1075426868.db2.gz XKIMWECYJKVEHP-SNVBAGLBSA-N 0 1 382.450 -1.152 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578416730 1075427221 /nfs/dbraw/zinc/42/72/21/1075427221.db2.gz ZCLKOIUYEIDEJZ-BDAKNGLRSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578416731 1075427402 /nfs/dbraw/zinc/42/74/02/1075427402.db2.gz ZCLKOIUYEIDEJZ-DTWKUNHWSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578416732 1075427389 /nfs/dbraw/zinc/42/73/89/1075427389.db2.gz ZCLKOIUYEIDEJZ-IUCAKERBSA-N 0 1 383.438 -1.677 20 0 GAADMN CCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578416733 1075427261 /nfs/dbraw/zinc/42/72/61/1075427261.db2.gz ZCLKOIUYEIDEJZ-RKDXNWHRSA-N 0 1 383.438 -1.677 20 0 GAADMN CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O)[NH+](C)C ZINC001578420206 1075427377 /nfs/dbraw/zinc/42/73/77/1075427377.db2.gz ZPPFNSOHDGVJNH-AGIUHOORSA-N 0 1 375.437 -1.029 20 0 GAADMN CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O)[NH+](C)C ZINC001578420207 1075427408 /nfs/dbraw/zinc/42/74/08/1075427408.db2.gz ZPPFNSOHDGVJNH-FRRDWIJNSA-N 0 1 375.437 -1.029 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001578446607 1075427824 /nfs/dbraw/zinc/42/78/24/1075427824.db2.gz CEMLZWUWRNENLD-GRYCIOLGSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001578446607 1075427819 /nfs/dbraw/zinc/42/78/19/1075427819.db2.gz CEMLZWUWRNENLD-GRYCIOLGSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001578446607 1075427813 /nfs/dbraw/zinc/42/78/13/1075427813.db2.gz CEMLZWUWRNENLD-GRYCIOLGSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001578446608 1075427769 /nfs/dbraw/zinc/42/77/69/1075427769.db2.gz CEMLZWUWRNENLD-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001578446608 1075427765 /nfs/dbraw/zinc/42/77/65/1075427765.db2.gz CEMLZWUWRNENLD-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001578446608 1075427760 /nfs/dbraw/zinc/42/77/60/1075427760.db2.gz CEMLZWUWRNENLD-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001578447057 1075427736 /nfs/dbraw/zinc/42/77/36/1075427736.db2.gz MPRJHXWDJZSXNG-GRYCIOLGSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001578447057 1075427730 /nfs/dbraw/zinc/42/77/30/1075427730.db2.gz MPRJHXWDJZSXNG-GRYCIOLGSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001578447057 1075427726 /nfs/dbraw/zinc/42/77/26/1075427726.db2.gz MPRJHXWDJZSXNG-GRYCIOLGSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001578447142 1075427841 /nfs/dbraw/zinc/42/78/41/1075427841.db2.gz MPRJHXWDJZSXNG-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001578447142 1075427838 /nfs/dbraw/zinc/42/78/38/1075427838.db2.gz MPRJHXWDJZSXNG-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001578447142 1075427836 /nfs/dbraw/zinc/42/78/36/1075427836.db2.gz MPRJHXWDJZSXNG-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O)[NH+](C)C ZINC001578472310 1075428335 /nfs/dbraw/zinc/42/83/35/1075428335.db2.gz ZPPFNSOHDGVJNH-JHJVBQTASA-N 0 1 375.437 -1.029 20 0 GAADMN CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O)[NH+](C)C ZINC001578472312 1075428351 /nfs/dbraw/zinc/42/83/51/1075428351.db2.gz ZPPFNSOHDGVJNH-UPJWGTAASA-N 0 1 375.437 -1.029 20 0 GAADMN CCc1c(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001578488460 1075428403 /nfs/dbraw/zinc/42/84/03/1075428403.db2.gz OIUUXDNANZQLFB-JTQLQIEISA-N 0 1 386.420 -1.081 20 0 GAADMN CCc1c(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001578488461 1075428391 /nfs/dbraw/zinc/42/83/91/1075428391.db2.gz OIUUXDNANZQLFB-SNVBAGLBSA-N 0 1 386.420 -1.081 20 0 GAADMN CCc1c(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001578489998 1075428382 /nfs/dbraw/zinc/42/83/82/1075428382.db2.gz AFQQQLBBYBXNDF-UHFFFAOYSA-N 0 1 386.420 -1.079 20 0 GAADMN CCc1c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cnn1C ZINC001578492805 1075428924 /nfs/dbraw/zinc/42/89/24/1075428924.db2.gz NJIZAMHABOBCHY-ZYHUDNBSSA-N 0 1 384.404 -1.068 20 0 GAADMN CCc1cc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001578495872 1075428808 /nfs/dbraw/zinc/42/88/08/1075428808.db2.gz LMOWCIPFRILSBN-LLVKDONJSA-N 0 1 386.420 -1.081 20 0 GAADMN CCc1cc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001578495873 1075428977 /nfs/dbraw/zinc/42/89/77/1075428977.db2.gz LMOWCIPFRILSBN-NSHDSACASA-N 0 1 386.420 -1.081 20 0 GAADMN CCc1cc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n(C)n1 ZINC001578496443 1075428769 /nfs/dbraw/zinc/42/87/69/1075428769.db2.gz WNNLLSYVNPQZQP-LLVKDONJSA-N 0 1 386.420 -1.081 20 0 GAADMN CCc1cc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n(C)n1 ZINC001578496444 1075428908 /nfs/dbraw/zinc/42/89/08/1075428908.db2.gz WNNLLSYVNPQZQP-NSHDSACASA-N 0 1 386.420 -1.081 20 0 GAADMN CCc1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001578497654 1075428859 /nfs/dbraw/zinc/42/88/59/1075428859.db2.gz FYTLGRZDKFBRNJ-UHFFFAOYSA-N 0 1 386.420 -1.079 20 0 GAADMN CCc1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n(C)n1 ZINC001578497655 1075428818 /nfs/dbraw/zinc/42/88/18/1075428818.db2.gz GCGQQWVIIPMDFI-UHFFFAOYSA-N 0 1 386.420 -1.079 20 0 GAADMN CCc1cc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(C)nn1 ZINC001578506304 1075428876 /nfs/dbraw/zinc/42/88/76/1075428876.db2.gz KKLBTKXAIBEUJI-LLVKDONJSA-N 0 1 384.404 -1.058 20 0 GAADMN CCc1cc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(C)nn1 ZINC001578506305 1075428778 /nfs/dbraw/zinc/42/87/78/1075428778.db2.gz KKLBTKXAIBEUJI-NSHDSACASA-N 0 1 384.404 -1.058 20 0 GAADMN CCc1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(C)nn1 ZINC001578508513 1075428762 /nfs/dbraw/zinc/42/87/62/1075428762.db2.gz NOWGCHPAQQOZSW-LLVKDONJSA-N 0 1 384.404 -1.058 20 0 GAADMN CCc1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(C)nn1 ZINC001578508514 1075428849 /nfs/dbraw/zinc/42/88/49/1075428849.db2.gz NOWGCHPAQQOZSW-NSHDSACASA-N 0 1 384.404 -1.058 20 0 GAADMN CCc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1C ZINC001578512423 1075428960 /nfs/dbraw/zinc/42/89/60/1075428960.db2.gz CQNQFIWTHWUJLR-NEPJUHHUSA-N 0 1 384.404 -1.068 20 0 GAADMN CCc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1C ZINC001578512425 1075429312 /nfs/dbraw/zinc/42/93/12/1075429312.db2.gz CQNQFIWTHWUJLR-VXGBXAGGSA-N 0 1 384.404 -1.068 20 0 GAADMN CCc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n(C)n1 ZINC001578512475 1075429385 /nfs/dbraw/zinc/42/93/85/1075429385.db2.gz HGZGVMOFDBDEAK-PWSUYJOCSA-N 0 1 384.404 -1.068 20 0 GAADMN CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)CN)CCO1 ZINC001578548426 1075429874 /nfs/dbraw/zinc/42/98/74/1075429874.db2.gz MPXDJMNBAGNEKZ-JTQLQIEISA-N 0 1 389.407 -1.039 20 0 GAADMN CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)CN)CCO1 ZINC001578548427 1075429860 /nfs/dbraw/zinc/42/98/60/1075429860.db2.gz MPXDJMNBAGNEKZ-SNVBAGLBSA-N 0 1 389.407 -1.039 20 0 GAADMN CCc1c[nH]c(CC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578551191 1075429789 /nfs/dbraw/zinc/42/97/89/1075429789.db2.gz YKTICWHDCBNJPJ-UHFFFAOYSA-N 0 1 386.420 -1.160 20 0 GAADMN CCc1c[nH]c(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578555510 1075430394 /nfs/dbraw/zinc/43/03/94/1075430394.db2.gz WQSOGNLXBHLGCD-GHMZBOCLSA-N 0 1 384.404 -1.149 20 0 GAADMN CCc1c[nH]c(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001578555511 1075430273 /nfs/dbraw/zinc/43/02/73/1075430273.db2.gz WQSOGNLXBHLGCD-MNOVXSKESA-N 0 1 384.404 -1.149 20 0 GAADMN CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001578596716 1075432474 /nfs/dbraw/zinc/43/24/74/1075432474.db2.gz ALRSNHNPNVHTTO-VXGBXAGGSA-N 0 1 375.437 -1.164 20 0 GAADMN CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001578596716 1075432471 /nfs/dbraw/zinc/43/24/71/1075432471.db2.gz ALRSNHNPNVHTTO-VXGBXAGGSA-N 0 1 375.437 -1.164 20 0 GAADMN CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001578597215 1075433125 /nfs/dbraw/zinc/43/31/25/1075433125.db2.gz ALRSNHNPNVHTTO-NEPJUHHUSA-N 0 1 375.437 -1.164 20 0 GAADMN CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001578597215 1075433121 /nfs/dbraw/zinc/43/31/21/1075433121.db2.gz ALRSNHNPNVHTTO-NEPJUHHUSA-N 0 1 375.437 -1.164 20 0 GAADMN CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597265 1075433065 /nfs/dbraw/zinc/43/30/65/1075433065.db2.gz CBFIFDPBPYDEQD-RTXFEEFZSA-N 0 1 387.448 -1.164 20 0 GAADMN CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597265 1075433063 /nfs/dbraw/zinc/43/30/63/1075433063.db2.gz CBFIFDPBPYDEQD-RTXFEEFZSA-N 0 1 387.448 -1.164 20 0 GAADMN CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597265 1075433060 /nfs/dbraw/zinc/43/30/60/1075433060.db2.gz CBFIFDPBPYDEQD-RTXFEEFZSA-N 0 1 387.448 -1.164 20 0 GAADMN CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597265 1075433058 /nfs/dbraw/zinc/43/30/58/1075433058.db2.gz CBFIFDPBPYDEQD-RTXFEEFZSA-N 0 1 387.448 -1.164 20 0 GAADMN CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597267 1075433027 /nfs/dbraw/zinc/43/30/27/1075433027.db2.gz CBFIFDPBPYDEQD-UHTWSYAYSA-N 0 1 387.448 -1.164 20 0 GAADMN CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597267 1075433026 /nfs/dbraw/zinc/43/30/26/1075433026.db2.gz CBFIFDPBPYDEQD-UHTWSYAYSA-N 0 1 387.448 -1.164 20 0 GAADMN CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597267 1075433023 /nfs/dbraw/zinc/43/30/23/1075433023.db2.gz CBFIFDPBPYDEQD-UHTWSYAYSA-N 0 1 387.448 -1.164 20 0 GAADMN CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597267 1075433021 /nfs/dbraw/zinc/43/30/21/1075433021.db2.gz CBFIFDPBPYDEQD-UHTWSYAYSA-N 0 1 387.448 -1.164 20 0 GAADMN CCc1ncncc1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578685788 1075437032 /nfs/dbraw/zinc/43/70/32/1075437032.db2.gz JPOBCBGQXYSCJG-UHFFFAOYSA-N 0 1 384.404 -1.022 20 0 GAADMN CCc1ncncc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578686376 1075437010 /nfs/dbraw/zinc/43/70/10/1075437010.db2.gz UWAKURKSJSJCTH-JTQLQIEISA-N 0 1 384.404 -1.024 20 0 GAADMN CCc1ncncc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578686377 1075437065 /nfs/dbraw/zinc/43/70/65/1075437065.db2.gz UWAKURKSJSJCTH-SNVBAGLBSA-N 0 1 384.404 -1.024 20 0 GAADMN CCc1ncncc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001578690011 1075437139 /nfs/dbraw/zinc/43/71/39/1075437139.db2.gz UEFQFLRLTXDJRX-NEPJUHHUSA-N 0 1 382.388 -1.011 20 0 GAADMN CCc1nn(C)cc1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001578697116 1075437683 /nfs/dbraw/zinc/43/76/83/1075437683.db2.gz ZKRVERVORNMRPM-UHFFFAOYSA-N 0 1 386.420 -1.079 20 0 GAADMN CCc1nn(C)cc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001578699344 1075437580 /nfs/dbraw/zinc/43/75/80/1075437580.db2.gz DYENQSFXJQXAGH-NEPJUHHUSA-N 0 1 384.404 -1.068 20 0 GAADMN CCc1nn(C)cc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001578699345 1075437512 /nfs/dbraw/zinc/43/75/12/1075437512.db2.gz DYENQSFXJQXAGH-VXGBXAGGSA-N 0 1 384.404 -1.068 20 0 GAADMN CCc1nnc(C)cc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578701927 1075437568 /nfs/dbraw/zinc/43/75/68/1075437568.db2.gz FJOXGNMXGQOJMB-JTQLQIEISA-N 0 1 384.404 -1.058 20 0 GAADMN CCc1nnc(C)cc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578701929 1075437483 /nfs/dbraw/zinc/43/74/83/1075437483.db2.gz FJOXGNMXGQOJMB-SNVBAGLBSA-N 0 1 384.404 -1.058 20 0 GAADMN CCc1nnc(C)cc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578702424 1075437532 /nfs/dbraw/zinc/43/75/32/1075437532.db2.gz SQRHLVTZDIZTOC-JTQLQIEISA-N 0 1 384.404 -1.058 20 0 GAADMN CCc1nnc(C)cc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578702425 1075437948 /nfs/dbraw/zinc/43/79/48/1075437948.db2.gz SQRHLVTZDIZTOC-SNVBAGLBSA-N 0 1 384.404 -1.058 20 0 GAADMN CCc1nnsc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578707100 1075437999 /nfs/dbraw/zinc/43/79/99/1075437999.db2.gz FOYGRWDMUDHTPN-SSDOTTSWSA-N 0 1 376.406 -1.305 20 0 GAADMN CCc1nnsc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578707101 1075438092 /nfs/dbraw/zinc/43/80/92/1075438092.db2.gz FOYGRWDMUDHTPN-ZETCQYMHSA-N 0 1 376.406 -1.305 20 0 GAADMN CCc1nnsc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578708393 1075438033 /nfs/dbraw/zinc/43/80/33/1075438033.db2.gz SAMACPBNHQMLLS-SSDOTTSWSA-N 0 1 376.406 -1.305 20 0 GAADMN CCc1nnsc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578708394 1075438014 /nfs/dbraw/zinc/43/80/14/1075438014.db2.gz SAMACPBNHQMLLS-ZETCQYMHSA-N 0 1 376.406 -1.305 20 0 GAADMN CCn1cc(C(=O)N(C)C[C@@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001578737761 1075438435 /nfs/dbraw/zinc/43/84/35/1075438435.db2.gz RNSDBSWGZDATJW-JTQLQIEISA-N 0 1 387.408 -1.163 20 0 GAADMN CCn1cc(C(=O)N(C)C[C@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001578737763 1075438497 /nfs/dbraw/zinc/43/84/97/1075438497.db2.gz RNSDBSWGZDATJW-SNVBAGLBSA-N 0 1 387.408 -1.163 20 0 GAADMN CCn1cc(C(=O)N(C)CCOCCNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001578739098 1075438428 /nfs/dbraw/zinc/43/84/28/1075438428.db2.gz MGUHFOYIIAUTFY-UHFFFAOYSA-N 0 1 387.408 -1.109 20 0 GAADMN CCn1cc(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001578747244 1075439354 /nfs/dbraw/zinc/43/93/54/1075439354.db2.gz DAMJTACTKZCONM-HNNXBMFYSA-N 0 1 385.392 -1.361 20 0 GAADMN CCn1cc(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001578747245 1075439264 /nfs/dbraw/zinc/43/92/64/1075439264.db2.gz DAMJTACTKZCONM-OAHLLOKOSA-N 0 1 385.392 -1.361 20 0 GAADMN CCn1cc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001578750033 1075439932 /nfs/dbraw/zinc/43/99/32/1075439932.db2.gz LGYRSOVDOOBSQO-JTQLQIEISA-N 0 1 385.392 -1.097 20 0 GAADMN CCn1cc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001578750036 1075439946 /nfs/dbraw/zinc/43/99/46/1075439946.db2.gz LGYRSOVDOOBSQO-SNVBAGLBSA-N 0 1 385.392 -1.097 20 0 GAADMN CCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2OC)nn1 ZINC001578752075 1075439735 /nfs/dbraw/zinc/43/97/35/1075439735.db2.gz UEDYXAACDKAIFY-MWLCHTKSSA-N 0 1 385.392 -1.098 20 0 GAADMN CCn1cc(CC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001578753163 1075439860 /nfs/dbraw/zinc/43/98/60/1075439860.db2.gz BRNAFUYAYAWBLT-UHFFFAOYSA-N 0 1 386.420 -1.230 20 0 GAADMN CCn1cc(CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001578753798 1075439941 /nfs/dbraw/zinc/43/99/41/1075439941.db2.gz QDRWFLBXLXTEAG-GFCCVEGCSA-N 0 1 386.420 -1.231 20 0 GAADMN CCn1cc(CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001578753799 1075439812 /nfs/dbraw/zinc/43/98/12/1075439812.db2.gz QDRWFLBXLXTEAG-LBPRGKRZSA-N 0 1 386.420 -1.231 20 0 GAADMN CCn1cc(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cn1 ZINC001578754819 1075440393 /nfs/dbraw/zinc/44/03/93/1075440393.db2.gz GEQBRFKPADCPIM-NEPJUHHUSA-N 0 1 384.404 -1.219 20 0 GAADMN CCn1ccc(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001578771641 1075440482 /nfs/dbraw/zinc/44/04/82/1075440482.db2.gz BCDOKBWAEQGBDR-NEPJUHHUSA-N 0 1 384.404 -1.219 20 0 GAADMN CCn1ccc(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578771644 1075440266 /nfs/dbraw/zinc/44/02/66/1075440266.db2.gz BCDOKBWAEQGBDR-VXGBXAGGSA-N 0 1 384.404 -1.219 20 0 GAADMN CCn1ccc(CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578772755 1075440728 /nfs/dbraw/zinc/44/07/28/1075440728.db2.gz DSKIKDDKIFIZKY-GFCCVEGCSA-N 0 1 386.420 -1.231 20 0 GAADMN CCn1ccc(CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578772756 1075440760 /nfs/dbraw/zinc/44/07/60/1075440760.db2.gz DSKIKDDKIFIZKY-LBPRGKRZSA-N 0 1 386.420 -1.231 20 0 GAADMN CCn1ccc(CC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578773151 1075440776 /nfs/dbraw/zinc/44/07/76/1075440776.db2.gz MLMAXGBCTPDHAP-UHFFFAOYSA-N 0 1 386.420 -1.230 20 0 GAADMN CCn1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001578800895 1075441255 /nfs/dbraw/zinc/44/12/55/1075441255.db2.gz FOQFGEZQYXOEBR-JTQLQIEISA-N 0 1 382.388 -1.018 20 0 GAADMN CCn1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001578800896 1075441272 /nfs/dbraw/zinc/44/12/72/1075441272.db2.gz FOQFGEZQYXOEBR-SNVBAGLBSA-N 0 1 382.388 -1.018 20 0 GAADMN CCn1nc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)ccc1=O ZINC001578802227 1075441380 /nfs/dbraw/zinc/44/13/80/1075441380.db2.gz PWMLPJGVQILVRJ-JTQLQIEISA-N 0 1 385.388 -1.537 20 0 GAADMN CCn1nc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)ccc1=O ZINC001578802229 1075441306 /nfs/dbraw/zinc/44/13/06/1075441306.db2.gz PWMLPJGVQILVRJ-SNVBAGLBSA-N 0 1 385.388 -1.537 20 0 GAADMN CCn1nc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)ccc1=O ZINC001578802683 1075441224 /nfs/dbraw/zinc/44/12/24/1075441224.db2.gz SRXFZBDFPFGPAI-JTQLQIEISA-N 0 1 385.388 -1.537 20 0 GAADMN CCn1nc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)ccc1=O ZINC001578802684 1075441263 /nfs/dbraw/zinc/44/12/63/1075441263.db2.gz SRXFZBDFPFGPAI-SNVBAGLBSA-N 0 1 385.388 -1.537 20 0 GAADMN CCn1nc(C)c(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578802699 1075441278 /nfs/dbraw/zinc/44/12/78/1075441278.db2.gz UEUKDJRQIVJNDY-JTQLQIEISA-N 0 1 387.408 -1.457 20 0 GAADMN CCn1nc(C)c(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578802700 1075441367 /nfs/dbraw/zinc/44/13/67/1075441367.db2.gz UEUKDJRQIVJNDY-SNVBAGLBSA-N 0 1 387.408 -1.457 20 0 GAADMN CCn1nc(C)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578805608 1075441298 /nfs/dbraw/zinc/44/12/98/1075441298.db2.gz LGMBJIFQHMTJEN-NXEZZACHSA-N 0 1 385.392 -1.444 20 0 GAADMN CCn1nc(C)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001578805611 1075441313 /nfs/dbraw/zinc/44/13/13/1075441313.db2.gz LGMBJIFQHMTJEN-ZJUUUORDSA-N 0 1 385.392 -1.444 20 0 GAADMN CCn1nc(C)c(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578807797 1075441337 /nfs/dbraw/zinc/44/13/37/1075441337.db2.gz VBMGXATVCZNFOQ-UHFFFAOYSA-N 0 1 387.408 -1.455 20 0 GAADMN CCn1ncc(C(=O)N(C)C[C@@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578811799 1075441877 /nfs/dbraw/zinc/44/18/77/1075441877.db2.gz HAAXVVKESAISMT-JTQLQIEISA-N 0 1 387.408 -1.163 20 0 GAADMN CCn1ncc(C(=O)N(C)C[C@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001578811800 1075441967 /nfs/dbraw/zinc/44/19/67/1075441967.db2.gz HAAXVVKESAISMT-SNVBAGLBSA-N 0 1 387.408 -1.163 20 0 GAADMN CCn1ncc(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001578814519 1075442175 /nfs/dbraw/zinc/44/21/75/1075442175.db2.gz OQPWLHMIRDEVGC-JTQLQIEISA-N 0 1 385.392 -1.357 20 0 GAADMN CCn1ncc(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001578814520 1075442390 /nfs/dbraw/zinc/44/23/90/1075442390.db2.gz OQPWLHMIRDEVGC-SNVBAGLBSA-N 0 1 385.392 -1.357 20 0 GAADMN CCn1ncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578816238 1075442192 /nfs/dbraw/zinc/44/21/92/1075442192.db2.gz LYXHMOIVXNKYMH-GXSJLCMTSA-N 0 1 385.392 -1.362 20 0 GAADMN CCn1ncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001578816239 1075442336 /nfs/dbraw/zinc/44/23/36/1075442336.db2.gz LYXHMOIVXNKYMH-KOLCDFICSA-N 0 1 385.392 -1.362 20 0 GAADMN CCn1ncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001578816240 1075442366 /nfs/dbraw/zinc/44/23/66/1075442366.db2.gz LYXHMOIVXNKYMH-MWLCHTKSSA-N 0 1 385.392 -1.362 20 0 GAADMN CCn1ncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001578816241 1075442380 /nfs/dbraw/zinc/44/23/80/1075442380.db2.gz LYXHMOIVXNKYMH-ONGXEEELSA-N 0 1 385.392 -1.362 20 0 GAADMN CCn1ncc(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001578817139 1075442864 /nfs/dbraw/zinc/44/28/64/1075442864.db2.gz FJXSUDIKOCXUDB-HNNXBMFYSA-N 0 1 385.392 -1.361 20 0 GAADMN CCn1ncc(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001578817141 1075442720 /nfs/dbraw/zinc/44/27/20/1075442720.db2.gz FJXSUDIKOCXUDB-OAHLLOKOSA-N 0 1 385.392 -1.361 20 0 GAADMN CCn1ncc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001578818739 1075443191 /nfs/dbraw/zinc/44/31/91/1075443191.db2.gz CJOSSEVUXHKBKU-JTQLQIEISA-N 0 1 385.392 -1.097 20 0 GAADMN CCn1ncc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001578818740 1075443237 /nfs/dbraw/zinc/44/32/37/1075443237.db2.gz CJOSSEVUXHKBKU-SNVBAGLBSA-N 0 1 385.392 -1.097 20 0 GAADMN CCn1ncc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2OC)n1 ZINC001578820058 1075443863 /nfs/dbraw/zinc/44/38/63/1075443863.db2.gz DYNISOKAYFCUDE-GHMZBOCLSA-N 0 1 385.392 -1.098 20 0 GAADMN CCn1nncc1C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001578832527 1075444422 /nfs/dbraw/zinc/44/44/22/1075444422.db2.gz RWXNYQQSABHFBO-JTQLQIEISA-N 0 1 387.408 -1.163 20 0 GAADMN CCn1nncc1C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001578832528 1075444220 /nfs/dbraw/zinc/44/42/20/1075444220.db2.gz RWXNYQQSABHFBO-SNVBAGLBSA-N 0 1 387.408 -1.163 20 0 GAADMN CCn1nncc1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578833621 1075444319 /nfs/dbraw/zinc/44/43/19/1075444319.db2.gz DOYJVYJYKSPLSQ-JTQLQIEISA-N 0 1 385.392 -1.357 20 0 GAADMN CCn1nncc1C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578833622 1075444356 /nfs/dbraw/zinc/44/43/56/1075444356.db2.gz DOYJVYJYKSPLSQ-SNVBAGLBSA-N 0 1 385.392 -1.357 20 0 GAADMN CCn1nncc1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001578837417 1075445293 /nfs/dbraw/zinc/44/52/93/1075445293.db2.gz NUBKKPKAYXHWFP-JTQLQIEISA-N 0 1 385.392 -1.097 20 0 GAADMN CCn1nncc1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001578837418 1075445188 /nfs/dbraw/zinc/44/51/88/1075445188.db2.gz NUBKKPKAYXHWFP-SNVBAGLBSA-N 0 1 385.392 -1.097 20 0 GAADMN CCn1nncc1C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578838114 1075445227 /nfs/dbraw/zinc/44/52/27/1075445227.db2.gz VALMTQUOJCHGAZ-HNNXBMFYSA-N 0 1 385.392 -1.361 20 0 GAADMN CCn1nncc1C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578838115 1075445167 /nfs/dbraw/zinc/44/51/67/1075445167.db2.gz VALMTQUOJCHGAZ-OAHLLOKOSA-N 0 1 385.392 -1.361 20 0 GAADMN CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578857809 1075445691 /nfs/dbraw/zinc/44/56/91/1075445691.db2.gz COZFRGZUYIRJDS-SRHKJQAYSA-N 0 1 392.445 -1.223 20 0 GAADMN CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578857810 1075446061 /nfs/dbraw/zinc/44/60/61/1075446061.db2.gz COZFRGZUYIRJDS-ZPPKWKGLSA-N 0 1 392.445 -1.223 20 0 GAADMN CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578858569 1075446218 /nfs/dbraw/zinc/44/62/18/1075446218.db2.gz QLCSEJXKCMOPLU-KPPDAEKUSA-N 0 1 392.445 -1.085 20 0 GAADMN CN(C(=O)[C@H]1CCS(=O)(=O)C1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578858570 1075446366 /nfs/dbraw/zinc/44/63/66/1075446366.db2.gz QLCSEJXKCMOPLU-WHXUTIOJSA-N 0 1 392.445 -1.085 20 0 GAADMN CN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578860790 1075446135 /nfs/dbraw/zinc/44/61/35/1075446135.db2.gz FGJNHAPUKYBQSV-IDKOKCKLSA-N 0 1 385.388 -1.467 20 0 GAADMN CN(C(=O)C[C@H]1CC(=O)NC1=O)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578860791 1075446199 /nfs/dbraw/zinc/44/61/99/1075446199.db2.gz FGJNHAPUKYBQSV-XNWIYYODSA-N 0 1 385.388 -1.467 20 0 GAADMN CN(C(=O)C1CS(=O)(=O)C1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578861023 1075446378 /nfs/dbraw/zinc/44/63/78/1075446378.db2.gz AVDUQRNHNOETNJ-UHFFFAOYSA-N 0 1 378.418 -1.476 20 0 GAADMN CN(C(=O)[C@@H]1CNC(=O)N1)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001578862657 1075446710 /nfs/dbraw/zinc/44/67/10/1075446710.db2.gz NUMMSNSKBODWNR-ILDUYXDCSA-N 0 1 386.420 -1.059 20 0 GAADMN CN(C(=O)[C@H]1CNC(=O)N1)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001578862658 1075446783 /nfs/dbraw/zinc/44/67/83/1075446783.db2.gz NUMMSNSKBODWNR-VQXHTEKXSA-N 0 1 386.420 -1.059 20 0 GAADMN CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578863005 1075446774 /nfs/dbraw/zinc/44/67/74/1075446774.db2.gz SPDWOMYNPGJJKW-JTQLQIEISA-N 0 1 378.418 -1.262 20 0 GAADMN CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578863006 1075446762 /nfs/dbraw/zinc/44/67/62/1075446762.db2.gz SPDWOMYNPGJJKW-SNVBAGLBSA-N 0 1 378.418 -1.262 20 0 GAADMN CN(C(=O)C1CS(=O)(=O)C1)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001578863132 1075446792 /nfs/dbraw/zinc/44/67/92/1075446792.db2.gz WJMSNQBPOQHXDM-LLVKDONJSA-N 0 1 392.445 -1.228 20 0 GAADMN CN(C(=O)C1CS(=O)(=O)C1)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001578863133 1075446847 /nfs/dbraw/zinc/44/68/47/1075446847.db2.gz WJMSNQBPOQHXDM-NSHDSACASA-N 0 1 392.445 -1.228 20 0 GAADMN CN(C(=O)CC1CS(=O)(=O)C1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578868600 1075447363 /nfs/dbraw/zinc/44/73/63/1075447363.db2.gz FWRLDQIMQVNEFC-UHFFFAOYSA-N 0 1 392.445 -1.085 20 0 GAADMN CN(C(=O)CCS(C)(=O)=O)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578873571 1075447284 /nfs/dbraw/zinc/44/72/84/1075447284.db2.gz MKESYNQPMPEIFT-UHFFFAOYSA-N 0 1 380.434 -1.085 20 0 GAADMN CN(C(=O)CCn1cnnn1)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001578875826 1075447190 /nfs/dbraw/zinc/44/71/90/1075447190.db2.gz BXRZYCVKWGWISU-LLVKDONJSA-N 0 1 384.408 -1.196 20 0 GAADMN CN(C(=O)CCn1cnnn1)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001578875827 1075447236 /nfs/dbraw/zinc/44/72/36/1075447236.db2.gz BXRZYCVKWGWISU-NSHDSACASA-N 0 1 384.408 -1.196 20 0 GAADMN CN(C(=O)CN1CCNC(=O)C1)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578878014 1075448400 /nfs/dbraw/zinc/44/84/00/1075448400.db2.gz HBARNKPGHOQBSZ-UHFFFAOYSA-N 0 1 385.432 -1.483 20 0 GAADMN CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578878512 1075448785 /nfs/dbraw/zinc/44/87/85/1075448785.db2.gz PQHHHBVBYXOPBY-LLVKDONJSA-N 0 1 386.420 -1.874 20 0 GAADMN CN(C(=O)CN1CCNC(=O)C1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578878513 1075448892 /nfs/dbraw/zinc/44/88/92/1075448892.db2.gz PQHHHBVBYXOPBY-NSHDSACASA-N 0 1 386.420 -1.874 20 0 GAADMN CN(C(=O)CN1CCOCC1=O)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578878515 1075448704 /nfs/dbraw/zinc/44/87/04/1075448704.db2.gz PRMDZKHKRBTXQD-LLVKDONJSA-N 0 1 387.404 -1.447 20 0 GAADMN CN(C(=O)CN1CCOCC1=O)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578878516 1075448815 /nfs/dbraw/zinc/44/88/15/1075448815.db2.gz PRMDZKHKRBTXQD-NSHDSACASA-N 0 1 387.404 -1.447 20 0 GAADMN CN(C(=O)CN1CCOCC1=O)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578878766 1075449155 /nfs/dbraw/zinc/44/91/55/1075449155.db2.gz ZGWOLKQXBALPED-UHFFFAOYSA-N 0 1 387.404 -1.661 20 0 GAADMN CN(C(=O)CS(C)(=O)=O)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001578879456 1075449300 /nfs/dbraw/zinc/44/93/00/1075449300.db2.gz MAJIWJUFKVRIHA-JTQLQIEISA-N 0 1 380.434 -1.228 20 0 GAADMN CN(C(=O)CS(C)(=O)=O)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001578879457 1075449166 /nfs/dbraw/zinc/44/91/66/1075449166.db2.gz MAJIWJUFKVRIHA-SNVBAGLBSA-N 0 1 380.434 -1.228 20 0 GAADMN CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578887276 1075449766 /nfs/dbraw/zinc/44/97/66/1075449766.db2.gz AHOFMFSQFPNENT-JTQLQIEISA-N 0 1 385.392 -1.711 20 0 GAADMN CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578887277 1075450155 /nfs/dbraw/zinc/45/01/55/1075450155.db2.gz AHOFMFSQFPNENT-SNVBAGLBSA-N 0 1 385.392 -1.711 20 0 GAADMN CN(C(=O)Cn1ncn(C)c1=O)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578887372 1075450226 /nfs/dbraw/zinc/45/02/26/1075450226.db2.gz DTPIMQOEHRQARC-UHFFFAOYSA-N 0 1 385.392 -1.925 20 0 GAADMN CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578888452 1075450655 /nfs/dbraw/zinc/45/06/55/1075450655.db2.gz UHPWRRGXNWRDQF-KWPJZBAWSA-N 0 1 385.388 -1.317 20 0 GAADMN CN(C(=O)Cn1ncnn1)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001578888719 1075451049 /nfs/dbraw/zinc/45/10/49/1075451049.db2.gz WQRIFBKAOILELJ-UHFFFAOYSA-N 0 1 384.408 -1.053 20 0 GAADMN CN(C(=O)Cn1ncn(C)c1=O)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578888949 1075451196 /nfs/dbraw/zinc/45/11/96/1075451196.db2.gz ZNIQWAFPCGHEFZ-UHFFFAOYSA-N 0 1 384.404 -1.320 20 0 GAADMN CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578893793 1075450917 /nfs/dbraw/zinc/45/09/17/1075450917.db2.gz PSBCVRCNWRGRRU-GARJFASQSA-N 0 1 387.404 -1.273 20 0 GAADMN CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578893796 1075451185 /nfs/dbraw/zinc/45/11/85/1075451185.db2.gz PSBCVRCNWRGRRU-OUAUKWLOSA-N 0 1 387.404 -1.273 20 0 GAADMN CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578894138 1075451069 /nfs/dbraw/zinc/45/10/69/1075451069.db2.gz SLFBIOMUEMKKIV-WFBLGPOFSA-N 0 1 387.404 -1.487 20 0 GAADMN CN(C(=O)c1cc(=O)n(C)cn1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578907646 1075453082 /nfs/dbraw/zinc/45/30/82/1075453082.db2.gz NUKFFZGJVHASST-UHFFFAOYSA-N 0 1 382.388 -1.113 20 0 GAADMN CN(C(=O)c1ccc(=O)n(C)n1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578921602 1075454458 /nfs/dbraw/zinc/45/44/58/1075454458.db2.gz UMZOMHKJIRKPNH-UHFFFAOYSA-N 0 1 382.388 -1.113 20 0 GAADMN CN(C(=O)c1cn(C)c(=O)n1C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578938324 1075454493 /nfs/dbraw/zinc/45/44/93/1075454493.db2.gz JLVMDJKGLFAQPE-UHFFFAOYSA-N 0 1 384.404 -1.169 20 0 GAADMN CN(C)C(=O)CCCC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578956005 1075455069 /nfs/dbraw/zinc/45/50/69/1075455069.db2.gz SDXQIGICTDZYMB-LLVKDONJSA-N 0 1 391.436 -1.432 20 0 GAADMN CN(C)C(=O)CCCC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578956006 1075455160 /nfs/dbraw/zinc/45/51/60/1075455160.db2.gz SDXQIGICTDZYMB-NSHDSACASA-N 0 1 391.436 -1.432 20 0 GAADMN CN(C)C(=O)CCCC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001578957195 1075456139 /nfs/dbraw/zinc/45/61/39/1075456139.db2.gz SIFPVRDEEBQLBI-LLVKDONJSA-N 0 1 376.421 -1.169 20 0 GAADMN CN(C)C(=O)CCCC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001578957196 1075456159 /nfs/dbraw/zinc/45/61/59/1075456159.db2.gz SIFPVRDEEBQLBI-NSHDSACASA-N 0 1 376.421 -1.169 20 0 GAADMN CN(C)C(=O)CCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001578957277 1075456129 /nfs/dbraw/zinc/45/61/29/1075456129.db2.gz WDHVMBKMQFWBGK-GHMZBOCLSA-N 0 1 389.420 -1.419 20 0 GAADMN CN(C)C(=O)CCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001578957278 1075455925 /nfs/dbraw/zinc/45/59/25/1075455925.db2.gz WDHVMBKMQFWBGK-MNOVXSKESA-N 0 1 389.420 -1.419 20 0 GAADMN CN(C)C(=O)CCCC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578957279 1075456172 /nfs/dbraw/zinc/45/61/72/1075456172.db2.gz WDWADLNYGRAGQV-JTQLQIEISA-N 0 1 377.409 -1.774 20 0 GAADMN CN(C)C(=O)CCCC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001578957280 1075455909 /nfs/dbraw/zinc/45/59/09/1075455909.db2.gz WDWADLNYGRAGQV-SNVBAGLBSA-N 0 1 377.409 -1.774 20 0 GAADMN CN(C)C(=O)CCCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578957360 1075456018 /nfs/dbraw/zinc/45/60/18/1075456018.db2.gz WIMQBPGDGGNAPB-JTQLQIEISA-N 0 1 377.409 -1.774 20 0 GAADMN CN(C)C(=O)CCCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578957361 1075456089 /nfs/dbraw/zinc/45/60/89/1075456089.db2.gz WIMQBPGDGGNAPB-SNVBAGLBSA-N 0 1 377.409 -1.774 20 0 GAADMN CN(C)C(=O)CCCC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001578957445 1075456543 /nfs/dbraw/zinc/45/65/43/1075456543.db2.gz YKWXZAZKTUYMOL-LLVKDONJSA-N 0 1 376.421 -1.169 20 0 GAADMN CN(C)C(=O)CCCC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001578957446 1075456486 /nfs/dbraw/zinc/45/64/86/1075456486.db2.gz YKWXZAZKTUYMOL-NSHDSACASA-N 0 1 376.421 -1.169 20 0 GAADMN CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001578957460 1075456444 /nfs/dbraw/zinc/45/64/44/1075456444.db2.gz ZAYDOBPUPZZQHW-UHFFFAOYSA-N 0 1 376.425 -1.483 20 0 GAADMN CN(C)C(=O)CN[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578958600 1075456521 /nfs/dbraw/zinc/45/65/21/1075456521.db2.gz FIXLXGALIQRDOX-INIZCTEOSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C)C(=O)CN[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578958601 1075456659 /nfs/dbraw/zinc/45/66/59/1075456659.db2.gz FIXLXGALIQRDOX-MRXNPFEDSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C)C(=O)CN[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578959991 1075457025 /nfs/dbraw/zinc/45/70/25/1075457025.db2.gz ZXRQTVGQGCBEGM-INIZCTEOSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C)C(=O)CN[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578959992 1075457016 /nfs/dbraw/zinc/45/70/16/1075457016.db2.gz ZXRQTVGQGCBEGM-MRXNPFEDSA-N 0 1 376.421 -1.160 20 0 GAADMN C[NH+](C)C1(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001578962239 1075457583 /nfs/dbraw/zinc/45/75/83/1075457583.db2.gz KQXLLPGBXWVUFA-UHFFFAOYSA-N 0 1 375.437 -1.204 20 0 GAADMN C[NH+](C)C1(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCOCC1 ZINC001578966112 1075457915 /nfs/dbraw/zinc/45/79/15/1075457915.db2.gz GBMZWWZIABBHKQ-UHFFFAOYSA-N 0 1 392.420 -1.254 20 0 GAADMN C[NH+](C)C1(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCOCC1 ZINC001578966341 1075457921 /nfs/dbraw/zinc/45/79/21/1075457921.db2.gz PFCXUOOTKUSTBY-UHFFFAOYSA-N 0 1 378.393 -1.644 20 0 GAADMN C[NH+](C)C1(CNC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001578966402 1075457928 /nfs/dbraw/zinc/45/79/28/1075457928.db2.gz QWOPXNRLZPRKDS-UHFFFAOYSA-N 0 1 375.393 -1.211 20 0 GAADMN C[NH+](C)[C@]1(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCSC1 ZINC001578966455 1075458544 /nfs/dbraw/zinc/45/85/44/1075458544.db2.gz SUERYBIMGXFJNK-AWEZNQCLSA-N 0 1 380.434 -1.318 20 0 GAADMN C[NH+](C)[C@@]1(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCSC1 ZINC001578966456 1075458487 /nfs/dbraw/zinc/45/84/87/1075458487.db2.gz SUERYBIMGXFJNK-CQSZACIVSA-N 0 1 380.434 -1.318 20 0 GAADMN C[NH+](C)C1(CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC1 ZINC001578966592 1075458478 /nfs/dbraw/zinc/45/84/78/1075458478.db2.gz YXDSQAWZKAVIEK-UHFFFAOYSA-N 0 1 377.409 -1.088 20 0 GAADMN C[NH+](C)CC1(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001578968024 1075458568 /nfs/dbraw/zinc/45/85/68/1075458568.db2.gz CNSINPFKFOZPJF-UHFFFAOYSA-N 0 1 375.437 -1.347 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001578968302 1075458578 /nfs/dbraw/zinc/45/85/78/1075458578.db2.gz GKWJROFRIMIFRO-LLVKDONJSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001578968303 1075458501 /nfs/dbraw/zinc/45/85/01/1075458501.db2.gz GKWJROFRIMIFRO-NSHDSACASA-N 0 1 375.437 -1.348 20 0 GAADMN C[NH+](C)C1CCN(CCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001578969052 1075458602 /nfs/dbraw/zinc/45/86/02/1075458602.db2.gz PYJNYWGLMYRUQJ-UHFFFAOYSA-N 0 1 391.436 -1.729 20 0 GAADMN C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001578972738 1075459181 /nfs/dbraw/zinc/45/91/81/1075459181.db2.gz BGQHJJVIHOXSLH-HNNXBMFYSA-N 0 1 378.393 -1.956 20 0 GAADMN C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001578972739 1075458939 /nfs/dbraw/zinc/45/89/39/1075458939.db2.gz BGQHJJVIHOXSLH-OAHLLOKOSA-N 0 1 378.393 -1.956 20 0 GAADMN C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001578973519 1075459630 /nfs/dbraw/zinc/45/96/30/1075459630.db2.gz RFBZITBMBSIDPG-INIZCTEOSA-N 0 1 392.420 -1.566 20 0 GAADMN C[NH+](C)C[C@]1(O)CCCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001578973520 1075459618 /nfs/dbraw/zinc/45/96/18/1075459618.db2.gz RFBZITBMBSIDPG-MRXNPFEDSA-N 0 1 392.420 -1.566 20 0 GAADMN C[NH+](C)CC1(O)CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001578973637 1075459658 /nfs/dbraw/zinc/45/96/58/1075459658.db2.gz WDIGPFATKFSAGL-UHFFFAOYSA-N 0 1 378.393 -1.956 20 0 GAADMN C[NH+](C)CCC(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001578974187 1075459470 /nfs/dbraw/zinc/45/94/70/1075459470.db2.gz JLQDTTIDWHLDJG-UHFFFAOYSA-N 0 1 375.437 -1.204 20 0 GAADMN C[NH+](C)CCC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001578976560 1075460095 /nfs/dbraw/zinc/46/00/95/1075460095.db2.gz DDCIWEDKQCDCDP-INIZCTEOSA-N 0 1 375.437 -1.204 20 0 GAADMN C[NH+](C)CCC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001578976562 1075460061 /nfs/dbraw/zinc/46/00/61/1075460061.db2.gz DDCIWEDKQCDCDP-MRXNPFEDSA-N 0 1 375.437 -1.204 20 0 GAADMN C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001578990952 1075461155 /nfs/dbraw/zinc/46/11/55/1075461155.db2.gz NGSGXRXYMZSBCX-LLVKDONJSA-N 0 1 392.420 -1.302 20 0 GAADMN C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001578990953 1075461176 /nfs/dbraw/zinc/46/11/76/1075461176.db2.gz NGSGXRXYMZSBCX-NSHDSACASA-N 0 1 392.420 -1.302 20 0 GAADMN C[NH+](C)CCN1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001578991933 1075461142 /nfs/dbraw/zinc/46/11/42/1075461142.db2.gz IAWCKCFWKSYNMP-UHFFFAOYSA-N 0 1 377.409 -2.165 20 0 GAADMN C[NH+](C)CCn1nccc1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001578992100 1075461127 /nfs/dbraw/zinc/46/11/27/1075461127.db2.gz LOLBQUQOSZKPFQ-UHFFFAOYSA-N 0 1 388.392 -1.084 20 0 GAADMN C[NH+](C)CCn1ccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001578992312 1075461063 /nfs/dbraw/zinc/46/10/63/1075461063.db2.gz RLIZZUUBSHFAIU-UHFFFAOYSA-N 0 1 388.392 -1.084 20 0 GAADMN C[NH+](C)CCN1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1=O ZINC001578992345 1075461228 /nfs/dbraw/zinc/46/12/28/1075461228.db2.gz SIHRUUPJCFAYRT-UHFFFAOYSA-N 0 1 391.392 -2.639 20 0 GAADMN C[NH+](C)CCn1cc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cn1 ZINC001578992366 1075461265 /nfs/dbraw/zinc/46/12/65/1075461265.db2.gz TZCJFZSLTHIOAD-UHFFFAOYSA-N 0 1 388.392 -1.084 20 0 GAADMN C[NH+](C)CCN1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001578992377 1075461054 /nfs/dbraw/zinc/46/10/54/1075461054.db2.gz UGMSWMBAOONCLG-UHFFFAOYSA-N 0 1 391.436 -1.775 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578992685 1075461204 /nfs/dbraw/zinc/46/12/04/1075461204.db2.gz APZIIIBQMJOYDP-SECBINFHSA-N 0 1 381.422 -2.017 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578992686 1075461215 /nfs/dbraw/zinc/46/12/15/1075461215.db2.gz APZIIIBQMJOYDP-VIFPVBQESA-N 0 1 381.422 -2.017 20 0 GAADMN CN(C)S(=O)(=O)C1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001578992818 1075461288 /nfs/dbraw/zinc/46/12/88/1075461288.db2.gz HSROZNAGAGHUGM-UHFFFAOYSA-N 0 1 384.426 -1.819 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001578995483 1075461641 /nfs/dbraw/zinc/46/16/41/1075461641.db2.gz BKHKYNZXIMPKAO-UHFFFAOYSA-N 0 1 380.434 -1.364 20 0 GAADMN CN(C)c1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)ccn1 ZINC001578995604 1075462376 /nfs/dbraw/zinc/46/23/76/1075462376.db2.gz VYKWWNQKNZRSJV-LLVKDONJSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)ccn1 ZINC001578995605 1075462402 /nfs/dbraw/zinc/46/24/02/1075462402.db2.gz VYKWWNQKNZRSJV-NSHDSACASA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1cc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)ccn1 ZINC001578995615 1075462316 /nfs/dbraw/zinc/46/23/16/1075462316.db2.gz WJELONHYBWZKTG-LLVKDONJSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)ccn1 ZINC001578995616 1075462303 /nfs/dbraw/zinc/46/23/03/1075462303.db2.gz WJELONHYBWZKTG-NSHDSACASA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001578995913 1075462277 /nfs/dbraw/zinc/46/22/77/1075462277.db2.gz GATWMVLUUDTONB-UHFFFAOYSA-N 0 1 388.479 -1.470 20 0 GAADMN CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001578995913 1075462275 /nfs/dbraw/zinc/46/22/75/1075462275.db2.gz GATWMVLUUDTONB-UHFFFAOYSA-N 0 1 388.479 -1.470 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578996017 1075462784 /nfs/dbraw/zinc/46/27/84/1075462784.db2.gz IQGYFSKESYVZCA-DTORHVGOSA-N 0 1 381.422 -1.971 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001578996045 1075462615 /nfs/dbraw/zinc/46/26/15/1075462615.db2.gz JDSSJANCYSTOJM-SECBINFHSA-N 0 1 384.422 -2.536 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001578996048 1075462713 /nfs/dbraw/zinc/46/27/13/1075462713.db2.gz JDSSJANCYSTOJM-VIFPVBQESA-N 0 1 384.422 -2.536 20 0 GAADMN C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001578996101 1075462891 /nfs/dbraw/zinc/46/28/91/1075462891.db2.gz LABXXEUGRQXYMJ-AOOOYVTPSA-N 0 1 377.409 -1.232 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578996330 1075463218 /nfs/dbraw/zinc/46/32/18/1075463218.db2.gz MUBJDDZWVLNXOZ-JTQLQIEISA-N 0 1 380.434 -1.412 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578996334 1075463236 /nfs/dbraw/zinc/46/32/36/1075463236.db2.gz MUBJDDZWVLNXOZ-SNVBAGLBSA-N 0 1 380.434 -1.412 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578996384 1075463152 /nfs/dbraw/zinc/46/31/52/1075463152.db2.gz NQNZIHUJCSATOK-SECBINFHSA-N 0 1 381.422 -1.757 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578996389 1075463169 /nfs/dbraw/zinc/46/31/69/1075463169.db2.gz NQNZIHUJCSATOK-VIFPVBQESA-N 0 1 381.422 -1.757 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578996450 1075463344 /nfs/dbraw/zinc/46/33/44/1075463344.db2.gz OCOKGRALIYOLDF-AOOOYVTPSA-N 0 1 380.434 -1.366 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001578996451 1075463226 /nfs/dbraw/zinc/46/32/26/1075463226.db2.gz OCOKGRALIYOLDF-MGCOHNPYSA-N 0 1 380.434 -1.366 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001578996556 1075463719 /nfs/dbraw/zinc/46/37/19/1075463719.db2.gz UCYZAEOVDOJTDO-YABSGUDNSA-N 0 1 392.445 -1.296 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001578996562 1075463810 /nfs/dbraw/zinc/46/38/10/1075463810.db2.gz UHGINPZBRIZVOF-UHFFFAOYSA-N 0 1 381.422 -1.969 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001578996692 1075464319 /nfs/dbraw/zinc/46/43/19/1075464319.db2.gz YBTIDWIMFUNZLK-SECBINFHSA-N 0 1 384.422 -2.536 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001578996693 1075464188 /nfs/dbraw/zinc/46/41/88/1075464188.db2.gz YBTIDWIMFUNZLK-VIFPVBQESA-N 0 1 384.422 -2.536 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001578996700 1075464314 /nfs/dbraw/zinc/46/43/14/1075464314.db2.gz YKNCSQDFECKKNL-UHFFFAOYSA-N 0 1 381.422 -1.803 20 0 GAADMN CN(C)c1ccc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001578999335 1075464229 /nfs/dbraw/zinc/46/42/29/1075464229.db2.gz XZXZLPUNXMFVCP-LLVKDONJSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001578999336 1075464241 /nfs/dbraw/zinc/46/42/41/1075464241.db2.gz XZXZLPUNXMFVCP-NSHDSACASA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ccnc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001578999590 1075464347 /nfs/dbraw/zinc/46/43/47/1075464347.db2.gz AEFQHACNPCZJFZ-JTQLQIEISA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ccnc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001578999591 1075464338 /nfs/dbraw/zinc/46/43/38/1075464338.db2.gz AEFQHACNPCZJFZ-SNVBAGLBSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ccnc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001579000137 1075464298 /nfs/dbraw/zinc/46/42/98/1075464298.db2.gz PRKTYMWAESNTFA-LLVKDONJSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ccnc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001579000138 1075464353 /nfs/dbraw/zinc/46/43/53/1075464353.db2.gz PRKTYMWAESNTFA-NSHDSACASA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ncccc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579001109 1075464845 /nfs/dbraw/zinc/46/48/45/1075464845.db2.gz JAIWSMNUDOZMEB-JTQLQIEISA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ncccc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579001110 1075464801 /nfs/dbraw/zinc/46/48/01/1075464801.db2.gz JAIWSMNUDOZMEB-SNVBAGLBSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ncccc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579001344 1075464637 /nfs/dbraw/zinc/46/46/37/1075464637.db2.gz PMHQCQTYMMNOBC-JTQLQIEISA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ncccc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579001345 1075464720 /nfs/dbraw/zinc/46/47/20/1075464720.db2.gz PMHQCQTYMMNOBC-SNVBAGLBSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1cnc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001579002164 1075465216 /nfs/dbraw/zinc/46/52/16/1075465216.db2.gz LRTPMEPDNJPBGN-SECBINFHSA-N 0 1 385.392 -1.863 20 0 GAADMN CN(C)c1cnc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001579002165 1075465170 /nfs/dbraw/zinc/46/51/70/1075465170.db2.gz LRTPMEPDNJPBGN-VIFPVBQESA-N 0 1 385.392 -1.863 20 0 GAADMN CN(C)c1cnc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001579002505 1075465150 /nfs/dbraw/zinc/46/51/50/1075465150.db2.gz QJUWWGOBDVAAAY-SECBINFHSA-N 0 1 385.392 -1.863 20 0 GAADMN CN(C)c1cnc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001579002507 1075465250 /nfs/dbraw/zinc/46/52/50/1075465250.db2.gz QJUWWGOBDVAAAY-VIFPVBQESA-N 0 1 385.392 -1.863 20 0 GAADMN CN(C)c1cnc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001579002826 1075465864 /nfs/dbraw/zinc/46/58/64/1075465864.db2.gz YXIRMOPVLYJLAY-JTQLQIEISA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1cnc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001579002827 1075465645 /nfs/dbraw/zinc/46/56/45/1075465645.db2.gz YXIRMOPVLYJLAY-SNVBAGLBSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)C(=O)C1CC1 ZINC001579003481 1075465804 /nfs/dbraw/zinc/46/58/04/1075465804.db2.gz AYZXSZUHZRPJRE-UHFFFAOYSA-N 0 1 388.432 -1.215 20 0 GAADMN CN(CC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CC1 ZINC001579003805 1075465874 /nfs/dbraw/zinc/46/58/74/1075465874.db2.gz IJVKYOJIMZPGOP-UHFFFAOYSA-N 0 1 389.420 -1.820 20 0 GAADMN C[N@@H+](CC(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1)[C@@H]1CCC[C@H]1O ZINC001579003952 1075465839 /nfs/dbraw/zinc/46/58/39/1075465839.db2.gz JBFIUTPQCMBCCY-VXGBXAGGSA-N 0 1 390.404 -1.643 20 0 GAADMN C[N@@H+](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001579005045 1075465773 /nfs/dbraw/zinc/46/57/73/1075465773.db2.gz YQRASROAFANECJ-UHFFFAOYSA-N 0 1 375.437 -1.204 20 0 GAADMN C[N@H+](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001579005045 1075465770 /nfs/dbraw/zinc/46/57/70/1075465770.db2.gz YQRASROAFANECJ-UHFFFAOYSA-N 0 1 375.437 -1.204 20 0 GAADMN C[N@@H+](CC(=O)N(CCO)CCNc1ccnc(-c2nnn[n-]2)n1)C1CCC1 ZINC001579005045 1075465767 /nfs/dbraw/zinc/46/57/67/1075465767.db2.gz YQRASROAFANECJ-UHFFFAOYSA-N 0 1 375.437 -1.204 20 0 GAADMN CN(CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001579006096 1075466708 /nfs/dbraw/zinc/46/67/08/1075466708.db2.gz NDQLTBQYYPCLDU-SECBINFHSA-N 0 1 381.422 -2.017 20 0 GAADMN CN(CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001579006097 1075466660 /nfs/dbraw/zinc/46/66/60/1075466660.db2.gz NDQLTBQYYPCLDU-VIFPVBQESA-N 0 1 381.422 -2.017 20 0 GAADMN CN(CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001579006244 1075466695 /nfs/dbraw/zinc/46/66/95/1075466695.db2.gz UCROTEXIYBBPKQ-JTQLQIEISA-N 0 1 380.434 -1.412 20 0 GAADMN CN(CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001579006245 1075467162 /nfs/dbraw/zinc/46/71/62/1075467162.db2.gz UCROTEXIYBBPKQ-SNVBAGLBSA-N 0 1 380.434 -1.412 20 0 GAADMN CN(CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)S(C)(=O)=O ZINC001579006676 1075467082 /nfs/dbraw/zinc/46/70/82/1075467082.db2.gz FYWPEHGWHFIWLI-UHFFFAOYSA-N 0 1 381.422 -1.803 20 0 GAADMN CN(CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)S(C)(=O)=O ZINC001579007733 1075467751 /nfs/dbraw/zinc/46/77/51/1075467751.db2.gz AWVOHGJXZORXNZ-SECBINFHSA-N 0 1 384.422 -2.536 20 0 GAADMN CN(CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)S(C)(=O)=O ZINC001579007734 1075467624 /nfs/dbraw/zinc/46/76/24/1075467624.db2.gz AWVOHGJXZORXNZ-VIFPVBQESA-N 0 1 384.422 -2.536 20 0 GAADMN CN(CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)S(C)(=O)=O ZINC001579007766 1075467556 /nfs/dbraw/zinc/46/75/56/1075467556.db2.gz BXJBSHJDHJVQBM-SECBINFHSA-N 0 1 384.422 -2.536 20 0 GAADMN CN(CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)S(C)(=O)=O ZINC001579007767 1075467595 /nfs/dbraw/zinc/46/75/95/1075467595.db2.gz BXJBSHJDHJVQBM-VIFPVBQESA-N 0 1 384.422 -2.536 20 0 GAADMN CN(CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)S(C)(=O)=O ZINC001579008056 1075468172 /nfs/dbraw/zinc/46/81/72/1075468172.db2.gz KLIGLGMPQAXQNX-UHFFFAOYSA-N 0 1 381.422 -1.969 20 0 GAADMN C[N@@H+](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001579008115 1075468566 /nfs/dbraw/zinc/46/85/66/1075468566.db2.gz MAYDTBKWXPBGPN-LLVKDONJSA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@H+](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001579008115 1075468564 /nfs/dbraw/zinc/46/85/64/1075468564.db2.gz MAYDTBKWXPBGPN-LLVKDONJSA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@@H+](CC(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001579008115 1075468560 /nfs/dbraw/zinc/46/85/60/1075468560.db2.gz MAYDTBKWXPBGPN-LLVKDONJSA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@@H+](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001579008116 1075468621 /nfs/dbraw/zinc/46/86/21/1075468621.db2.gz MAYDTBKWXPBGPN-NSHDSACASA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@H+](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001579008116 1075468617 /nfs/dbraw/zinc/46/86/17/1075468617.db2.gz MAYDTBKWXPBGPN-NSHDSACASA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@@H+](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001579008116 1075468613 /nfs/dbraw/zinc/46/86/13/1075468613.db2.gz MAYDTBKWXPBGPN-NSHDSACASA-N 0 1 377.453 -1.055 20 0 GAADMN CN(CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CC1 ZINC001579008282 1075469216 /nfs/dbraw/zinc/46/92/16/1075469216.db2.gz QPEMBJNQNPXSFP-JTQLQIEISA-N 0 1 375.393 -2.164 20 0 GAADMN CN(CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CC1 ZINC001579008283 1075469148 /nfs/dbraw/zinc/46/91/48/1075469148.db2.gz QPEMBJNQNPXSFP-SNVBAGLBSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001579008343 1075469132 /nfs/dbraw/zinc/46/91/32/1075469132.db2.gz SGLINSXJPPHGFO-MRVPVSSYSA-N 0 1 383.394 -2.780 20 0 GAADMN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001579008344 1075469117 /nfs/dbraw/zinc/46/91/17/1075469117.db2.gz SGLINSXJPPHGFO-QMMMGPOBSA-N 0 1 383.394 -2.780 20 0 GAADMN C[N@@H+](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001579008401 1075469785 /nfs/dbraw/zinc/46/97/85/1075469785.db2.gz UWSIFGPOLLVKMZ-LLVKDONJSA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@H+](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001579008401 1075469782 /nfs/dbraw/zinc/46/97/82/1075469782.db2.gz UWSIFGPOLLVKMZ-LLVKDONJSA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@@H+](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001579008401 1075469780 /nfs/dbraw/zinc/46/97/80/1075469780.db2.gz UWSIFGPOLLVKMZ-LLVKDONJSA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@@H+](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001579008402 1075469627 /nfs/dbraw/zinc/46/96/27/1075469627.db2.gz UWSIFGPOLLVKMZ-NSHDSACASA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@H+](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001579008402 1075469623 /nfs/dbraw/zinc/46/96/23/1075469623.db2.gz UWSIFGPOLLVKMZ-NSHDSACASA-N 0 1 377.453 -1.055 20 0 GAADMN C[N@@H+](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001579008402 1075469616 /nfs/dbraw/zinc/46/96/16/1075469616.db2.gz UWSIFGPOLLVKMZ-NSHDSACASA-N 0 1 377.453 -1.055 20 0 GAADMN CN(CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CC1 ZINC001579008479 1075469773 /nfs/dbraw/zinc/46/97/73/1075469773.db2.gz WXNGGOUFOJSVRG-JTQLQIEISA-N 0 1 375.393 -2.164 20 0 GAADMN CN(CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CC1 ZINC001579008480 1075469759 /nfs/dbraw/zinc/46/97/59/1075469759.db2.gz WXNGGOUFOJSVRG-SNVBAGLBSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C(=O)C1CC1 ZINC001579009736 1075470138 /nfs/dbraw/zinc/47/01/38/1075470138.db2.gz PNHBKPLLQXVBFF-GHMZBOCLSA-N 0 1 387.404 -1.809 20 0 GAADMN CN(CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C(=O)C1CC1 ZINC001579009738 1075470074 /nfs/dbraw/zinc/47/00/74/1075470074.db2.gz PNHBKPLLQXVBFF-MNOVXSKESA-N 0 1 387.404 -1.809 20 0 GAADMN CN(CC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001579009849 1075470239 /nfs/dbraw/zinc/47/02/39/1075470239.db2.gz VDZSPOGESRCYCO-AOOOYVTPSA-N 0 1 380.434 -1.366 20 0 GAADMN CN(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001579009877 1075470189 /nfs/dbraw/zinc/47/01/89/1075470189.db2.gz XRCSDWLUQMCYKH-SECBINFHSA-N 0 1 381.422 -1.757 20 0 GAADMN CN(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001579009878 1075470172 /nfs/dbraw/zinc/47/01/72/1075470172.db2.gz XRCSDWLUQMCYKH-VIFPVBQESA-N 0 1 381.422 -1.757 20 0 GAADMN CN(CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)S(C)(=O)=O ZINC001579010615 1075470581 /nfs/dbraw/zinc/47/05/81/1075470581.db2.gz JEAXIOSXFCBQMY-KYZUINATSA-N 0 1 381.422 -1.971 20 0 GAADMN CN(CC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001579011150 1075470533 /nfs/dbraw/zinc/47/05/33/1075470533.db2.gz VDZSPOGESRCYCO-MGCOHNPYSA-N 0 1 380.434 -1.366 20 0 GAADMN CN(CC(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001579015232 1075470590 /nfs/dbraw/zinc/47/05/90/1075470590.db2.gz PSIMVHOWMXJJTB-ARJAWSKDSA-N 0 1 381.422 -1.946 20 0 GAADMN CN(CC(=O)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1)S(C)(=O)=O ZINC001579015233 1075471011 /nfs/dbraw/zinc/47/10/11/1075471011.db2.gz PSIMVHOWMXJJTB-ONEGZZNKSA-N 0 1 381.422 -1.946 20 0 GAADMN C[N@@H+](CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@@H]1CCC[C@H]1O ZINC001579015838 1075470970 /nfs/dbraw/zinc/47/09/70/1075470970.db2.gz ULCRUXAWXJYMRD-GHMZBOCLSA-N 0 1 378.393 -1.910 20 0 GAADMN C[N@@H+](CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@@H]1CCSC1 ZINC001579016925 1075471021 /nfs/dbraw/zinc/47/10/21/1075471021.db2.gz XPIFAIMYNSOEPO-SECBINFHSA-N 0 1 380.434 -1.318 20 0 GAADMN C[N@@H+](CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@H]1CCSC1 ZINC001579016926 1075471065 /nfs/dbraw/zinc/47/10/65/1075471065.db2.gz XPIFAIMYNSOEPO-VIFPVBQESA-N 0 1 380.434 -1.318 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@H]1CCN(C)C1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579023107 1075472237 /nfs/dbraw/zinc/47/22/37/1075472237.db2.gz BBHIFKBRDDISFN-GWCFXTLKSA-N 0 1 376.421 -1.210 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@@H]1CCN(C)C1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579023108 1075472126 /nfs/dbraw/zinc/47/21/26/1075472126.db2.gz BBHIFKBRDDISFN-GXFFZTMASA-N 0 1 376.421 -1.210 20 0 GAADMN CN(C[C@H](O)CN(C)[C@H]1CCN(C)C1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579023109 1075472134 /nfs/dbraw/zinc/47/21/34/1075472134.db2.gz BBHIFKBRDDISFN-MFKMUULPSA-N 0 1 376.421 -1.210 20 0 GAADMN CN(C[C@H](O)CN(C)[C@@H]1CCN(C)C1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579023110 1075472011 /nfs/dbraw/zinc/47/20/11/1075472011.db2.gz BBHIFKBRDDISFN-ZWNOBZJWSA-N 0 1 376.421 -1.210 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@H]1CCCNC1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579023485 1075473150 /nfs/dbraw/zinc/47/31/50/1075473150.db2.gz JOHKMRVWACSRAQ-AAEUAGOBSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CN(C)[C@@H]1CCCNC1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579023486 1075473056 /nfs/dbraw/zinc/47/30/56/1075473056.db2.gz JOHKMRVWACSRAQ-DGCLKSJQSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@@H]1CCCNC1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579023487 1075473247 /nfs/dbraw/zinc/47/32/47/1075473247.db2.gz JOHKMRVWACSRAQ-WCQYABFASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CN(C)[C@H]1CCCNC1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579023488 1075473208 /nfs/dbraw/zinc/47/32/08/1075473208.db2.gz JOHKMRVWACSRAQ-YPMHNXCESA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@H]1CCCNC1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579023849 1075473802 /nfs/dbraw/zinc/47/38/02/1075473802.db2.gz SNQLPVFMLBFZMK-GWCFXTLKSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@@H]1CCCNC1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579023850 1075473688 /nfs/dbraw/zinc/47/36/88/1075473688.db2.gz SNQLPVFMLBFZMK-GXFFZTMASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CN(C)[C@H]1CCCNC1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579023851 1075473745 /nfs/dbraw/zinc/47/37/45/1075473745.db2.gz SNQLPVFMLBFZMK-MFKMUULPSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CN(C)[C@@H]1CCCNC1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579023852 1075473714 /nfs/dbraw/zinc/47/37/14/1075473714.db2.gz SNQLPVFMLBFZMK-ZWNOBZJWSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@H]1CCN(C)C1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579024009 1075473577 /nfs/dbraw/zinc/47/35/77/1075473577.db2.gz WBFCFEJVLGPOLD-AAEUAGOBSA-N 0 1 376.421 -1.210 20 0 GAADMN CN(C[C@H](O)CN(C)[C@@H]1CCN(C)C1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579024010 1075473529 /nfs/dbraw/zinc/47/35/29/1075473529.db2.gz WBFCFEJVLGPOLD-DGCLKSJQSA-N 0 1 376.421 -1.210 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@@H]1CCN(C)C1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579024011 1075473759 /nfs/dbraw/zinc/47/37/59/1075473759.db2.gz WBFCFEJVLGPOLD-WCQYABFASA-N 0 1 376.421 -1.210 20 0 GAADMN CN(C[C@H](O)CN(C)[C@H]1CCN(C)C1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579024012 1075473646 /nfs/dbraw/zinc/47/36/46/1075473646.db2.gz WBFCFEJVLGPOLD-YPMHNXCESA-N 0 1 376.421 -1.210 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@H]1CCCNC1=O)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579024193 1075474159 /nfs/dbraw/zinc/47/41/59/1075474159.db2.gz ZNFAGGYAYHRGJL-AAEUAGOBSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CN(C)[C@@H]1CCCNC1=O)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579024194 1075474134 /nfs/dbraw/zinc/47/41/34/1075474134.db2.gz ZNFAGGYAYHRGJL-DGCLKSJQSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CN(C)[C@@H]1CCCNC1=O)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579024195 1075474072 /nfs/dbraw/zinc/47/40/72/1075474072.db2.gz ZNFAGGYAYHRGJL-WCQYABFASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CN(C)[C@H]1CCCNC1=O)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579024196 1075474018 /nfs/dbraw/zinc/47/40/18/1075474018.db2.gz ZNFAGGYAYHRGJL-YPMHNXCESA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CS(C)(=O)=O ZINC001579024293 1075474745 /nfs/dbraw/zinc/47/47/45/1075474745.db2.gz BOTYMSOGAMZTPL-SECBINFHSA-N 0 1 384.422 -2.043 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CS(C)(=O)=O ZINC001579024294 1075474670 /nfs/dbraw/zinc/47/46/70/1075474670.db2.gz BOTYMSOGAMZTPL-VIFPVBQESA-N 0 1 384.422 -2.043 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1cncn1C ZINC001579024405 1075475135 /nfs/dbraw/zinc/47/51/35/1075475135.db2.gz DYBVIDMSTUFGLX-GFCCVEGCSA-N 0 1 386.420 -1.112 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1cncn1C ZINC001579024406 1075475286 /nfs/dbraw/zinc/47/52/86/1075475286.db2.gz DYBVIDMSTUFGLX-LBPRGKRZSA-N 0 1 386.420 -1.112 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCC(=O)N1 ZINC001579024409 1075475215 /nfs/dbraw/zinc/47/52/15/1075475215.db2.gz FBACNFWLQRHFIX-UWVGGRQHSA-N 0 1 375.393 -1.809 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCC(=O)N1 ZINC001579024410 1075475086 /nfs/dbraw/zinc/47/50/86/1075475086.db2.gz FBACNFWLQRHFIX-ZJUUUORDSA-N 0 1 375.393 -1.809 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCNC1=O ZINC001579024429 1075475343 /nfs/dbraw/zinc/47/53/43/1075475343.db2.gz FTPIWTBTUKFMDM-GHMZBOCLSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCNC1=O ZINC001579024430 1075475352 /nfs/dbraw/zinc/47/53/52/1075475352.db2.gz FTPIWTBTUKFMDM-MNOVXSKESA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCNC1=O ZINC001579024431 1075475269 /nfs/dbraw/zinc/47/52/69/1075475269.db2.gz FTPIWTBTUKFMDM-QWRGUYRKSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCNC1=O ZINC001579024432 1075475151 /nfs/dbraw/zinc/47/51/51/1075475151.db2.gz FTPIWTBTUKFMDM-WDEREUQCSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1cnn(C)c1 ZINC001579024449 1075475328 /nfs/dbraw/zinc/47/53/28/1075475328.db2.gz GFXCIJTXEDAJOV-GFCCVEGCSA-N 0 1 386.420 -1.112 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1cnn(C)c1 ZINC001579024450 1075475312 /nfs/dbraw/zinc/47/53/12/1075475312.db2.gz GFXCIJTXEDAJOV-LBPRGKRZSA-N 0 1 386.420 -1.112 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CO[C@H]1CCOC1 ZINC001579024511 1075475077 /nfs/dbraw/zinc/47/50/77/1075475077.db2.gz HHNSUHYXPYYJTE-NEPJUHHUSA-N 0 1 392.420 -1.282 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CO[C@@H]1CCOC1 ZINC001579024512 1075475176 /nfs/dbraw/zinc/47/51/76/1075475176.db2.gz HHNSUHYXPYYJTE-NWDGAFQWSA-N 0 1 392.420 -1.282 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CO[C@H]1CCOC1 ZINC001579024513 1075475255 /nfs/dbraw/zinc/47/52/55/1075475255.db2.gz HHNSUHYXPYYJTE-RYUDHWBXSA-N 0 1 392.420 -1.282 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CO[C@@H]1CCOC1 ZINC001579024514 1075475234 /nfs/dbraw/zinc/47/52/34/1075475234.db2.gz HHNSUHYXPYYJTE-VXGBXAGGSA-N 0 1 392.420 -1.282 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1COC(=O)C1 ZINC001579024585 1075475785 /nfs/dbraw/zinc/47/57/85/1075475785.db2.gz ITPOUVVMVNUMPJ-GHMZBOCLSA-N 0 1 390.404 -1.135 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1COC(=O)C1 ZINC001579024586 1075475708 /nfs/dbraw/zinc/47/57/08/1075475708.db2.gz ITPOUVVMVNUMPJ-MNOVXSKESA-N 0 1 390.404 -1.135 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1COC(=O)C1 ZINC001579024587 1075475622 /nfs/dbraw/zinc/47/56/22/1075475622.db2.gz ITPOUVVMVNUMPJ-QWRGUYRKSA-N 0 1 390.404 -1.135 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1COC(=O)C1 ZINC001579024588 1075475582 /nfs/dbraw/zinc/47/55/82/1075475582.db2.gz ITPOUVVMVNUMPJ-WDEREUQCSA-N 0 1 390.404 -1.135 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001579024651 1075475557 /nfs/dbraw/zinc/47/55/57/1075475557.db2.gz KLIIZWJNBQZWDQ-GHMZBOCLSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001579024652 1075475820 /nfs/dbraw/zinc/47/58/20/1075475820.db2.gz KLIIZWJNBQZWDQ-MNOVXSKESA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCNC(=O)C1 ZINC001579024653 1075475677 /nfs/dbraw/zinc/47/56/77/1075475677.db2.gz KLIIZWJNBQZWDQ-QWRGUYRKSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCNC(=O)C1 ZINC001579024654 1075475643 /nfs/dbraw/zinc/47/56/43/1075475643.db2.gz KLIIZWJNBQZWDQ-WDEREUQCSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1ccn(C)n1 ZINC001579024655 1075475538 /nfs/dbraw/zinc/47/55/38/1075475538.db2.gz KMHMMVAPVSYOFO-GFCCVEGCSA-N 0 1 386.420 -1.112 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1ccn(C)n1 ZINC001579024656 1075475606 /nfs/dbraw/zinc/47/56/06/1075475606.db2.gz KMHMMVAPVSYOFO-LBPRGKRZSA-N 0 1 386.420 -1.112 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1COC(=O)N1 ZINC001579024735 1075476178 /nfs/dbraw/zinc/47/61/78/1075476178.db2.gz LYAGHRIBOJFRCP-BDAKNGLRSA-N 0 1 377.365 -1.979 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1COC(=O)N1 ZINC001579024736 1075476193 /nfs/dbraw/zinc/47/61/93/1075476193.db2.gz LYAGHRIBOJFRCP-DTWKUNHWSA-N 0 1 377.365 -1.979 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1COC(=O)N1 ZINC001579024737 1075476289 /nfs/dbraw/zinc/47/62/89/1075476289.db2.gz LYAGHRIBOJFRCP-IUCAKERBSA-N 0 1 377.365 -1.979 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1COC(=O)N1 ZINC001579024738 1075476301 /nfs/dbraw/zinc/47/63/01/1075476301.db2.gz LYAGHRIBOJFRCP-RKDXNWHRSA-N 0 1 377.365 -1.979 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1COCCO1 ZINC001579024747 1075476141 /nfs/dbraw/zinc/47/61/41/1075476141.db2.gz MATKOMVLUFVWIA-GHMZBOCLSA-N 0 1 378.393 -1.672 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1COCCO1 ZINC001579024748 1075476230 /nfs/dbraw/zinc/47/62/30/1075476230.db2.gz MATKOMVLUFVWIA-MNOVXSKESA-N 0 1 378.393 -1.672 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1COCCO1 ZINC001579024749 1075476096 /nfs/dbraw/zinc/47/60/96/1075476096.db2.gz MATKOMVLUFVWIA-QWRGUYRKSA-N 0 1 378.393 -1.672 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1COCCO1 ZINC001579024750 1075476107 /nfs/dbraw/zinc/47/61/07/1075476107.db2.gz MATKOMVLUFVWIA-WDEREUQCSA-N 0 1 378.393 -1.672 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCOCC1 ZINC001579024903 1075476959 /nfs/dbraw/zinc/47/69/59/1075476959.db2.gz PPLBGYOQXHFPLM-GFCCVEGCSA-N 0 1 391.436 -1.756 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCOCC1 ZINC001579024904 1075476791 /nfs/dbraw/zinc/47/67/91/1075476791.db2.gz PPLBGYOQXHFPLM-LBPRGKRZSA-N 0 1 391.436 -1.756 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCC1=O ZINC001579024925 1075476864 /nfs/dbraw/zinc/47/68/64/1075476864.db2.gz QBDNOYYXLHUGON-LLVKDONJSA-N 0 1 389.420 -1.465 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCC1=O ZINC001579024926 1075476886 /nfs/dbraw/zinc/47/68/86/1075476886.db2.gz QBDNOYYXLHUGON-NSHDSACASA-N 0 1 389.420 -1.465 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CCCC(N)=O ZINC001579025027 1075477378 /nfs/dbraw/zinc/47/73/78/1075477378.db2.gz SLRUCMJPDCOMCH-JTQLQIEISA-N 0 1 377.409 -1.432 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CCCC(N)=O ZINC001579025028 1075477253 /nfs/dbraw/zinc/47/72/53/1075477253.db2.gz SLRUCMJPDCOMCH-SNVBAGLBSA-N 0 1 377.409 -1.432 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CCn1cncn1 ZINC001579025033 1075477388 /nfs/dbraw/zinc/47/73/88/1075477388.db2.gz SNRJPKINXHNZAR-LLVKDONJSA-N 0 1 387.408 -1.406 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CCn1cncn1 ZINC001579025034 1075477301 /nfs/dbraw/zinc/47/73/01/1075477301.db2.gz SNRJPKINXHNZAR-NSHDSACASA-N 0 1 387.408 -1.406 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCC(=O)N1C ZINC001579025149 1075477266 /nfs/dbraw/zinc/47/72/66/1075477266.db2.gz VLBNPPDUFKZGQD-MNOVXSKESA-N 0 1 389.420 -1.467 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCC(=O)N1C ZINC001579025150 1075477436 /nfs/dbraw/zinc/47/74/36/1075477436.db2.gz VLBNPPDUFKZGQD-QWRGUYRKSA-N 0 1 389.420 -1.467 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCCNC1=O ZINC001579025201 1075477354 /nfs/dbraw/zinc/47/73/54/1075477354.db2.gz XBSSDCWGXAYBBG-GHMZBOCLSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCCNC1=O ZINC001579025202 1075477275 /nfs/dbraw/zinc/47/72/75/1075477275.db2.gz XBSSDCWGXAYBBG-MNOVXSKESA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCCNC1=O ZINC001579025203 1075477771 /nfs/dbraw/zinc/47/77/71/1075477771.db2.gz XBSSDCWGXAYBBG-QWRGUYRKSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCCNC1=O ZINC001579025204 1075477881 /nfs/dbraw/zinc/47/78/81/1075477881.db2.gz XBSSDCWGXAYBBG-WDEREUQCSA-N 0 1 389.420 -1.562 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCC(=O)N1 ZINC001579025241 1075477898 /nfs/dbraw/zinc/47/78/98/1075477898.db2.gz XOAZSRQTWDEPQF-GHMZBOCLSA-N 0 1 389.420 -1.419 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCC(=O)N1 ZINC001579025243 1075477761 /nfs/dbraw/zinc/47/77/61/1075477761.db2.gz XOAZSRQTWDEPQF-MNOVXSKESA-N 0 1 389.420 -1.419 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001579025245 1075477793 /nfs/dbraw/zinc/47/77/93/1075477793.db2.gz XOAZSRQTWDEPQF-QWRGUYRKSA-N 0 1 389.420 -1.419 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001579025246 1075477970 /nfs/dbraw/zinc/47/79/70/1075477970.db2.gz XOAZSRQTWDEPQF-WDEREUQCSA-N 0 1 389.420 -1.419 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579025356 1075477946 /nfs/dbraw/zinc/47/79/46/1075477946.db2.gz YMPIWTGFNVVMIF-BDAKNGLRSA-N 0 1 376.381 -2.406 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579025358 1075477866 /nfs/dbraw/zinc/47/78/66/1075477866.db2.gz YMPIWTGFNVVMIF-DTWKUNHWSA-N 0 1 376.381 -2.406 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579025359 1075478007 /nfs/dbraw/zinc/47/80/07/1075478007.db2.gz YMPIWTGFNVVMIF-IUCAKERBSA-N 0 1 376.381 -2.406 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579025361 1075477810 /nfs/dbraw/zinc/47/78/10/1075477810.db2.gz YMPIWTGFNVVMIF-RKDXNWHRSA-N 0 1 376.381 -2.406 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(=O)n1C ZINC001579027403 1075478610 /nfs/dbraw/zinc/47/86/10/1075478610.db2.gz FXNMEHQGJLEMAO-SECBINFHSA-N 0 1 388.392 -1.335 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(=O)n1C ZINC001579027404 1075478567 /nfs/dbraw/zinc/47/85/67/1075478567.db2.gz FXNMEHQGJLEMAO-VIFPVBQESA-N 0 1 388.392 -1.335 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)CS(C)(=O)=O ZINC001579027449 1075478578 /nfs/dbraw/zinc/47/85/78/1075478578.db2.gz GQASTLMORWPBKW-JTQLQIEISA-N 0 1 383.434 -1.438 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)CS(C)(=O)=O ZINC001579027450 1075478474 /nfs/dbraw/zinc/47/84/74/1075478474.db2.gz GQASTLMORWPBKW-SNVBAGLBSA-N 0 1 383.434 -1.438 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001579027461 1075478502 /nfs/dbraw/zinc/47/85/02/1075478502.db2.gz GUZCZVDVDBZEIY-AEJSXWLSSA-N 0 1 375.393 -1.966 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001579027462 1075478512 /nfs/dbraw/zinc/47/85/12/1075478512.db2.gz GUZCZVDVDBZEIY-BBBLOLIVSA-N 0 1 375.393 -1.966 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnn(C)c1N ZINC001579027653 1075479106 /nfs/dbraw/zinc/47/91/06/1075479106.db2.gz IJFLOXLUFKNAKQ-SECBINFHSA-N 0 1 387.408 -1.458 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnn(C)c1N ZINC001579027656 1075479084 /nfs/dbraw/zinc/47/90/84/1075479084.db2.gz IJFLOXLUFKNAKQ-VIFPVBQESA-N 0 1 387.408 -1.458 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn[nH]c(=O)c1 ZINC001579027889 1075479150 /nfs/dbraw/zinc/47/91/50/1075479150.db2.gz KCXULAYASOOFNG-JTQLQIEISA-N 0 1 386.376 -1.278 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn[nH]c(=O)c1 ZINC001579027892 1075478967 /nfs/dbraw/zinc/47/89/67/1075478967.db2.gz KCXULAYASOOFNG-SNVBAGLBSA-N 0 1 386.376 -1.278 20 0 GAADMN CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)CCc1c[nH]nn1 ZINC001579027905 1075479037 /nfs/dbraw/zinc/47/90/37/1075479037.db2.gz KEWBDKLCIMPCJG-LLVKDONJSA-N 0 1 387.408 -1.337 20 0 GAADMN CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)CCc1c[nH]nn1 ZINC001579027912 1075479124 /nfs/dbraw/zinc/47/91/24/1075479124.db2.gz KEWBDKLCIMPCJG-NSHDSACASA-N 0 1 387.408 -1.337 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(=O)cn1 ZINC001579028066 1075479052 /nfs/dbraw/zinc/47/90/52/1075479052.db2.gz LSFSKCKMOLJYTK-SECBINFHSA-N 0 1 386.376 -1.691 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(=O)cn1 ZINC001579028069 1075478906 /nfs/dbraw/zinc/47/89/06/1075478906.db2.gz LSFSKCKMOLJYTK-VIFPVBQESA-N 0 1 386.376 -1.691 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnc[nH]c1=O ZINC001579028446 1075479513 /nfs/dbraw/zinc/47/95/13/1075479513.db2.gz NXWRPYXBDYGHAC-SECBINFHSA-N 0 1 386.376 -1.278 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnc[nH]c1=O ZINC001579028447 1075479674 /nfs/dbraw/zinc/47/96/74/1075479674.db2.gz NXWRPYXBDYGHAC-VIFPVBQESA-N 0 1 386.376 -1.278 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579029107 1075480080 /nfs/dbraw/zinc/48/00/80/1075480080.db2.gz RSOBPAYMMVASLJ-GXSJLCMTSA-N 0 1 375.393 -1.801 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579029109 1075480102 /nfs/dbraw/zinc/48/01/02/1075480102.db2.gz RSOBPAYMMVASLJ-KOLCDFICSA-N 0 1 375.393 -1.801 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579029110 1075480052 /nfs/dbraw/zinc/48/00/52/1075480052.db2.gz RSOBPAYMMVASLJ-MWLCHTKSSA-N 0 1 375.393 -1.801 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579029111 1075480612 /nfs/dbraw/zinc/48/06/12/1075480612.db2.gz RSOBPAYMMVASLJ-ONGXEEELSA-N 0 1 375.393 -1.801 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(=O)[nH]n1 ZINC001579029376 1075481234 /nfs/dbraw/zinc/48/12/34/1075481234.db2.gz TUMYETJTNIKHPG-SECBINFHSA-N 0 1 386.376 -1.278 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(=O)[nH]n1 ZINC001579029377 1075481317 /nfs/dbraw/zinc/48/13/17/1075481317.db2.gz TUMYETJTNIKHPG-VIFPVBQESA-N 0 1 386.376 -1.278 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)CN1CCOCC1 ZINC001579029402 1075481151 /nfs/dbraw/zinc/48/11/51/1075481151.db2.gz UIWVYPRYDONJON-CYBMUJFWSA-N 0 1 390.448 -1.151 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)CN1CCOCC1 ZINC001579029403 1075481196 /nfs/dbraw/zinc/48/11/96/1075481196.db2.gz UIWVYPRYDONJON-ZDUSSCGKSA-N 0 1 390.448 -1.151 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCC(=O)N1C ZINC001579029444 1075481172 /nfs/dbraw/zinc/48/11/72/1075481172.db2.gz VLBNPPDUFKZGQD-GHMZBOCLSA-N 0 1 389.420 -1.467 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCC(=O)N1C ZINC001579029445 1075481360 /nfs/dbraw/zinc/48/13/60/1075481360.db2.gz VLBNPPDUFKZGQD-WDEREUQCSA-N 0 1 389.420 -1.467 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001579029469 1075481157 /nfs/dbraw/zinc/48/11/57/1075481157.db2.gz VOXQGMQMRNISQL-SECBINFHSA-N 0 1 388.392 -1.335 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001579029471 1075481222 /nfs/dbraw/zinc/48/12/22/1075481222.db2.gz VOXQGMQMRNISQL-VIFPVBQESA-N 0 1 388.392 -1.335 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)c1c[nH]c(=O)cn1 ZINC001579029838 1075481804 /nfs/dbraw/zinc/48/18/04/1075481804.db2.gz XORUJQWRURUUJT-JTQLQIEISA-N 0 1 385.388 -1.086 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)c1c[nH]c(=O)cn1 ZINC001579029839 1075482344 /nfs/dbraw/zinc/48/23/44/1075482344.db2.gz XORUJQWRURUUJT-SNVBAGLBSA-N 0 1 385.388 -1.086 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H]1COCCO1 ZINC001579029856 1075482336 /nfs/dbraw/zinc/48/23/36/1075482336.db2.gz XXCUZAVVVYUGMS-BXUZGUMPSA-N 0 1 377.405 -1.067 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1COCCO1 ZINC001579029857 1075482405 /nfs/dbraw/zinc/48/24/05/1075482405.db2.gz XXCUZAVVVYUGMS-FZMZJTMJSA-N 0 1 377.405 -1.067 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1COCCO1 ZINC001579029858 1075482353 /nfs/dbraw/zinc/48/23/53/1075482353.db2.gz XXCUZAVVVYUGMS-RISCZKNCSA-N 0 1 377.405 -1.067 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H]1COCCO1 ZINC001579029859 1075482306 /nfs/dbraw/zinc/48/23/06/1075482306.db2.gz XXCUZAVVVYUGMS-SMDDNHRTSA-N 0 1 377.405 -1.067 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)CCn1cnnn1 ZINC001579029872 1075482284 /nfs/dbraw/zinc/48/22/84/1075482284.db2.gz YILJZMAONFGSRJ-LLVKDONJSA-N 0 1 387.408 -1.406 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(=O)CCn1cnnn1 ZINC001579029873 1075482275 /nfs/dbraw/zinc/48/22/75/1075482275.db2.gz YILJZMAONFGSRJ-NSHDSACASA-N 0 1 387.408 -1.406 20 0 GAADMN CN(C[C@@H](O)CNC(=O)[C@@H]1CCCN1C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579031006 1075484757 /nfs/dbraw/zinc/48/47/57/1075484757.db2.gz HVUFUOZWFISIHD-AAEUAGOBSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)[C@H]1CCCN1C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579031007 1075485022 /nfs/dbraw/zinc/48/50/22/1075485022.db2.gz HVUFUOZWFISIHD-DGCLKSJQSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CNC(=O)[C@H]1CCCN1C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579031008 1075484987 /nfs/dbraw/zinc/48/49/87/1075484987.db2.gz HVUFUOZWFISIHD-WCQYABFASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)[C@@H]1CCCN1C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579031009 1075484854 /nfs/dbraw/zinc/48/48/54/1075484854.db2.gz HVUFUOZWFISIHD-YPMHNXCESA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CNC(=O)[C@@H]1CCCN1C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579031040 1075485444 /nfs/dbraw/zinc/48/54/44/1075485444.db2.gz IMMYDZVBDNKYNV-AAEUAGOBSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)[C@H]1CCCN1C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579031041 1075485287 /nfs/dbraw/zinc/48/52/87/1075485287.db2.gz IMMYDZVBDNKYNV-DGCLKSJQSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CNC(=O)[C@H]1CCCN1C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579031042 1075485526 /nfs/dbraw/zinc/48/55/26/1075485526.db2.gz IMMYDZVBDNKYNV-WCQYABFASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)[C@@H]1CCCN1C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579031043 1075485587 /nfs/dbraw/zinc/48/55/87/1075485587.db2.gz IMMYDZVBDNKYNV-YPMHNXCESA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)CN1CCCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579033824 1075488918 /nfs/dbraw/zinc/48/89/18/1075488918.db2.gz DJZAPJHNRBAXAF-LLVKDONJSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579033826 1075488866 /nfs/dbraw/zinc/48/88/66/1075488866.db2.gz DJZAPJHNRBAXAF-NSHDSACASA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCN1C ZINC001579034035 1075489264 /nfs/dbraw/zinc/48/92/64/1075489264.db2.gz GBEYYVSPOIVOQX-AAEUAGOBSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)[C@H]1CCCN1C ZINC001579034036 1075489354 /nfs/dbraw/zinc/48/93/54/1075489354.db2.gz GBEYYVSPOIVOQX-DGCLKSJQSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)[C@H]1CCCN1C ZINC001579034037 1075489286 /nfs/dbraw/zinc/48/92/86/1075489286.db2.gz GBEYYVSPOIVOQX-WCQYABFASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCN1C ZINC001579034038 1075489210 /nfs/dbraw/zinc/48/92/10/1075489210.db2.gz GBEYYVSPOIVOQX-YPMHNXCESA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)CN1CCCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579034358 1075489777 /nfs/dbraw/zinc/48/97/77/1075489777.db2.gz IUTSPLGSFOYTKO-GFCCVEGCSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579034360 1075489797 /nfs/dbraw/zinc/48/97/97/1075489797.db2.gz IUTSPLGSFOYTKO-LBPRGKRZSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)CN1CCCC1 ZINC001579034911 1075490552 /nfs/dbraw/zinc/49/05/52/1075490552.db2.gz MEGAYGPYEIYDKP-GFCCVEGCSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)CN1CCCC1 ZINC001579034912 1075490493 /nfs/dbraw/zinc/49/04/93/1075490493.db2.gz MEGAYGPYEIYDKP-LBPRGKRZSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)CN1CCCC1 ZINC001579034943 1075490561 /nfs/dbraw/zinc/49/05/61/1075490561.db2.gz MWQQUGHMLQBSFT-GFCCVEGCSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)CN1CCCC1 ZINC001579034944 1075490581 /nfs/dbraw/zinc/49/05/81/1075490581.db2.gz MWQQUGHMLQBSFT-LBPRGKRZSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)CN1CCCC1 ZINC001579035143 1075490872 /nfs/dbraw/zinc/49/08/72/1075490872.db2.gz CRNJCYQSLCYTAS-LLVKDONJSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)CN1CCCC1 ZINC001579035145 1075490911 /nfs/dbraw/zinc/49/09/11/1075490911.db2.gz CRNJCYQSLCYTAS-NSHDSACASA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)[C@H]1CCCN1C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579035311 1075490886 /nfs/dbraw/zinc/49/08/86/1075490886.db2.gz OSPPFOKAJDKSIR-GXFFZTMASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)[C@H]1CCCN1C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579035312 1075490896 /nfs/dbraw/zinc/49/08/96/1075490896.db2.gz OSPPFOKAJDKSIR-ZWNOBZJWSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)CN1CCCC1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579035369 1075491258 /nfs/dbraw/zinc/49/12/58/1075491258.db2.gz QEFBONYIZNOXOW-GFCCVEGCSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579035370 1075491307 /nfs/dbraw/zinc/49/13/07/1075491307.db2.gz QEFBONYIZNOXOW-LBPRGKRZSA-N 0 1 376.421 -1.160 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@@H]1CCCN1C ZINC001579036068 1075492905 /nfs/dbraw/zinc/49/29/05/1075492905.db2.gz TWDXJUBJULYYIP-AAEUAGOBSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@H]1CCCN1C ZINC001579036070 1075492913 /nfs/dbraw/zinc/49/29/13/1075492913.db2.gz TWDXJUBJULYYIP-DGCLKSJQSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@H]1CCCN1C ZINC001579036073 1075492803 /nfs/dbraw/zinc/49/28/03/1075492803.db2.gz TWDXJUBJULYYIP-WCQYABFASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@@H]1CCCN1C ZINC001579036075 1075492823 /nfs/dbraw/zinc/49/28/23/1075492823.db2.gz TWDXJUBJULYYIP-YPMHNXCESA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)[C@@H]1CCCN1C ZINC001579037050 1075494943 /nfs/dbraw/zinc/49/49/43/1075494943.db2.gz UMIVRUKECBPYJO-GWCFXTLKSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)[C@H]1CCCN1C ZINC001579037051 1075494847 /nfs/dbraw/zinc/49/48/47/1075494847.db2.gz UMIVRUKECBPYJO-GXFFZTMASA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)[C@@H]1CCCN1C ZINC001579037052 1075494834 /nfs/dbraw/zinc/49/48/34/1075494834.db2.gz UMIVRUKECBPYJO-MFKMUULPSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)[C@H]1CCCN1C ZINC001579037053 1075494818 /nfs/dbraw/zinc/49/48/18/1075494818.db2.gz UMIVRUKECBPYJO-ZWNOBZJWSA-N 0 1 376.421 -1.162 20 0 GAADMN CN(C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1nnn(C)n1 ZINC001579042613 1075497199 /nfs/dbraw/zinc/49/71/99/1075497199.db2.gz BMTYVHJENDXNGH-LLVKDONJSA-N 0 1 390.383 -1.248 20 0 GAADMN CN(C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1nnn(C)n1 ZINC001579042618 1075497119 /nfs/dbraw/zinc/49/71/19/1075497119.db2.gz BMTYVHJENDXNGH-NSHDSACASA-N 0 1 390.383 -1.248 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001579042678 1075497088 /nfs/dbraw/zinc/49/70/88/1075497088.db2.gz BZMWETSAIQVYJL-GDPRMGEGSA-N 0 1 379.446 -1.042 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001579042678 1075497084 /nfs/dbraw/zinc/49/70/84/1075497084.db2.gz BZMWETSAIQVYJL-GDPRMGEGSA-N 0 1 379.446 -1.042 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001579042682 1075497184 /nfs/dbraw/zinc/49/71/84/1075497184.db2.gz BZMWETSAIQVYJL-IEBDPFPHSA-N 0 1 379.446 -1.042 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001579042682 1075497181 /nfs/dbraw/zinc/49/71/81/1075497181.db2.gz BZMWETSAIQVYJL-IEBDPFPHSA-N 0 1 379.446 -1.042 20 0 GAADMN CN(C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@@H]1CNC(=O)N1 ZINC001579042886 1075497163 /nfs/dbraw/zinc/49/71/63/1075497163.db2.gz CCEYDYRXGCYPTC-AAEUAGOBSA-N 0 1 392.395 -1.404 20 0 GAADMN CN(C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@H]1CNC(=O)N1 ZINC001579042888 1075497097 /nfs/dbraw/zinc/49/70/97/1075497097.db2.gz CCEYDYRXGCYPTC-DGCLKSJQSA-N 0 1 392.395 -1.404 20 0 GAADMN CN(C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@H]1CNC(=O)N1 ZINC001579042890 1075497105 /nfs/dbraw/zinc/49/71/05/1075497105.db2.gz CCEYDYRXGCYPTC-WCQYABFASA-N 0 1 392.395 -1.404 20 0 GAADMN CN(C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@@H]1CNC(=O)N1 ZINC001579042892 1075497071 /nfs/dbraw/zinc/49/70/71/1075497071.db2.gz CCEYDYRXGCYPTC-YPMHNXCESA-N 0 1 392.395 -1.404 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1nnn(C)n1 ZINC001579042998 1075497144 /nfs/dbraw/zinc/49/71/44/1075497144.db2.gz DYWLDSZGLLSZEK-MRVPVSSYSA-N 0 1 378.422 -1.326 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1nnn(C)n1 ZINC001579042998 1075497143 /nfs/dbraw/zinc/49/71/43/1075497143.db2.gz DYWLDSZGLLSZEK-MRVPVSSYSA-N 0 1 378.422 -1.326 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1nnn(C)n1 ZINC001579042999 1075497169 /nfs/dbraw/zinc/49/71/69/1075497169.db2.gz DYWLDSZGLLSZEK-QMMMGPOBSA-N 0 1 378.422 -1.326 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1nnn(C)n1 ZINC001579042999 1075497168 /nfs/dbraw/zinc/49/71/68/1075497168.db2.gz DYWLDSZGLLSZEK-QMMMGPOBSA-N 0 1 378.422 -1.326 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)Cn1cnnn1 ZINC001579043616 1075497459 /nfs/dbraw/zinc/49/74/59/1075497459.db2.gz HQJSCGBABINRGD-SECBINFHSA-N 0 1 378.422 -1.476 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1cnnn1 ZINC001579043616 1075497457 /nfs/dbraw/zinc/49/74/57/1075497457.db2.gz HQJSCGBABINRGD-SECBINFHSA-N 0 1 378.422 -1.476 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)Cn1cnnn1 ZINC001579043617 1075497610 /nfs/dbraw/zinc/49/76/10/1075497610.db2.gz HQJSCGBABINRGD-VIFPVBQESA-N 0 1 378.422 -1.476 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1cnnn1 ZINC001579043617 1075497608 /nfs/dbraw/zinc/49/76/08/1075497608.db2.gz HQJSCGBABINRGD-VIFPVBQESA-N 0 1 378.422 -1.476 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@H]1COC(=O)N1 ZINC001579043676 1075497567 /nfs/dbraw/zinc/49/75/67/1075497567.db2.gz ISQWNXBBUCNEBS-PSASIEDQSA-N 0 1 381.418 -1.055 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@H]1COC(=O)N1 ZINC001579043676 1075497563 /nfs/dbraw/zinc/49/75/63/1075497563.db2.gz ISQWNXBBUCNEBS-PSASIEDQSA-N 0 1 381.418 -1.055 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@@H]1COC(=O)N1 ZINC001579043677 1075497522 /nfs/dbraw/zinc/49/75/22/1075497522.db2.gz ISQWNXBBUCNEBS-SCZZXKLOSA-N 0 1 381.418 -1.055 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@@H]1COC(=O)N1 ZINC001579043677 1075497520 /nfs/dbraw/zinc/49/75/20/1075497520.db2.gz ISQWNXBBUCNEBS-SCZZXKLOSA-N 0 1 381.418 -1.055 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@H]1COC(=O)N1 ZINC001579043678 1075497450 /nfs/dbraw/zinc/49/74/50/1075497450.db2.gz ISQWNXBBUCNEBS-WCBMZHEXSA-N 0 1 381.418 -1.055 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@H]1COC(=O)N1 ZINC001579043678 1075497447 /nfs/dbraw/zinc/49/74/47/1075497447.db2.gz ISQWNXBBUCNEBS-WCBMZHEXSA-N 0 1 381.418 -1.055 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@@H]1COC(=O)N1 ZINC001579043679 1075497603 /nfs/dbraw/zinc/49/76/03/1075497603.db2.gz ISQWNXBBUCNEBS-WPRPVWTQSA-N 0 1 381.418 -1.055 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@@H]1COC(=O)N1 ZINC001579043679 1075497600 /nfs/dbraw/zinc/49/76/00/1075497600.db2.gz ISQWNXBBUCNEBS-WPRPVWTQSA-N 0 1 381.418 -1.055 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)CS(C)(=O)=O ZINC001579043682 1075497592 /nfs/dbraw/zinc/49/75/92/1075497592.db2.gz IUURGQYNRGWAPB-SECBINFHSA-N 0 1 388.475 -1.118 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)CS(C)(=O)=O ZINC001579043682 1075497591 /nfs/dbraw/zinc/49/75/91/1075497591.db2.gz IUURGQYNRGWAPB-SECBINFHSA-N 0 1 388.475 -1.118 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)CS(C)(=O)=O ZINC001579043683 1075497554 /nfs/dbraw/zinc/49/75/54/1075497554.db2.gz IUURGQYNRGWAPB-VIFPVBQESA-N 0 1 388.475 -1.118 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)CS(C)(=O)=O ZINC001579043683 1075497552 /nfs/dbraw/zinc/49/75/52/1075497552.db2.gz IUURGQYNRGWAPB-VIFPVBQESA-N 0 1 388.475 -1.118 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@H]1CNC(=O)N1 ZINC001579043720 1075497487 /nfs/dbraw/zinc/49/74/87/1075497487.db2.gz JFJMWBCBIBCUBB-PSASIEDQSA-N 0 1 380.434 -1.482 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@H]1CNC(=O)N1 ZINC001579043720 1075497485 /nfs/dbraw/zinc/49/74/85/1075497485.db2.gz JFJMWBCBIBCUBB-PSASIEDQSA-N 0 1 380.434 -1.482 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579043723 1075497529 /nfs/dbraw/zinc/49/75/29/1075497529.db2.gz JFJMWBCBIBCUBB-SCZZXKLOSA-N 0 1 380.434 -1.482 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579043723 1075497527 /nfs/dbraw/zinc/49/75/27/1075497527.db2.gz JFJMWBCBIBCUBB-SCZZXKLOSA-N 0 1 380.434 -1.482 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@H]1CNC(=O)N1 ZINC001579043725 1075497479 /nfs/dbraw/zinc/49/74/79/1075497479.db2.gz JFJMWBCBIBCUBB-WCBMZHEXSA-N 0 1 380.434 -1.482 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@H]1CNC(=O)N1 ZINC001579043725 1075497477 /nfs/dbraw/zinc/49/74/77/1075497477.db2.gz JFJMWBCBIBCUBB-WCBMZHEXSA-N 0 1 380.434 -1.482 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579043727 1075497502 /nfs/dbraw/zinc/49/75/02/1075497502.db2.gz JFJMWBCBIBCUBB-WPRPVWTQSA-N 0 1 380.434 -1.482 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579043727 1075497498 /nfs/dbraw/zinc/49/74/98/1075497498.db2.gz JFJMWBCBIBCUBB-WPRPVWTQSA-N 0 1 380.434 -1.482 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)CCNC(N)=O ZINC001579043931 1075497899 /nfs/dbraw/zinc/49/78/99/1075497899.db2.gz JRQHLDGCJHCSCY-SECBINFHSA-N 0 1 382.450 -1.105 20 0 GAADMN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)CCNC(N)=O ZINC001579043931 1075497896 /nfs/dbraw/zinc/49/78/96/1075497896.db2.gz JRQHLDGCJHCSCY-SECBINFHSA-N 0 1 382.450 -1.105 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)CCNC(N)=O ZINC001579043933 1075497929 /nfs/dbraw/zinc/49/79/29/1075497929.db2.gz JRQHLDGCJHCSCY-VIFPVBQESA-N 0 1 382.450 -1.105 20 0 GAADMN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)CCNC(N)=O ZINC001579043933 1075497926 /nfs/dbraw/zinc/49/79/26/1075497926.db2.gz JRQHLDGCJHCSCY-VIFPVBQESA-N 0 1 382.450 -1.105 20 0 GAADMN CN(C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)Cn1ncnn1 ZINC001579046231 1075498012 /nfs/dbraw/zinc/49/80/12/1075498012.db2.gz YAJAKYKTLLOGKA-GFCCVEGCSA-N 0 1 390.383 -1.399 20 0 GAADMN CN(C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)Cn1ncnn1 ZINC001579046232 1075497885 /nfs/dbraw/zinc/49/78/85/1075497885.db2.gz YAJAKYKTLLOGKA-LBPRGKRZSA-N 0 1 390.383 -1.399 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCOCC1 ZINC001579048184 1075500286 /nfs/dbraw/zinc/50/02/86/1075500286.db2.gz CMNSEFBUKDBVKK-GFCCVEGCSA-N 0 1 376.421 -1.753 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCOCC1 ZINC001579048185 1075500126 /nfs/dbraw/zinc/50/01/26/1075500126.db2.gz CMNSEFBUKDBVKK-LBPRGKRZSA-N 0 1 376.421 -1.753 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1ccc(=O)n(C)n1 ZINC001579048210 1075500258 /nfs/dbraw/zinc/50/02/58/1075500258.db2.gz CUZGWXSZQGMPCI-JTQLQIEISA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1ccc(=O)n(C)n1 ZINC001579048211 1075500322 /nfs/dbraw/zinc/50/03/22/1075500322.db2.gz CUZGWXSZQGMPCI-SNVBAGLBSA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1ccn(C)c(=O)c1 ZINC001579048212 1075500246 /nfs/dbraw/zinc/50/02/46/1075500246.db2.gz CWZLOJXCPRWNIO-GFCCVEGCSA-N 0 1 384.400 -1.073 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1ccn(C)c(=O)c1 ZINC001579048213 1075500180 /nfs/dbraw/zinc/50/01/80/1075500180.db2.gz CWZLOJXCPRWNIO-LBPRGKRZSA-N 0 1 384.400 -1.073 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cccn(C)c1=O ZINC001579048394 1075500278 /nfs/dbraw/zinc/50/02/78/1075500278.db2.gz FUHRFUDUDPNXFY-LLVKDONJSA-N 0 1 384.400 -1.073 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cccn(C)c1=O ZINC001579048395 1075500072 /nfs/dbraw/zinc/50/00/72/1075500072.db2.gz FUHRFUDUDPNXFY-NSHDSACASA-N 0 1 384.400 -1.073 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)Cn1ccccc1=O ZINC001579048418 1075500330 /nfs/dbraw/zinc/50/03/30/1075500330.db2.gz GJUDMEVMAKKALR-GFCCVEGCSA-N 0 1 384.400 -1.223 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)Cn1ccccc1=O ZINC001579048419 1075500162 /nfs/dbraw/zinc/50/01/62/1075500162.db2.gz GJUDMEVMAKKALR-LBPRGKRZSA-N 0 1 384.400 -1.223 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CCCC(=O)N1C ZINC001579048591 1075500475 /nfs/dbraw/zinc/50/04/75/1075500475.db2.gz HSNAEAPHQWPGQQ-BXUZGUMPSA-N 0 1 388.432 -1.074 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC(=O)N1C ZINC001579048592 1075500524 /nfs/dbraw/zinc/50/05/24/1075500524.db2.gz HSNAEAPHQWPGQQ-FZMZJTMJSA-N 0 1 388.432 -1.074 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC(=O)N1C ZINC001579048593 1075500625 /nfs/dbraw/zinc/50/06/25/1075500625.db2.gz HSNAEAPHQWPGQQ-RISCZKNCSA-N 0 1 388.432 -1.074 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CCCC(=O)N1C ZINC001579048594 1075500596 /nfs/dbraw/zinc/50/05/96/1075500596.db2.gz HSNAEAPHQWPGQQ-SMDDNHRTSA-N 0 1 388.432 -1.074 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cc2n(n1)CCO2 ZINC001579048607 1075500607 /nfs/dbraw/zinc/50/06/07/1075500607.db2.gz HVSMHLJBJSRKFK-JTQLQIEISA-N 0 1 385.388 -1.183 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cc2n(n1)CCO2 ZINC001579048608 1075500617 /nfs/dbraw/zinc/50/06/17/1075500617.db2.gz HVSMHLJBJSRKFK-SNVBAGLBSA-N 0 1 385.388 -1.183 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001579048647 1075500601 /nfs/dbraw/zinc/50/06/01/1075500601.db2.gz IVCORZBSVXCQTJ-APPDUMDISA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001579048648 1075500533 /nfs/dbraw/zinc/50/05/33/1075500533.db2.gz IVCORZBSVXCQTJ-DIFFPNOSSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001579048649 1075500621 /nfs/dbraw/zinc/50/06/21/1075500621.db2.gz IVCORZBSVXCQTJ-GTNSWQLSSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001579048650 1075500566 /nfs/dbraw/zinc/50/05/66/1075500566.db2.gz IVCORZBSVXCQTJ-PIGZYNQJSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CCN1CCCC1=O ZINC001579048725 1075500502 /nfs/dbraw/zinc/50/05/02/1075500502.db2.gz KLGZGUPKIAJUQN-GFCCVEGCSA-N 0 1 388.432 -1.073 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CCN1CCCC1=O ZINC001579048726 1075500581 /nfs/dbraw/zinc/50/05/81/1075500581.db2.gz KLGZGUPKIAJUQN-LBPRGKRZSA-N 0 1 388.432 -1.073 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCNC(=O)CC1 ZINC001579048757 1075500491 /nfs/dbraw/zinc/50/04/91/1075500491.db2.gz AHTJOZHCTRLXNU-GHMZBOCLSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCNC(=O)CC1 ZINC001579048758 1075500558 /nfs/dbraw/zinc/50/05/58/1075500558.db2.gz AHTJOZHCTRLXNU-MNOVXSKESA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001579048759 1075500614 /nfs/dbraw/zinc/50/06/14/1075500614.db2.gz AHTJOZHCTRLXNU-QWRGUYRKSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001579048760 1075500541 /nfs/dbraw/zinc/50/05/41/1075500541.db2.gz AHTJOZHCTRLXNU-WDEREUQCSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1ccc(=O)n(C)c1 ZINC001579048845 1075500903 /nfs/dbraw/zinc/50/09/03/1075500903.db2.gz KRBSCHVHUKJHMF-GFCCVEGCSA-N 0 1 384.400 -1.073 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1ccc(=O)n(C)c1 ZINC001579048846 1075500917 /nfs/dbraw/zinc/50/09/17/1075500917.db2.gz KRBSCHVHUKJHMF-LBPRGKRZSA-N 0 1 384.400 -1.073 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cn(C)c(=O)n1C ZINC001579048855 1075500976 /nfs/dbraw/zinc/50/09/76/1075500976.db2.gz KZFUZAGHMCVTIA-JTQLQIEISA-N 0 1 387.404 -1.734 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cn(C)c(=O)n1C ZINC001579048856 1075500856 /nfs/dbraw/zinc/50/08/56/1075500856.db2.gz KZFUZAGHMCVTIA-SNVBAGLBSA-N 0 1 387.404 -1.734 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@H]1CCC(=O)NC1 ZINC001579048889 1075500966 /nfs/dbraw/zinc/50/09/66/1075500966.db2.gz LNKGUPBFNXYEQU-NEPJUHHUSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001579048890 1075500878 /nfs/dbraw/zinc/50/08/78/1075500878.db2.gz LNKGUPBFNXYEQU-NWDGAFQWSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001579048891 1075500844 /nfs/dbraw/zinc/50/08/44/1075500844.db2.gz LNKGUPBFNXYEQU-RYUDHWBXSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@H]1CCC(=O)NC1 ZINC001579048892 1075500910 /nfs/dbraw/zinc/50/09/10/1075500910.db2.gz LNKGUPBFNXYEQU-VXGBXAGGSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@H]1CC(=O)NC1=O ZINC001579048897 1075500926 /nfs/dbraw/zinc/50/09/26/1075500926.db2.gz LQAYSMWAMZAXBM-NXEZZACHSA-N 0 1 388.388 -2.032 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001579048898 1075500971 /nfs/dbraw/zinc/50/09/71/1075500971.db2.gz LQAYSMWAMZAXBM-UWVGGRQHSA-N 0 1 388.388 -2.032 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001579048899 1075500981 /nfs/dbraw/zinc/50/09/81/1075500981.db2.gz LQAYSMWAMZAXBM-VHSXEESVSA-N 0 1 388.388 -2.032 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@H]1CC(=O)NC1=O ZINC001579048900 1075500897 /nfs/dbraw/zinc/50/08/97/1075500897.db2.gz LQAYSMWAMZAXBM-ZJUUUORDSA-N 0 1 388.388 -2.032 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCOCC1=O ZINC001579048971 1075501252 /nfs/dbraw/zinc/50/12/52/1075501252.db2.gz NCYAERMJVKGONN-LLVKDONJSA-N 0 1 390.404 -2.226 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCOCC1=O ZINC001579048972 1075501294 /nfs/dbraw/zinc/50/12/94/1075501294.db2.gz NCYAERMJVKGONN-NSHDSACASA-N 0 1 390.404 -2.226 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C1CS(=O)(=O)C1 ZINC001579048977 1075501164 /nfs/dbraw/zinc/50/11/64/1075501164.db2.gz NEXWNMRCQDMMHP-JTQLQIEISA-N 0 1 381.418 -2.041 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C1CS(=O)(=O)C1 ZINC001579048978 1075501307 /nfs/dbraw/zinc/50/13/07/1075501307.db2.gz NEXWNMRCQDMMHP-SNVBAGLBSA-N 0 1 381.418 -2.041 20 0 GAADMN CN(CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CC1 ZINC001579049018 1075500987 /nfs/dbraw/zinc/50/09/87/1075500987.db2.gz CRVJPUKICJMNDH-LLVKDONJSA-N 0 1 389.420 -1.822 20 0 GAADMN CN(CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CC1 ZINC001579049020 1075500829 /nfs/dbraw/zinc/50/08/29/1075500829.db2.gz CRVJPUKICJMNDH-NSHDSACASA-N 0 1 389.420 -1.822 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1ccncn1 ZINC001579049030 1075501218 /nfs/dbraw/zinc/50/12/18/1075501218.db2.gz CUPNPTVCMMKJJH-GFCCVEGCSA-N 0 1 384.404 -1.267 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1ccncn1 ZINC001579049032 1075501363 /nfs/dbraw/zinc/50/13/63/1075501363.db2.gz CUPNPTVCMMKJJH-LBPRGKRZSA-N 0 1 384.404 -1.267 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCNC(=O)C1 ZINC001579049059 1075501132 /nfs/dbraw/zinc/50/11/32/1075501132.db2.gz DEVIKIJVYIBJBX-JTQLQIEISA-N 0 1 390.408 -3.258 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCNC(=O)C1 ZINC001579049062 1075501151 /nfs/dbraw/zinc/50/11/51/1075501151.db2.gz DEVIKIJVYIBJBX-SNVBAGLBSA-N 0 1 390.408 -3.258 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CS(=O)(=O)C1 ZINC001579049083 1075501117 /nfs/dbraw/zinc/50/11/17/1075501117.db2.gz DNRFUIATQLLKKS-SECBINFHSA-N 0 1 382.406 -2.646 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CS(=O)(=O)C1 ZINC001579049084 1075501376 /nfs/dbraw/zinc/50/13/76/1075501376.db2.gz DNRFUIATQLLKKS-VIFPVBQESA-N 0 1 382.406 -2.646 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnn(CCF)c1 ZINC001579049091 1075501655 /nfs/dbraw/zinc/50/16/55/1075501655.db2.gz DUGFCIIPVVNYEH-LLVKDONJSA-N 0 1 390.383 -1.210 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnn(CCF)c1 ZINC001579049092 1075501698 /nfs/dbraw/zinc/50/16/98/1075501698.db2.gz DUGFCIIPVVNYEH-NSHDSACASA-N 0 1 390.383 -1.210 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001579049093 1075501716 /nfs/dbraw/zinc/50/17/16/1075501716.db2.gz DXTAPJARUBHINJ-CHWSQXEVSA-N 0 1 387.448 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001579049094 1075501731 /nfs/dbraw/zinc/50/17/31/1075501731.db2.gz DXTAPJARUBHINJ-OLZOCXBDSA-N 0 1 387.448 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001579049095 1075501704 /nfs/dbraw/zinc/50/17/04/1075501704.db2.gz DXTAPJARUBHINJ-QWHCGFSZSA-N 0 1 387.448 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001579049096 1075501606 /nfs/dbraw/zinc/50/16/06/1075501606.db2.gz DXTAPJARUBHINJ-STQMWFEESA-N 0 1 387.448 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001579049101 1075501648 /nfs/dbraw/zinc/50/16/48/1075501648.db2.gz FCSHWFMOKGXIRT-NXEZZACHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCC(=O)NC1 ZINC001579049102 1075501751 /nfs/dbraw/zinc/50/17/51/1075501751.db2.gz FCSHWFMOKGXIRT-UWVGGRQHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCC(=O)NC1 ZINC001579049103 1075501671 /nfs/dbraw/zinc/50/16/71/1075501671.db2.gz FCSHWFMOKGXIRT-VHSXEESVSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001579049104 1075501586 /nfs/dbraw/zinc/50/15/86/1075501586.db2.gz FCSHWFMOKGXIRT-ZJUUUORDSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCCn1cccn1 ZINC001579049123 1075501594 /nfs/dbraw/zinc/50/15/94/1075501594.db2.gz FMJRRHUXUBLSNZ-GFCCVEGCSA-N 0 1 386.420 -1.013 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCCn1cccn1 ZINC001579049124 1075501661 /nfs/dbraw/zinc/50/16/61/1075501661.db2.gz FMJRRHUXUBLSNZ-LBPRGKRZSA-N 0 1 386.420 -1.013 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CO[C@@H]1CCOC1 ZINC001579049137 1075501763 /nfs/dbraw/zinc/50/17/63/1075501763.db2.gz FTYJUBHRCCUFJY-GHMZBOCLSA-N 0 1 378.393 -1.885 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CO[C@H]1CCOC1 ZINC001579049138 1075501635 /nfs/dbraw/zinc/50/16/35/1075501635.db2.gz FTYJUBHRCCUFJY-MNOVXSKESA-N 0 1 378.393 -1.885 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CO[C@H]1CCOC1 ZINC001579049139 1075501674 /nfs/dbraw/zinc/50/16/74/1075501674.db2.gz FTYJUBHRCCUFJY-QWRGUYRKSA-N 0 1 378.393 -1.885 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CO[C@@H]1CCOC1 ZINC001579049140 1075501573 /nfs/dbraw/zinc/50/15/73/1075501573.db2.gz FTYJUBHRCCUFJY-WDEREUQCSA-N 0 1 378.393 -1.885 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001579049155 1075502020 /nfs/dbraw/zinc/50/20/20/1075502020.db2.gz OYBRHQKODYDTOL-GRYCIOLGSA-N 0 1 388.432 -1.184 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001579049156 1075502126 /nfs/dbraw/zinc/50/21/26/1075502126.db2.gz OYBRHQKODYDTOL-WOPDTQHZSA-N 0 1 388.432 -1.184 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cccc(=O)n1C ZINC001579049237 1075502098 /nfs/dbraw/zinc/50/20/98/1075502098.db2.gz QUMOLKQJFCVPSH-LLVKDONJSA-N 0 1 384.400 -1.073 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cccc(=O)n1C ZINC001579049238 1075502065 /nfs/dbraw/zinc/50/20/65/1075502065.db2.gz QUMOLKQJFCVPSH-NSHDSACASA-N 0 1 384.400 -1.073 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@H]1CCN(C)C1=O ZINC001579049239 1075502119 /nfs/dbraw/zinc/50/21/19/1075502119.db2.gz QUQBOCCWOCYMGX-NEPJUHHUSA-N 0 1 388.432 -1.217 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@@H]1CCN(C)C1=O ZINC001579049240 1075502082 /nfs/dbraw/zinc/50/20/82/1075502082.db2.gz QUQBOCCWOCYMGX-NWDGAFQWSA-N 0 1 388.432 -1.217 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@@H]1CCN(C)C1=O ZINC001579049241 1075502143 /nfs/dbraw/zinc/50/21/43/1075502143.db2.gz QUQBOCCWOCYMGX-RYUDHWBXSA-N 0 1 388.432 -1.217 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@H]1CCN(C)C1=O ZINC001579049242 1075502011 /nfs/dbraw/zinc/50/20/11/1075502011.db2.gz QUQBOCCWOCYMGX-VXGBXAGGSA-N 0 1 388.432 -1.217 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001579049245 1075501683 /nfs/dbraw/zinc/50/16/83/1075501683.db2.gz FUZZEEBMXPOTPT-NEPJUHHUSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001579049245 1075501682 /nfs/dbraw/zinc/50/16/82/1075501682.db2.gz FUZZEEBMXPOTPT-NEPJUHHUSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001579049245 1075501680 /nfs/dbraw/zinc/50/16/80/1075501680.db2.gz FUZZEEBMXPOTPT-NEPJUHHUSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001579049246 1075501547 /nfs/dbraw/zinc/50/15/47/1075501547.db2.gz FUZZEEBMXPOTPT-NWDGAFQWSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001579049246 1075501545 /nfs/dbraw/zinc/50/15/45/1075501545.db2.gz FUZZEEBMXPOTPT-NWDGAFQWSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001579049246 1075501543 /nfs/dbraw/zinc/50/15/43/1075501543.db2.gz FUZZEEBMXPOTPT-NWDGAFQWSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001579049247 1075502151 /nfs/dbraw/zinc/50/21/51/1075502151.db2.gz FUZZEEBMXPOTPT-RYUDHWBXSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001579049247 1075502149 /nfs/dbraw/zinc/50/21/49/1075502149.db2.gz FUZZEEBMXPOTPT-RYUDHWBXSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001579049247 1075502147 /nfs/dbraw/zinc/50/21/47/1075502147.db2.gz FUZZEEBMXPOTPT-RYUDHWBXSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001579049248 1075502162 /nfs/dbraw/zinc/50/21/62/1075502162.db2.gz FUZZEEBMXPOTPT-VXGBXAGGSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001579049248 1075502160 /nfs/dbraw/zinc/50/21/60/1075502160.db2.gz FUZZEEBMXPOTPT-VXGBXAGGSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001579049248 1075502159 /nfs/dbraw/zinc/50/21/59/1075502159.db2.gz FUZZEEBMXPOTPT-VXGBXAGGSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)Cn1cc(Cl)cn1 ZINC001579049263 1075502037 /nfs/dbraw/zinc/50/20/37/1075502037.db2.gz GCCUAEDPIMKRNR-JTQLQIEISA-N 0 1 392.811 -1.140 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)Cn1cc(Cl)cn1 ZINC001579049264 1075501982 /nfs/dbraw/zinc/50/19/82/1075501982.db2.gz GCCUAEDPIMKRNR-SNVBAGLBSA-N 0 1 392.811 -1.140 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCC(=O)N1 ZINC001579049283 1075502091 /nfs/dbraw/zinc/50/20/91/1075502091.db2.gz GHEHDQFVMPXBCV-NXEZZACHSA-N 0 1 375.393 -2.022 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001579049284 1075502140 /nfs/dbraw/zinc/50/21/40/1075502140.db2.gz GHEHDQFVMPXBCV-UWVGGRQHSA-N 0 1 375.393 -2.022 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001579049285 1075502578 /nfs/dbraw/zinc/50/25/78/1075502578.db2.gz GHEHDQFVMPXBCV-VHSXEESVSA-N 0 1 375.393 -2.022 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCC(=O)N1 ZINC001579049286 1075502428 /nfs/dbraw/zinc/50/24/28/1075502428.db2.gz GHEHDQFVMPXBCV-ZJUUUORDSA-N 0 1 375.393 -2.022 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCCC(=O)N1 ZINC001579049293 1075502458 /nfs/dbraw/zinc/50/24/58/1075502458.db2.gz GKFJKQFKXJZVLW-GHMZBOCLSA-N 0 1 389.420 -1.631 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCCC(=O)N1 ZINC001579049294 1075502475 /nfs/dbraw/zinc/50/24/75/1075502475.db2.gz GKFJKQFKXJZVLW-MNOVXSKESA-N 0 1 389.420 -1.631 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001579049295 1075502547 /nfs/dbraw/zinc/50/25/47/1075502547.db2.gz GKFJKQFKXJZVLW-QWRGUYRKSA-N 0 1 389.420 -1.631 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001579049296 1075502414 /nfs/dbraw/zinc/50/24/14/1075502414.db2.gz GKFJKQFKXJZVLW-WDEREUQCSA-N 0 1 389.420 -1.631 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccn(C)c(=O)c1 ZINC001579049309 1075502516 /nfs/dbraw/zinc/50/25/16/1075502516.db2.gz GQHJZMIOHJDKAE-LLVKDONJSA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccn(C)c(=O)c1 ZINC001579049310 1075502495 /nfs/dbraw/zinc/50/24/95/1075502495.db2.gz GQHJZMIOHJDKAE-NSHDSACASA-N 0 1 385.388 -1.678 20 0 GAADMN CN(CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C1CC1 ZINC001579049364 1075502526 /nfs/dbraw/zinc/50/25/26/1075502526.db2.gz RDZCSICYDTVKIB-GFCCVEGCSA-N 0 1 388.432 -1.217 20 0 GAADMN CN(CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C1CC1 ZINC001579049366 1075502593 /nfs/dbraw/zinc/50/25/93/1075502593.db2.gz RDZCSICYDTVKIB-LBPRGKRZSA-N 0 1 388.432 -1.217 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CCc1cnn(C)n1 ZINC001579049389 1075502379 /nfs/dbraw/zinc/50/23/79/1075502379.db2.gz RKSGGHBLHODWOA-GFCCVEGCSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CCc1cnn(C)n1 ZINC001579049393 1075502363 /nfs/dbraw/zinc/50/23/63/1075502363.db2.gz RKSGGHBLHODWOA-LBPRGKRZSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cc(=O)n(C)cn1 ZINC001579049395 1075502586 /nfs/dbraw/zinc/50/25/86/1075502586.db2.gz RNGUBYSLKFHDOT-JTQLQIEISA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)c1cc(=O)n(C)cn1 ZINC001579049397 1075502356 /nfs/dbraw/zinc/50/23/56/1075502356.db2.gz RNGUBYSLKFHDOT-SNVBAGLBSA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCNC(=O)C1 ZINC001579049419 1075502371 /nfs/dbraw/zinc/50/23/71/1075502371.db2.gz RYQRSCMKCJJSBC-LLVKDONJSA-N 0 1 389.420 -2.653 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCNC(=O)C1 ZINC001579049421 1075502347 /nfs/dbraw/zinc/50/23/47/1075502347.db2.gz RYQRSCMKCJJSBC-NSHDSACASA-N 0 1 389.420 -2.653 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CCCn1cncn1 ZINC001579049453 1075502905 /nfs/dbraw/zinc/50/29/05/1075502905.db2.gz SGWWCYVFYUAYML-GFCCVEGCSA-N 0 1 386.420 -1.013 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CCCn1cncn1 ZINC001579049455 1075502804 /nfs/dbraw/zinc/50/28/04/1075502804.db2.gz SGWWCYVFYUAYML-LBPRGKRZSA-N 0 1 386.420 -1.013 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)Cn1ccccc1=O ZINC001579049635 1075502780 /nfs/dbraw/zinc/50/27/80/1075502780.db2.gz IDZPAMFSLOVOOU-LLVKDONJSA-N 0 1 385.388 -1.828 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)Cn1ccccc1=O ZINC001579049637 1075502895 /nfs/dbraw/zinc/50/28/95/1075502895.db2.gz IDZPAMFSLOVOOU-NSHDSACASA-N 0 1 385.388 -1.828 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCCC(=O)N1C ZINC001579049718 1075502953 /nfs/dbraw/zinc/50/29/53/1075502953.db2.gz IVUADHXREPWYHD-GHMZBOCLSA-N 0 1 389.420 -1.679 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CCc1cn(C)nn1 ZINC001579049722 1075502925 /nfs/dbraw/zinc/50/29/25/1075502925.db2.gz UCCMKXPCBLBECD-GFCCVEGCSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CCc1cn(C)nn1 ZINC001579049725 1075502857 /nfs/dbraw/zinc/50/28/57/1075502857.db2.gz UCCMKXPCBLBECD-LBPRGKRZSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCCC(=O)N1C ZINC001579049726 1075502917 /nfs/dbraw/zinc/50/29/17/1075502917.db2.gz IVUADHXREPWYHD-MNOVXSKESA-N 0 1 389.420 -1.679 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCCC(=O)N1C ZINC001579049730 1075502770 /nfs/dbraw/zinc/50/27/70/1075502770.db2.gz IVUADHXREPWYHD-QWRGUYRKSA-N 0 1 389.420 -1.679 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCCC(=O)N1C ZINC001579049733 1075502967 /nfs/dbraw/zinc/50/29/67/1075502967.db2.gz IVUADHXREPWYHD-WDEREUQCSA-N 0 1 389.420 -1.679 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CC1OCCCO1 ZINC001579049736 1075502819 /nfs/dbraw/zinc/50/28/19/1075502819.db2.gz IWACAHQXRLCFIO-JTQLQIEISA-N 0 1 378.393 -1.537 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CC1OCCCO1 ZINC001579049738 1075502796 /nfs/dbraw/zinc/50/27/96/1075502796.db2.gz IWACAHQXRLCFIO-SNVBAGLBSA-N 0 1 378.393 -1.537 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CCCN1C(N)=O ZINC001579049769 1075503272 /nfs/dbraw/zinc/50/32/72/1075503272.db2.gz UMDPUKCIAMXAJK-GWCFXTLKSA-N 0 1 389.420 -1.542 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CCCN1C(N)=O ZINC001579049774 1075503353 /nfs/dbraw/zinc/50/33/53/1075503353.db2.gz UMDPUKCIAMXAJK-MFKMUULPSA-N 0 1 389.420 -1.542 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@H]1COC(=O)C1 ZINC001579049793 1075503376 /nfs/dbraw/zinc/50/33/76/1075503376.db2.gz UVCBZGWTYJPJNS-GHMZBOCLSA-N 0 1 375.389 -1.132 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@H]1COC(=O)C1 ZINC001579049794 1075503294 /nfs/dbraw/zinc/50/32/94/1075503294.db2.gz UVCBZGWTYJPJNS-MNOVXSKESA-N 0 1 375.389 -1.132 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@@H]1COC(=O)C1 ZINC001579049795 1075503232 /nfs/dbraw/zinc/50/32/32/1075503232.db2.gz UVCBZGWTYJPJNS-QWRGUYRKSA-N 0 1 375.389 -1.132 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)C[C@@H]1COC(=O)C1 ZINC001579049796 1075503279 /nfs/dbraw/zinc/50/32/79/1075503279.db2.gz UVCBZGWTYJPJNS-WDEREUQCSA-N 0 1 375.389 -1.132 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCCNC1=O ZINC001579049797 1075503218 /nfs/dbraw/zinc/50/32/18/1075503218.db2.gz UVSYWRSHVDOCPX-LLVKDONJSA-N 0 1 389.420 -1.670 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCCNC1=O ZINC001579049798 1075503321 /nfs/dbraw/zinc/50/33/21/1075503321.db2.gz UVSYWRSHVDOCPX-NSHDSACASA-N 0 1 389.420 -1.670 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCCCC1=O ZINC001579049829 1075503225 /nfs/dbraw/zinc/50/32/25/1075503225.db2.gz VNWWRRUADSUUOO-GFCCVEGCSA-N 0 1 388.432 -1.073 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCCCC1=O ZINC001579049830 1075503286 /nfs/dbraw/zinc/50/32/86/1075503286.db2.gz VNWWRRUADSUUOO-LBPRGKRZSA-N 0 1 388.432 -1.073 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1ccnn1C ZINC001579050053 1075503252 /nfs/dbraw/zinc/50/32/52/1075503252.db2.gz JLNIRSYCSWWSQM-GFCCVEGCSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1ccnn1C ZINC001579050054 1075503367 /nfs/dbraw/zinc/50/33/67/1075503367.db2.gz JLNIRSYCSWWSQM-LBPRGKRZSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1ncccn1 ZINC001579050168 1075503242 /nfs/dbraw/zinc/50/32/42/1075503242.db2.gz KUQQOYHWQSGUCI-LLVKDONJSA-N 0 1 384.404 -1.267 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1ncccn1 ZINC001579050170 1075503343 /nfs/dbraw/zinc/50/33/43/1075503343.db2.gz KUQQOYHWQSGUCI-NSHDSACASA-N 0 1 384.404 -1.267 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCC(=O)N1C ZINC001579050196 1075503803 /nfs/dbraw/zinc/50/38/03/1075503803.db2.gz LEFPYOVMXHYGKH-NXEZZACHSA-N 0 1 375.393 -2.069 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCC(=O)N1C ZINC001579050199 1075503783 /nfs/dbraw/zinc/50/37/83/1075503783.db2.gz LEFPYOVMXHYGKH-VHSXEESVSA-N 0 1 375.393 -2.069 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001579050201 1075503711 /nfs/dbraw/zinc/50/37/11/1075503711.db2.gz LEIWQVJJFYLNPT-PSLIRLAXSA-N 0 1 375.393 -2.022 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001579050203 1075503643 /nfs/dbraw/zinc/50/36/43/1075503643.db2.gz LEIWQVJJFYLNPT-VFZGTOFNSA-N 0 1 375.393 -2.022 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001579050233 1075503796 /nfs/dbraw/zinc/50/37/96/1075503796.db2.gz LLMNNJIRXBVTDP-RXSPXGNFSA-N 0 1 386.416 -1.267 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001579050234 1075503740 /nfs/dbraw/zinc/50/37/40/1075503740.db2.gz LLMNNJIRXBVTDP-SSLNLQFTSA-N 0 1 386.416 -1.267 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CO[C@H]1CCOC1 ZINC001579050261 1075503683 /nfs/dbraw/zinc/50/36/83/1075503683.db2.gz YIHKPAJSSKMSHB-NEPJUHHUSA-N 0 1 377.405 -1.280 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CO[C@@H]1CCOC1 ZINC001579050262 1075503720 /nfs/dbraw/zinc/50/37/20/1075503720.db2.gz YIHKPAJSSKMSHB-NWDGAFQWSA-N 0 1 377.405 -1.280 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CO[C@H]1CCOC1 ZINC001579050263 1075503728 /nfs/dbraw/zinc/50/37/28/1075503728.db2.gz YIHKPAJSSKMSHB-RYUDHWBXSA-N 0 1 377.405 -1.280 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)CO[C@@H]1CCOC1 ZINC001579050264 1075503674 /nfs/dbraw/zinc/50/36/74/1075503674.db2.gz YIHKPAJSSKMSHB-VXGBXAGGSA-N 0 1 377.405 -1.280 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001579050277 1075503773 /nfs/dbraw/zinc/50/37/73/1075503773.db2.gz YRBLKZJJIYWTCM-APPDUMDISA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001579050278 1075503666 /nfs/dbraw/zinc/50/36/66/1075503666.db2.gz YRBLKZJJIYWTCM-DIFFPNOSSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001579050279 1075503754 /nfs/dbraw/zinc/50/37/54/1075503754.db2.gz YRBLKZJJIYWTCM-GTNSWQLSSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001579050280 1075503695 /nfs/dbraw/zinc/50/36/95/1075503695.db2.gz YRBLKZJJIYWTCM-PIGZYNQJSA-N 0 1 388.432 -1.169 20 0 GAADMN CN(C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)Cn1ncn(C)c1=O ZINC001579050283 1075503628 /nfs/dbraw/zinc/50/36/28/1075503628.db2.gz YRJWQDWYESOEOJ-JTQLQIEISA-N 0 1 388.392 -2.490 20 0 GAADMN CN(C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(=O)Cn1ncn(C)c1=O ZINC001579050286 1075503655 /nfs/dbraw/zinc/50/36/55/1075503655.db2.gz YRJWQDWYESOEOJ-SNVBAGLBSA-N 0 1 388.392 -2.490 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCOCC1=O ZINC001579050445 1075504035 /nfs/dbraw/zinc/50/40/35/1075504035.db2.gz LZPGRSYFRVHLSZ-JTQLQIEISA-N 0 1 391.392 -2.831 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCOCC1=O ZINC001579050446 1075504244 /nfs/dbraw/zinc/50/42/44/1075504244.db2.gz LZPGRSYFRVHLSZ-SNVBAGLBSA-N 0 1 391.392 -2.831 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cc2n(n1)CCO2 ZINC001579050455 1075504157 /nfs/dbraw/zinc/50/41/57/1075504157.db2.gz MDDFMLFXYCOYHB-SECBINFHSA-N 0 1 386.376 -1.788 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cc2n(n1)CCO2 ZINC001579050456 1075504089 /nfs/dbraw/zinc/50/40/89/1075504089.db2.gz MDDFMLFXYCOYHB-VIFPVBQESA-N 0 1 386.376 -1.788 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(=O)n(C)n1 ZINC001579050459 1075504119 /nfs/dbraw/zinc/50/41/19/1075504119.db2.gz MEGXFDLKBRVOJB-SECBINFHSA-N 0 1 386.376 -2.283 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(=O)n(C)n1 ZINC001579050460 1075504055 /nfs/dbraw/zinc/50/40/55/1075504055.db2.gz MEGXFDLKBRVOJB-VIFPVBQESA-N 0 1 386.376 -2.283 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCN(C)C1=O ZINC001579050471 1075504197 /nfs/dbraw/zinc/50/41/97/1075504197.db2.gz MIMAFZMJQOTPGM-GHMZBOCLSA-N 0 1 389.420 -1.822 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCN(C)C1=O ZINC001579050472 1075504234 /nfs/dbraw/zinc/50/42/34/1075504234.db2.gz MIMAFZMJQOTPGM-MNOVXSKESA-N 0 1 389.420 -1.822 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCN(C)C1=O ZINC001579050473 1075504024 /nfs/dbraw/zinc/50/40/24/1075504024.db2.gz MIMAFZMJQOTPGM-QWRGUYRKSA-N 0 1 389.420 -1.822 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCN(C)C1=O ZINC001579050474 1075504182 /nfs/dbraw/zinc/50/41/82/1075504182.db2.gz MIMAFZMJQOTPGM-WDEREUQCSA-N 0 1 389.420 -1.822 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cnccn1 ZINC001579050477 1075504046 /nfs/dbraw/zinc/50/40/46/1075504046.db2.gz MKBGZXMTEMCXGI-GFCCVEGCSA-N 0 1 384.404 -1.267 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cnccn1 ZINC001579050478 1075504138 /nfs/dbraw/zinc/50/41/38/1075504138.db2.gz MKBGZXMTEMCXGI-LBPRGKRZSA-N 0 1 384.404 -1.267 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCOCC1 ZINC001579050491 1075504256 /nfs/dbraw/zinc/50/42/56/1075504256.db2.gz MZSHRBXDKKOXLR-LLVKDONJSA-N 0 1 377.409 -2.358 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCOCC1 ZINC001579050492 1075504220 /nfs/dbraw/zinc/50/42/20/1075504220.db2.gz MZSHRBXDKKOXLR-NSHDSACASA-N 0 1 377.409 -2.358 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1nccn1C ZINC001579050493 1075504106 /nfs/dbraw/zinc/50/41/06/1075504106.db2.gz NABWQNLMCJUZTJ-LLVKDONJSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1nccn1C ZINC001579050494 1075504006 /nfs/dbraw/zinc/50/40/06/1075504006.db2.gz NABWQNLMCJUZTJ-NSHDSACASA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(=O)n(C)c1 ZINC001579050581 1075504065 /nfs/dbraw/zinc/50/40/65/1075504065.db2.gz NNKFRJKFAVQUEC-LLVKDONJSA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(=O)n(C)c1 ZINC001579050583 1075504170 /nfs/dbraw/zinc/50/41/70/1075504170.db2.gz NNKFRJKFAVQUEC-NSHDSACASA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cncnc1 ZINC001579050769 1075504646 /nfs/dbraw/zinc/50/46/46/1075504646.db2.gz OGPVAGJILMXEEV-GFCCVEGCSA-N 0 1 384.404 -1.267 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cncnc1 ZINC001579050770 1075504629 /nfs/dbraw/zinc/50/46/29/1075504629.db2.gz OGPVAGJILMXEEV-LBPRGKRZSA-N 0 1 384.404 -1.267 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(C)ccc1=O ZINC001579050779 1075504490 /nfs/dbraw/zinc/50/44/90/1075504490.db2.gz OOTDRTFBCHXNST-JTQLQIEISA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(C)ccc1=O ZINC001579050780 1075504594 /nfs/dbraw/zinc/50/45/94/1075504594.db2.gz OOTDRTFBCHXNST-SNVBAGLBSA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCCn1cncn1 ZINC001579051065 1075504498 /nfs/dbraw/zinc/50/44/98/1075504498.db2.gz QKOHJOJQJYTPEX-LLVKDONJSA-N 0 1 387.408 -1.618 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCCn1cncn1 ZINC001579051066 1075504581 /nfs/dbraw/zinc/50/45/81/1075504581.db2.gz QKOHJOJQJYTPEX-NSHDSACASA-N 0 1 387.408 -1.618 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CNC(=O)C(C)(C)C ZINC001579051099 1075504618 /nfs/dbraw/zinc/50/46/18/1075504618.db2.gz QYOZQKNYWRXTIH-JTQLQIEISA-N 0 1 391.436 -1.528 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CNC(=O)C(C)(C)C ZINC001579051100 1075504608 /nfs/dbraw/zinc/50/46/08/1075504608.db2.gz QYOZQKNYWRXTIH-SNVBAGLBSA-N 0 1 391.436 -1.528 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cccc(=O)n1C ZINC001579051113 1075504638 /nfs/dbraw/zinc/50/46/38/1075504638.db2.gz RGKBCBCDZSENSP-JTQLQIEISA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cccc(=O)n1C ZINC001579051114 1075504483 /nfs/dbraw/zinc/50/44/83/1075504483.db2.gz RGKBCBCDZSENSP-SNVBAGLBSA-N 0 1 385.388 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1n[nH]c2c1CCC2 ZINC001579051131 1075504520 /nfs/dbraw/zinc/50/45/20/1075504520.db2.gz RQEOJODRSRHXHP-SECBINFHSA-N 0 1 384.404 -1.165 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1n[nH]c2c1CCC2 ZINC001579051132 1075504465 /nfs/dbraw/zinc/50/44/65/1075504465.db2.gz RQEOJODRSRHXHP-VIFPVBQESA-N 0 1 384.404 -1.165 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1ccn(C)n1 ZINC001579051516 1075504537 /nfs/dbraw/zinc/50/45/37/1075504537.db2.gz SZQLXWGYJZIYAF-GFCCVEGCSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1ccn(C)n1 ZINC001579051518 1075504475 /nfs/dbraw/zinc/50/44/75/1075504475.db2.gz SZQLXWGYJZIYAF-LBPRGKRZSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(C)c(=O)n1C ZINC001579051536 1075504509 /nfs/dbraw/zinc/50/45/09/1075504509.db2.gz UCAWMAWQZKTVJI-SECBINFHSA-N 0 1 388.392 -2.339 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(C)c(=O)n1C ZINC001579051538 1075504551 /nfs/dbraw/zinc/50/45/51/1075504551.db2.gz UCAWMAWQZKTVJI-VIFPVBQESA-N 0 1 388.392 -2.339 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCCC1=O ZINC001579051955 1075504655 /nfs/dbraw/zinc/50/46/55/1075504655.db2.gz VFLZTOOWZCKAOO-LLVKDONJSA-N 0 1 389.420 -1.678 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCCC1=O ZINC001579051956 1075504565 /nfs/dbraw/zinc/50/45/65/1075504565.db2.gz VFLZTOOWZCKAOO-NSHDSACASA-N 0 1 389.420 -1.678 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cnn(C)c1 ZINC001579051959 1075504984 /nfs/dbraw/zinc/50/49/84/1075504984.db2.gz VHUJWYLZDYZCMX-GFCCVEGCSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cnn(C)c1 ZINC001579051960 1075505063 /nfs/dbraw/zinc/50/50/63/1075505063.db2.gz VHUJWYLZDYZCMX-LBPRGKRZSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCS(C)(=O)=O ZINC001579052057 1075505085 /nfs/dbraw/zinc/50/50/85/1075505085.db2.gz WBZGKFSBIUVYCK-SECBINFHSA-N 0 1 384.422 -2.256 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCS(C)(=O)=O ZINC001579052059 1075504999 /nfs/dbraw/zinc/50/49/99/1075504999.db2.gz WBZGKFSBIUVYCK-VIFPVBQESA-N 0 1 384.422 -2.256 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cn(C)nn1 ZINC001579052061 1075505017 /nfs/dbraw/zinc/50/50/17/1075505017.db2.gz WCICIJWFNYNBDS-LLVKDONJSA-N 0 1 387.408 -1.929 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cn(C)nn1 ZINC001579052066 1075504907 /nfs/dbraw/zinc/50/49/07/1075504907.db2.gz WCICIJWFNYNBDS-NSHDSACASA-N 0 1 387.408 -1.929 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CNC(=O)C1CC1 ZINC001579052077 1075504877 /nfs/dbraw/zinc/50/48/77/1075504877.db2.gz WOOFJDLJQWUNKJ-JTQLQIEISA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CNC(=O)C1CC1 ZINC001579052079 1075504896 /nfs/dbraw/zinc/50/48/96/1075504896.db2.gz WOOFJDLJQWUNKJ-SNVBAGLBSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1COC(=O)C1 ZINC001579052085 1075504824 /nfs/dbraw/zinc/50/48/24/1075504824.db2.gz WQAOLULKSCMYCO-NXEZZACHSA-N 0 1 376.377 -1.737 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1COC(=O)C1 ZINC001579052087 1075504948 /nfs/dbraw/zinc/50/49/48/1075504948.db2.gz WQAOLULKSCMYCO-UWVGGRQHSA-N 0 1 376.377 -1.737 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1COC(=O)C1 ZINC001579052089 1075504857 /nfs/dbraw/zinc/50/48/57/1075504857.db2.gz WQAOLULKSCMYCO-VHSXEESVSA-N 0 1 376.377 -1.737 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1COC(=O)C1 ZINC001579052091 1075504936 /nfs/dbraw/zinc/50/49/36/1075504936.db2.gz WQAOLULKSCMYCO-ZJUUUORDSA-N 0 1 376.377 -1.737 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCC1=O ZINC001579052123 1075505051 /nfs/dbraw/zinc/50/50/51/1075505051.db2.gz XBYHBZKTDCLVCI-JTQLQIEISA-N 0 1 375.393 -2.068 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCC1=O ZINC001579052125 1075505038 /nfs/dbraw/zinc/50/50/38/1075505038.db2.gz XBYHBZKTDCLVCI-SNVBAGLBSA-N 0 1 375.393 -2.068 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCCC(=O)N1 ZINC001579052414 1075504973 /nfs/dbraw/zinc/50/49/73/1075504973.db2.gz XSMNNUUYRFZKKC-NXEZZACHSA-N 0 1 375.393 -2.022 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCCC(=O)N1 ZINC001579052416 1075504925 /nfs/dbraw/zinc/50/49/25/1075504925.db2.gz XSMNNUUYRFZKKC-VHSXEESVSA-N 0 1 375.393 -2.022 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnc2n1CCC2 ZINC001579052444 1075504962 /nfs/dbraw/zinc/50/49/62/1075504962.db2.gz XZZWGJKFQHHUBZ-JTQLQIEISA-N 0 1 384.404 -1.234 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnc2n1CCC2 ZINC001579052446 1075505030 /nfs/dbraw/zinc/50/50/30/1075505030.db2.gz XZZWGJKFQHHUBZ-SNVBAGLBSA-N 0 1 384.404 -1.234 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CCC(O)CC1 ZINC001579052479 1075504841 /nfs/dbraw/zinc/50/48/41/1075504841.db2.gz YEMQMSQLHFHRDW-HTAVTVPLSA-N 0 1 376.421 -1.139 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CCC(O)CC1 ZINC001579052481 1075505074 /nfs/dbraw/zinc/50/50/74/1075505074.db2.gz YEMQMSQLHFHRDW-MCIGGMRASA-N 0 1 376.421 -1.139 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn2c(n1)CCC2 ZINC001579052485 1075505341 /nfs/dbraw/zinc/50/53/41/1075505341.db2.gz YFNCGGONNDDVGT-JTQLQIEISA-N 0 1 384.404 -1.234 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn2c(n1)CCC2 ZINC001579052487 1075505326 /nfs/dbraw/zinc/50/53/26/1075505326.db2.gz YFNCGGONNDDVGT-SNVBAGLBSA-N 0 1 384.404 -1.234 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCNC1=O ZINC001579052492 1075505276 /nfs/dbraw/zinc/50/52/76/1075505276.db2.gz YIILFACHVZZUHZ-NXEZZACHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCNC1=O ZINC001579052494 1075505364 /nfs/dbraw/zinc/50/53/64/1075505364.db2.gz YIILFACHVZZUHZ-UWVGGRQHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCNC1=O ZINC001579052496 1075505333 /nfs/dbraw/zinc/50/53/33/1075505333.db2.gz YIILFACHVZZUHZ-VHSXEESVSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCNC1=O ZINC001579052498 1075505356 /nfs/dbraw/zinc/50/53/56/1075505356.db2.gz YIILFACHVZZUHZ-ZJUUUORDSA-N 0 1 375.393 -2.164 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001579052518 1075505288 /nfs/dbraw/zinc/50/52/88/1075505288.db2.gz YMBPDQIDWMGOBB-HWPZZCPQSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001579052521 1075505406 /nfs/dbraw/zinc/50/54/06/1075505406.db2.gz YMBPDQIDWMGOBB-MGPLVRAMSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001579052522 1075505297 /nfs/dbraw/zinc/50/52/97/1075505297.db2.gz YMBPDQIDWMGOBB-QFYYESIMSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001579052524 1075505414 /nfs/dbraw/zinc/50/54/14/1075505414.db2.gz YMBPDQIDWMGOBB-QLJPJBMISA-N 0 1 389.420 -1.774 20 0 GAADMN CN(CC1CC1)C(=O)CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579063656 1075510912 /nfs/dbraw/zinc/51/09/12/1075510912.db2.gz HXKMSAFGWMFQJK-GFCCVEGCSA-N 0 1 376.421 -1.257 20 0 GAADMN CN(CC1CC1)C(=O)CN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579063657 1075510858 /nfs/dbraw/zinc/51/08/58/1075510858.db2.gz HXKMSAFGWMFQJK-LBPRGKRZSA-N 0 1 376.421 -1.257 20 0 GAADMN CN(CC1CC1)C(=O)CN[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579063738 1075511069 /nfs/dbraw/zinc/51/10/69/1075511069.db2.gz KJXGBZYMBUDQQG-GFCCVEGCSA-N 0 1 376.421 -1.257 20 0 GAADMN CN(CC1CC1)C(=O)CN[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579063739 1075511256 /nfs/dbraw/zinc/51/12/56/1075511256.db2.gz KJXGBZYMBUDQQG-LBPRGKRZSA-N 0 1 376.421 -1.257 20 0 GAADMN CN(CC1CC1)C(=O)CN[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579063893 1075511384 /nfs/dbraw/zinc/51/13/84/1075511384.db2.gz OIDLEZCWYWFDJD-LLVKDONJSA-N 0 1 376.421 -1.257 20 0 GAADMN CN(CC1CC1)C(=O)CN[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579063894 1075511288 /nfs/dbraw/zinc/51/12/88/1075511288.db2.gz OIDLEZCWYWFDJD-NSHDSACASA-N 0 1 376.421 -1.257 20 0 GAADMN CN(C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579084755 1075512258 /nfs/dbraw/zinc/51/22/58/1075512258.db2.gz PLJAOMHFTNIUNZ-JTQLQIEISA-N 0 1 392.445 -1.014 20 0 GAADMN CN(C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579084756 1075512321 /nfs/dbraw/zinc/51/23/21/1075512321.db2.gz PLJAOMHFTNIUNZ-SNVBAGLBSA-N 0 1 392.445 -1.014 20 0 GAADMN CN(CCCN(C)c1ccncc1-c1nn[nH]n1)C(=O)CN1CCNC(=O)C1 ZINC001579115479 1075514649 /nfs/dbraw/zinc/51/46/49/1075514649.db2.gz IXSVTTGLTLJGSD-UHFFFAOYSA-N 0 1 387.448 -1.022 20 0 GAADMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCOCC1=O ZINC001579116753 1075514565 /nfs/dbraw/zinc/51/45/65/1075514565.db2.gz GEAZLTVVSLRNHA-UHFFFAOYSA-N 0 1 389.420 -1.200 20 0 GAADMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001579116840 1075514919 /nfs/dbraw/zinc/51/49/19/1075514919.db2.gz IYYDHPIYNITHGE-WDEREUQCSA-N 0 1 389.420 -1.026 20 0 GAADMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C1CS(=O)(=O)C1 ZINC001579117077 1075515140 /nfs/dbraw/zinc/51/51/40/1075515140.db2.gz LNVQTXLBWYTVNR-UHFFFAOYSA-N 0 1 380.434 -1.014 20 0 GAADMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001579117855 1075514928 /nfs/dbraw/zinc/51/49/28/1075514928.db2.gz QVHPKFRLVGOHLE-VIFPVBQESA-N 0 1 388.392 -1.461 20 0 GAADMN CN(CCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)Cn1ncn(C)c1=O ZINC001579118379 1075515022 /nfs/dbraw/zinc/51/50/22/1075515022.db2.gz ZLQWHSMWFLXGFH-UHFFFAOYSA-N 0 1 387.408 -1.463 20 0 GAADMN CN(CCCNc1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001579127834 1075515565 /nfs/dbraw/zinc/51/55/65/1075515565.db2.gz DZURURPVKXISBX-GFCCVEGCSA-N 0 1 380.434 -1.364 20 0 GAADMN CN(CCCNc1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001579127835 1075515467 /nfs/dbraw/zinc/51/54/67/1075515467.db2.gz DZURURPVKXISBX-LBPRGKRZSA-N 0 1 380.434 -1.364 20 0 GAADMN CN(CCCNc1ccncc1-c1nn[nH]n1)C(=O)CCn1ncn(C)c1=O ZINC001579128131 1075515505 /nfs/dbraw/zinc/51/55/05/1075515505.db2.gz MSPHDXJYDILMQR-UHFFFAOYSA-N 0 1 386.420 -1.071 20 0 GAADMN CN(CCCNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCN(C)C(=O)C1 ZINC001579128328 1075515455 /nfs/dbraw/zinc/51/54/55/1075515455.db2.gz QUDMVVRBUSVVJH-UHFFFAOYSA-N 0 1 387.448 -1.282 20 0 GAADMN CN(CCCNc1ccncc1-c1nn[nH]n1)C(=O)CN1C(=O)CN(C)C1=O ZINC001579128640 1075515788 /nfs/dbraw/zinc/51/57/88/1075515788.db2.gz VYJUGMDLNBZTOQ-UHFFFAOYSA-N 0 1 387.404 -1.162 20 0 GAADMN C[N@@H+](CCCO)C1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001579128836 1075516034 /nfs/dbraw/zinc/51/60/34/1075516034.db2.gz VIHWGXNOBHAFLG-UHFFFAOYSA-N 0 1 392.420 -1.566 20 0 GAADMN C[N@H+](CCCO)C1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001579128836 1075516022 /nfs/dbraw/zinc/51/60/22/1075516022.db2.gz VIHWGXNOBHAFLG-UHFFFAOYSA-N 0 1 392.420 -1.566 20 0 GAADMN C[N@@H+](CCCO)C1CCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001579128836 1075516018 /nfs/dbraw/zinc/51/60/18/1075516018.db2.gz VIHWGXNOBHAFLG-UHFFFAOYSA-N 0 1 392.420 -1.566 20 0 GAADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC1(O)CCS(=O)(=O)CC1 ZINC001579131022 1075515899 /nfs/dbraw/zinc/51/58/99/1075515899.db2.gz WAGGTGGOEPSPRF-UHFFFAOYSA-N 0 1 384.466 -1.024 20 0 GAADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC1(O)CCS(=O)(=O)CC1 ZINC001579131022 1075515895 /nfs/dbraw/zinc/51/58/95/1075515895.db2.gz WAGGTGGOEPSPRF-UHFFFAOYSA-N 0 1 384.466 -1.024 20 0 GAADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC1(O)CCS(=O)(=O)CC1 ZINC001579131022 1075515892 /nfs/dbraw/zinc/51/58/92/1075515892.db2.gz WAGGTGGOEPSPRF-UHFFFAOYSA-N 0 1 384.466 -1.024 20 0 GAADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC1(O)CCS(=O)(=O)CC1 ZINC001579131022 1075515887 /nfs/dbraw/zinc/51/58/87/1075515887.db2.gz WAGGTGGOEPSPRF-UHFFFAOYSA-N 0 1 384.466 -1.024 20 0 GAADMN CN(CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)CCN1C(=O)CNC1=O ZINC001579138235 1075516300 /nfs/dbraw/zinc/51/63/00/1075516300.db2.gz WIMDWAMRNAVXPV-UHFFFAOYSA-N 0 1 375.393 -1.250 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CCNS(C)(=O)=O ZINC001579148037 1075516711 /nfs/dbraw/zinc/51/67/11/1075516711.db2.gz DXRFCURZUVDNAH-UHFFFAOYSA-N 0 1 383.438 -1.509 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCC(=O)NC1=O ZINC001579148042 1075516791 /nfs/dbraw/zinc/51/67/91/1075516791.db2.gz FEPOQFHUCSKCOR-UHFFFAOYSA-N 0 1 388.392 -1.507 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCOCC1=O ZINC001579148078 1075517358 /nfs/dbraw/zinc/51/73/58/1075517358.db2.gz GGUCHNXFLYGGJX-UHFFFAOYSA-N 0 1 375.393 -1.590 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001579148094 1075517118 /nfs/dbraw/zinc/51/71/18/1075517118.db2.gz GWEPIVOVQOSYTA-SECBINFHSA-N 0 1 381.422 -1.757 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001579148095 1075517293 /nfs/dbraw/zinc/51/72/93/1075517293.db2.gz GWEPIVOVQOSYTA-VIFPVBQESA-N 0 1 381.422 -1.757 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001579148177 1075517140 /nfs/dbraw/zinc/51/71/40/1075517140.db2.gz JMMMPKBEWWSFEB-UHFFFAOYSA-N 0 1 386.376 -1.486 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579148246 1075517313 /nfs/dbraw/zinc/51/73/13/1075517313.db2.gz MVFCPFJXBZWRNX-UHFFFAOYSA-N 0 1 383.438 -1.557 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CN(C)S(C)(=O)=O ZINC001579148252 1075517265 /nfs/dbraw/zinc/51/72/65/1075517265.db2.gz NCLVHBZXWIIMRJ-UHFFFAOYSA-N 0 1 383.438 -1.557 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CC1CS(=O)(=O)C1 ZINC001579148262 1075517176 /nfs/dbraw/zinc/51/71/76/1075517176.db2.gz NNDRDHVVWSGYTF-UHFFFAOYSA-N 0 1 380.434 -1.014 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)COCc1nncn1C ZINC001579148272 1075517279 /nfs/dbraw/zinc/51/72/79/1075517279.db2.gz NXFSHWSXNGCIMJ-UHFFFAOYSA-N 0 1 387.408 -1.103 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)CCn1ncn(C)c1=O ZINC001579148433 1075517329 /nfs/dbraw/zinc/51/73/29/1075517329.db2.gz UXFJKWKUESYSAM-UHFFFAOYSA-N 0 1 387.408 -1.463 20 0 GAADMN CN(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001579150444 1075517128 /nfs/dbraw/zinc/51/71/28/1075517128.db2.gz BLLZMFXJYNLZMS-UHFFFAOYSA-N 0 1 385.392 -1.453 20 0 GAADMN CN(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001579151091 1075517734 /nfs/dbraw/zinc/51/77/34/1075517734.db2.gz PMZLTCOBOJEQLE-LLVKDONJSA-N 0 1 380.434 -1.152 20 0 GAADMN CN(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001579151092 1075517764 /nfs/dbraw/zinc/51/77/64/1075517764.db2.gz PMZLTCOBOJEQLE-NSHDSACASA-N 0 1 380.434 -1.152 20 0 GAADMN CN(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001579151306 1075517700 /nfs/dbraw/zinc/51/77/00/1075517700.db2.gz YUYNNWRKWAONLZ-UHFFFAOYSA-N 0 1 386.376 -1.336 20 0 GAADMN CN(CCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(=O)c1cnon1 ZINC001579163310 1075518949 /nfs/dbraw/zinc/51/89/49/1075518949.db2.gz GWIYYRRFSFWQTE-UHFFFAOYSA-N 0 1 385.392 -1.066 20 0 GAADMN CN(CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579172327 1075519693 /nfs/dbraw/zinc/51/96/93/1075519693.db2.gz PPQSYMMHMOUKFE-SECBINFHSA-N 0 1 385.392 -1.231 20 0 GAADMN CN(CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579172328 1075519766 /nfs/dbraw/zinc/51/97/66/1075519766.db2.gz PPQSYMMHMOUKFE-VIFPVBQESA-N 0 1 385.392 -1.231 20 0 GAADMN CN(CCNC(=O)[C@H]1CCc2nnnn2CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579172399 1075520201 /nfs/dbraw/zinc/52/02/01/1075520201.db2.gz RLQLPEMXLNBTIS-JTQLQIEISA-N 0 1 384.408 -1.152 20 0 GAADMN CN(CCNC(=O)[C@@H]1CCc2nnnn2CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579172400 1075520158 /nfs/dbraw/zinc/52/01/58/1075520158.db2.gz RLQLPEMXLNBTIS-SNVBAGLBSA-N 0 1 384.408 -1.152 20 0 GAADMN CN(CCNC(=O)CCC(=O)N1CCOCC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579174969 1075520150 /nfs/dbraw/zinc/52/01/50/1075520150.db2.gz BRYXDUVTOQEJHF-UHFFFAOYSA-N 0 1 389.420 -1.152 20 0 GAADMN CN(C)S(=O)(=O)CCC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579179014 1075520728 /nfs/dbraw/zinc/52/07/28/1075520728.db2.gz WHSXURLCKMOXFA-UHFFFAOYSA-N 0 1 383.438 -1.509 20 0 GAADMN CN(C)S(=O)(=O)NCC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579179603 1075520540 /nfs/dbraw/zinc/52/05/40/1075520540.db2.gz DHAQGVHFVFAMOD-UHFFFAOYSA-N 0 1 384.426 -2.395 20 0 GAADMN CN(CCNC(=O)CN1CCCS1(=O)=O)c1ccncc1-c1nn[nH]n1 ZINC001579179892 1075520930 /nfs/dbraw/zinc/52/09/30/1075520930.db2.gz ROHJQAQQNJJQNX-UHFFFAOYSA-N 0 1 380.434 -1.150 20 0 GAADMN CN(C)S(=O)(=O)NCC(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001579180113 1075521128 /nfs/dbraw/zinc/52/11/28/1075521128.db2.gz YLSWCUIFRGAMGL-UHFFFAOYSA-N 0 1 383.438 -1.790 20 0 GAADMN CN(CCNC(=O)Cc1ccc(C(N)=O)nc1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579182538 1075521468 /nfs/dbraw/zinc/52/14/68/1075521468.db2.gz JEPUWILYSOXVMQ-UHFFFAOYSA-N 0 1 382.388 -1.054 20 0 GAADMN CN(CCNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001579184615 1075521987 /nfs/dbraw/zinc/52/19/87/1075521987.db2.gz AEAVONPSBLHOAE-UHFFFAOYSA-N 0 1 386.376 -2.230 20 0 GAADMN CN(CCNC(=O)Cn1cnc(C(N)=O)n1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579184669 1075521798 /nfs/dbraw/zinc/52/17/98/1075521798.db2.gz CHHHHSZUQKLZIW-UHFFFAOYSA-N 0 1 384.404 -1.195 20 0 GAADMN CN(CCNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccncc1-c1nn[nH]n1 ZINC001579184950 1075521943 /nfs/dbraw/zinc/52/19/43/1075521943.db2.gz QXDPESCEYVWDOD-UHFFFAOYSA-N 0 1 385.388 -1.625 20 0 GAADMN CN(CCNC(=O)Cc1nc2ncccn2n1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579185030 1075521956 /nfs/dbraw/zinc/52/19/56/1075521956.db2.gz VUDMGMQTADQYSB-UHFFFAOYSA-N 0 1 380.376 -1.111 20 0 GAADMN CN(CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579187176 1075522375 /nfs/dbraw/zinc/52/23/75/1075522375.db2.gz QLPNJQSKIKMKEB-JTQLQIEISA-N 0 1 383.376 -1.412 20 0 GAADMN CN(CCNC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001579201094 1075523412 /nfs/dbraw/zinc/52/34/12/1075523412.db2.gz BYBHSBSWGMBELU-UHFFFAOYSA-N 0 1 386.376 -2.080 20 0 GAADMN CN(CCNC(=O)c1cn(CC(N)=O)nn1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579201447 1075523582 /nfs/dbraw/zinc/52/35/82/1075523582.db2.gz KLCGIMWFZFMQEJ-UHFFFAOYSA-N 0 1 384.404 -1.195 20 0 GAADMN CN(CCN[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)S(C)(=O)=O ZINC001579205061 1075523522 /nfs/dbraw/zinc/52/35/22/1075523522.db2.gz IRSRLMLLRKFYAI-JTQLQIEISA-N 0 1 386.438 -2.234 20 0 GAADMN CN(CCN[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)S(C)(=O)=O ZINC001579205062 1075523814 /nfs/dbraw/zinc/52/38/14/1075523814.db2.gz IRSRLMLLRKFYAI-SNVBAGLBSA-N 0 1 386.438 -2.234 20 0 GAADMN CN(CCN[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)S(C)(=O)=O ZINC001579205196 1075523933 /nfs/dbraw/zinc/52/39/33/1075523933.db2.gz OOZDJMIIWCXMHQ-SECBINFHSA-N 0 1 386.438 -2.234 20 0 GAADMN CN(CCN[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)S(C)(=O)=O ZINC001579205197 1075523854 /nfs/dbraw/zinc/52/38/54/1075523854.db2.gz OOZDJMIIWCXMHQ-VIFPVBQESA-N 0 1 386.438 -2.234 20 0 GAADMN CN(CCN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001579205207 1075523889 /nfs/dbraw/zinc/52/38/89/1075523889.db2.gz OYAGPWYKJWWOIJ-JTQLQIEISA-N 0 1 386.438 -2.234 20 0 GAADMN CN(CCN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001579205208 1075523784 /nfs/dbraw/zinc/52/37/84/1075523784.db2.gz OYAGPWYKJWWOIJ-SNVBAGLBSA-N 0 1 386.438 -2.234 20 0 GAADMN CN(CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)CCS(C)(=O)=O ZINC001579206992 1075523927 /nfs/dbraw/zinc/52/39/27/1075523927.db2.gz SJXLXTQWOJVKCL-UHFFFAOYSA-N 0 1 378.436 -1.286 20 0 GAADMN CN(CCNS(=O)(=O)c1cccnc1-c1nn[nH]n1)CCS(C)(=O)=O ZINC001579207526 1075524377 /nfs/dbraw/zinc/52/43/77/1075524377.db2.gz OGYBFDFLMZMYES-UHFFFAOYSA-N 0 1 389.463 -1.484 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001579213198 1075524117 /nfs/dbraw/zinc/52/41/17/1075524117.db2.gz AIOGJHHWRNVLDC-UHFFFAOYSA-N 0 1 380.434 -1.084 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)C(C)(C)NS(C)(=O)=O ZINC001579213291 1075524665 /nfs/dbraw/zinc/52/46/65/1075524665.db2.gz CKEVSANRSKWREX-UHFFFAOYSA-N 0 1 383.438 -1.723 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@]1(C)CCCS1(=O)=O ZINC001579214359 1075524626 /nfs/dbraw/zinc/52/46/26/1075524626.db2.gz YQPYYRSKVSYFEO-AWEZNQCLSA-N 0 1 380.434 -1.084 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001579214360 1075524697 /nfs/dbraw/zinc/52/46/97/1075524697.db2.gz YQPYYRSKVSYFEO-CQSZACIVSA-N 0 1 380.434 -1.084 20 0 GAADMN CN(CCNc1ccncc1-c1nn[nH]n1)C(=O)C(C)(C)NS(C)(=O)=O ZINC001579214728 1075524632 /nfs/dbraw/zinc/52/46/32/1075524632.db2.gz NJGNDTGDDGUEPB-UHFFFAOYSA-N 0 1 382.450 -1.118 20 0 GAADMN CN(C)S(=O)(=O)NCC(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001579214741 1075524686 /nfs/dbraw/zinc/52/46/86/1075524686.db2.gz NWSHHMWUMGSCPQ-UHFFFAOYSA-N 0 1 383.438 -2.050 20 0 GAADMN CN(CCNc1ccncc1-c1nn[nH]n1)C(=O)CN1CCCS1(=O)=O ZINC001579214801 1075524724 /nfs/dbraw/zinc/52/47/24/1075524724.db2.gz QECYFRMKAFGDBA-UHFFFAOYSA-N 0 1 380.434 -1.411 20 0 GAADMN CN(C)S(=O)(=O)CCC(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001579214824 1075524717 /nfs/dbraw/zinc/52/47/17/1075524717.db2.gz QRSPZKXVILJDLR-UHFFFAOYSA-N 0 1 382.450 -1.165 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001579214896 1075524639 /nfs/dbraw/zinc/52/46/39/1075524639.db2.gz ACMUPEOXQITBSC-JTQLQIEISA-N 0 1 380.434 -1.084 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCCS1(=O)=O ZINC001579214897 1075524616 /nfs/dbraw/zinc/52/46/16/1075524616.db2.gz ACMUPEOXQITBSC-SNVBAGLBSA-N 0 1 380.434 -1.084 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001579214922 1075524597 /nfs/dbraw/zinc/52/45/97/1075524597.db2.gz BDUNQCPCEQXHGI-UHFFFAOYSA-N 0 1 382.388 -1.315 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)C1CCS(=O)(=O)CC1 ZINC001579214941 1075524608 /nfs/dbraw/zinc/52/46/08/1075524608.db2.gz CAJSJEVOQDMNBL-UHFFFAOYSA-N 0 1 380.434 -1.226 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCC(=O)N1CCOCC1 ZINC001579214976 1075524733 /nfs/dbraw/zinc/52/47/33/1075524733.db2.gz DPJFRJMANMYTKN-UHFFFAOYSA-N 0 1 389.420 -1.412 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001579214984 1075524577 /nfs/dbraw/zinc/52/45/77/1075524577.db2.gz FEDVRURGUTZPDT-JTQLQIEISA-N 0 1 383.376 -1.672 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001579214988 1075524652 /nfs/dbraw/zinc/52/46/52/1075524652.db2.gz FJUOYGNXEQCXLP-JTQLQIEISA-N 0 1 380.434 -1.226 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001579214989 1075524676 /nfs/dbraw/zinc/52/46/76/1075524676.db2.gz FJUOYGNXEQCXLP-SNVBAGLBSA-N 0 1 380.434 -1.226 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001579215090 1075524710 /nfs/dbraw/zinc/52/47/10/1075524710.db2.gz XNIAYFPMNNJNKZ-UHFFFAOYSA-N 0 1 386.376 -2.340 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)CNC(=O)c1ccncc1 ZINC001579215247 1075525046 /nfs/dbraw/zinc/52/50/46/1075525046.db2.gz IWXWCXMEHPEVRP-UHFFFAOYSA-N 0 1 382.388 -1.226 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001579215299 1075525078 /nfs/dbraw/zinc/52/50/78/1075525078.db2.gz JKSTXQNZFSOEJT-UHFFFAOYSA-N 0 1 386.424 -1.067 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCS1(=O)=O ZINC001579215302 1075525016 /nfs/dbraw/zinc/52/50/16/1075525016.db2.gz JLOLYMISGXNLEI-UHFFFAOYSA-N 0 1 381.422 -2.016 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001579215321 1075525070 /nfs/dbraw/zinc/52/50/70/1075525070.db2.gz KEUBQIXVLYDENK-JTQLQIEISA-N 0 1 383.420 -1.118 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001579215322 1075525002 /nfs/dbraw/zinc/52/50/02/1075525002.db2.gz KEUBQIXVLYDENK-SNVBAGLBSA-N 0 1 383.420 -1.118 20 0 GAADMN CN(C)S(=O)(=O)CCC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579215364 1075525058 /nfs/dbraw/zinc/52/50/58/1075525058.db2.gz MDYYYUMMYZUYLK-UHFFFAOYSA-N 0 1 383.438 -1.770 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001579215472 1075524989 /nfs/dbraw/zinc/52/49/89/1075524989.db2.gz QSCIRTKACFKCFR-UHFFFAOYSA-N 0 1 386.376 -2.491 20 0 GAADMN CN(C)S(=O)(=O)NCC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579215474 1075525093 /nfs/dbraw/zinc/52/50/93/1075525093.db2.gz QWPPJXZHRRHSGS-UHFFFAOYSA-N 0 1 384.426 -2.655 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001579215481 1075525104 /nfs/dbraw/zinc/52/51/04/1075525104.db2.gz RBZGUVRLRDQLMO-SECBINFHSA-N 0 1 385.392 -1.491 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001579215482 1075525137 /nfs/dbraw/zinc/52/51/37/1075525137.db2.gz RBZGUVRLRDQLMO-VIFPVBQESA-N 0 1 385.392 -1.491 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)CNC(=O)c1ccccn1 ZINC001579215514 1075524952 /nfs/dbraw/zinc/52/49/52/1075524952.db2.gz RFGTZGRFIFOYBU-UHFFFAOYSA-N 0 1 382.388 -1.226 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001579215570 1075525096 /nfs/dbraw/zinc/52/50/96/1075525096.db2.gz USVYWNZYBWQZBV-MNOVXSKESA-N 0 1 389.420 -1.238 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001579215673 1075524970 /nfs/dbraw/zinc/52/49/70/1075524970.db2.gz ZWYORYLKXMCLAX-JTQLQIEISA-N 0 1 384.408 -1.412 20 0 GAADMN CN(CCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001579215674 1075525114 /nfs/dbraw/zinc/52/51/14/1075525114.db2.gz ZWYORYLKXMCLAX-SNVBAGLBSA-N 0 1 384.408 -1.412 20 0 GAADMN CN(CCNc1ccncc1-c1nn[nH]n1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001579216961 1075525143 /nfs/dbraw/zinc/52/51/43/1075525143.db2.gz AITZETCURWBZHK-UHFFFAOYSA-N 0 1 385.388 -1.735 20 0 GAADMN CN(CCNc1ccncc1-c1nn[nH]n1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001579217582 1075525082 /nfs/dbraw/zinc/52/50/82/1075525082.db2.gz PPSCVXGCZWJGJK-UHFFFAOYSA-N 0 1 385.388 -1.886 20 0 GAADMN CN(CCOCCNC(=O)CN1CCOCC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579227372 1075526025 /nfs/dbraw/zinc/52/60/25/1075526025.db2.gz DCDNKSVCSVGYAK-UHFFFAOYSA-N 0 1 391.436 -1.442 20 0 GAADMN CN(CCOCCNC(=O)[C@H]1COC(=O)N1)c1ccncc1-c1nn[nH]n1 ZINC001579227507 1075525956 /nfs/dbraw/zinc/52/59/56/1075525956.db2.gz JGPHIGLRQOJKGY-LLVKDONJSA-N 0 1 376.377 -1.061 20 0 GAADMN CN(CCOCCNC(=O)[C@@H]1COC(=O)N1)c1ccncc1-c1nn[nH]n1 ZINC001579227508 1075525840 /nfs/dbraw/zinc/52/58/40/1075525840.db2.gz JGPHIGLRQOJKGY-NSHDSACASA-N 0 1 376.377 -1.061 20 0 GAADMN CN(CCOCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)C1(C(N)=O)CC1 ZINC001579227526 1075526003 /nfs/dbraw/zinc/52/60/03/1075526003.db2.gz JWFIQFYEMDIWRL-UHFFFAOYSA-N 0 1 389.420 -1.167 20 0 GAADMN CN(CCOCCNC(=O)[C@@H]1CCC(=O)NC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579227553 1075526466 /nfs/dbraw/zinc/52/64/66/1075526466.db2.gz KQRBWLLNKGESOV-LLVKDONJSA-N 0 1 389.420 -1.248 20 0 GAADMN CN(CCOCCNC(=O)[C@H]1CCC(=O)NC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579227554 1075526452 /nfs/dbraw/zinc/52/64/52/1075526452.db2.gz KQRBWLLNKGESOV-NSHDSACASA-N 0 1 389.420 -1.248 20 0 GAADMN CN(CCOCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001579227599 1075526342 /nfs/dbraw/zinc/52/63/42/1075526342.db2.gz MITAQHMWQKXLIS-ZJUUUORDSA-N 0 1 375.393 -1.653 20 0 GAADMN CN(CCOCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1COCCO1 ZINC001579228208 1075526354 /nfs/dbraw/zinc/52/63/54/1075526354.db2.gz YUANGZWJGJNMBW-GFCCVEGCSA-N 0 1 392.420 -1.017 20 0 GAADMN CN(CCOCCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1COCCO1 ZINC001579228209 1075526413 /nfs/dbraw/zinc/52/64/13/1075526413.db2.gz YUANGZWJGJNMBW-LBPRGKRZSA-N 0 1 392.420 -1.017 20 0 GAADMN CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(=O)cn1 ZINC001579228839 1075526751 /nfs/dbraw/zinc/52/67/51/1075526751.db2.gz CNADSPHJVJBUJS-UHFFFAOYSA-N 0 1 386.376 -1.637 20 0 GAADMN CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)Cc1cnn(C)c1 ZINC001579229188 1075526798 /nfs/dbraw/zinc/52/67/98/1075526798.db2.gz JERSJIRCWIMLNR-UHFFFAOYSA-N 0 1 386.420 -1.058 20 0 GAADMN CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCCC(=O)N1 ZINC001579229200 1075526785 /nfs/dbraw/zinc/52/67/85/1075526785.db2.gz JONDHCHMWCRUMR-LLVKDONJSA-N 0 1 389.420 -1.366 20 0 GAADMN CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCN(C)C1=O ZINC001579229610 1075526953 /nfs/dbraw/zinc/52/69/53/1075526953.db2.gz WBCAYDDQSBUVHR-LLVKDONJSA-N 0 1 389.420 -1.556 20 0 GAADMN CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCN(C)C1=O ZINC001579229611 1075526823 /nfs/dbraw/zinc/52/68/23/1075526823.db2.gz WBCAYDDQSBUVHR-NSHDSACASA-N 0 1 389.420 -1.556 20 0 GAADMN CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCNC1=O ZINC001579229650 1075526883 /nfs/dbraw/zinc/52/68/83/1075526883.db2.gz XOMYAWMQQSWPNM-JTQLQIEISA-N 0 1 375.393 -1.898 20 0 GAADMN CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCNC1=O ZINC001579229651 1075526968 /nfs/dbraw/zinc/52/69/68/1075526968.db2.gz XOMYAWMQQSWPNM-SNVBAGLBSA-N 0 1 375.393 -1.898 20 0 GAADMN CN(C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1ncnn1 ZINC001579250764 1075527216 /nfs/dbraw/zinc/52/72/16/1075527216.db2.gz YJJQENWEHKPJPI-JTQLQIEISA-N 0 1 392.449 -1.134 20 0 GAADMN CN(C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1ncnn1 ZINC001579250764 1075527212 /nfs/dbraw/zinc/52/72/12/1075527212.db2.gz YJJQENWEHKPJPI-JTQLQIEISA-N 0 1 392.449 -1.134 20 0 GAADMN CN(C[C@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1ncnn1 ZINC001579250767 1075527336 /nfs/dbraw/zinc/52/73/36/1075527336.db2.gz YJJQENWEHKPJPI-SNVBAGLBSA-N 0 1 392.449 -1.134 20 0 GAADMN CN(C[C@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1ncnn1 ZINC001579250767 1075527332 /nfs/dbraw/zinc/52/73/32/1075527332.db2.gz YJJQENWEHKPJPI-SNVBAGLBSA-N 0 1 392.449 -1.134 20 0 GAADMN CN(C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1cnnn1 ZINC001579250790 1075527377 /nfs/dbraw/zinc/52/73/77/1075527377.db2.gz YUDGDJMQOAJHCT-JTQLQIEISA-N 0 1 392.449 -1.134 20 0 GAADMN CN(C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1cnnn1 ZINC001579250790 1075527367 /nfs/dbraw/zinc/52/73/67/1075527367.db2.gz YUDGDJMQOAJHCT-JTQLQIEISA-N 0 1 392.449 -1.134 20 0 GAADMN CN(C[C@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1cnnn1 ZINC001579250791 1075527259 /nfs/dbraw/zinc/52/72/59/1075527259.db2.gz YUDGDJMQOAJHCT-SNVBAGLBSA-N 0 1 392.449 -1.134 20 0 GAADMN CN(C[C@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C(=O)Cn1cnnn1 ZINC001579250791 1075527255 /nfs/dbraw/zinc/52/72/55/1075527255.db2.gz YUDGDJMQOAJHCT-SNVBAGLBSA-N 0 1 392.449 -1.134 20 0 GAADMN CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579266047 1075527864 /nfs/dbraw/zinc/52/78/64/1075527864.db2.gz BHYIYPHCAAAEOE-UHFFFAOYSA-N 0 1 390.389 -1.583 20 0 GAADMN CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001579266472 1075528288 /nfs/dbraw/zinc/52/82/88/1075528288.db2.gz OVRMBMXBAZDCSX-UHFFFAOYSA-N 0 1 379.362 -1.385 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001579279384 1075529159 /nfs/dbraw/zinc/52/91/59/1075529159.db2.gz CIIIXOYGWCPSFZ-BDAKNGLRSA-N 0 1 386.376 -1.708 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001579279385 1075529117 /nfs/dbraw/zinc/52/91/17/1075529117.db2.gz CIIIXOYGWCPSFZ-IUCAKERBSA-N 0 1 386.376 -1.708 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001579279420 1075529077 /nfs/dbraw/zinc/52/90/77/1075529077.db2.gz DKBDFJNAWSDROM-LLVKDONJSA-N 0 1 386.420 -1.874 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001579279421 1075529232 /nfs/dbraw/zinc/52/92/32/1075529232.db2.gz DKBDFJNAWSDROM-NSHDSACASA-N 0 1 386.420 -1.874 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001579280051 1075529141 /nfs/dbraw/zinc/52/91/41/1075529141.db2.gz LXEGJECPAJYQAN-GARJFASQSA-N 0 1 387.404 -1.273 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001579280052 1075529065 /nfs/dbraw/zinc/52/90/65/1075529065.db2.gz LXEGJECPAJYQAN-OUAUKWLOSA-N 0 1 387.404 -1.273 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001579281219 1075529198 /nfs/dbraw/zinc/52/91/98/1075529198.db2.gz XYDNUWGAHKNPOM-LLVKDONJSA-N 0 1 387.404 -1.447 20 0 GAADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001579281220 1075529219 /nfs/dbraw/zinc/52/92/19/1075529219.db2.gz XYDNUWGAHKNPOM-NSHDSACASA-N 0 1 387.404 -1.447 20 0 GAADMN CN1C(=O)C(=O)N(CC(=O)NCCCNc2ccncc2-c2nn[nH]n2)C1=O ZINC001579297955 1075530043 /nfs/dbraw/zinc/53/00/43/1075530043.db2.gz BCUZSBYGDCKJEC-UHFFFAOYSA-N 0 1 387.360 -1.978 20 0 GAADMN CN1C(=O)CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579299313 1075530386 /nfs/dbraw/zinc/53/03/86/1075530386.db2.gz DZMDRWHNNYXREC-NXEZZACHSA-N 0 1 375.393 -2.022 20 0 GAADMN CN1C(=O)CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579299314 1075530419 /nfs/dbraw/zinc/53/04/19/1075530419.db2.gz DZMDRWHNNYXREC-UWVGGRQHSA-N 0 1 375.393 -2.022 20 0 GAADMN CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579299315 1075530368 /nfs/dbraw/zinc/53/03/68/1075530368.db2.gz DZMDRWHNNYXREC-VHSXEESVSA-N 0 1 375.393 -2.022 20 0 GAADMN CN1C(=O)CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579299316 1075530478 /nfs/dbraw/zinc/53/04/78/1075530478.db2.gz DZMDRWHNNYXREC-ZJUUUORDSA-N 0 1 375.393 -2.022 20 0 GAADMN CN1C(=O)CC[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579299566 1075530832 /nfs/dbraw/zinc/53/08/32/1075530832.db2.gz LNPYTTFKGYWSLC-SNVBAGLBSA-N 0 1 375.393 -2.068 20 0 GAADMN CN1C(=O)CCC[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579299725 1075531709 /nfs/dbraw/zinc/53/17/09/1075531709.db2.gz OLXWVACTXQNRTO-LLVKDONJSA-N 0 1 389.420 -1.678 20 0 GAADMN CN1C(=O)CCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579299726 1075531736 /nfs/dbraw/zinc/53/17/36/1075531736.db2.gz OLXWVACTXQNRTO-NSHDSACASA-N 0 1 389.420 -1.678 20 0 GAADMN CN1C(=O)CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579299858 1075531959 /nfs/dbraw/zinc/53/19/59/1075531959.db2.gz RPIPUASIMWOBCT-NXEZZACHSA-N 0 1 375.393 -2.022 20 0 GAADMN CN1C(=O)CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579299859 1075532134 /nfs/dbraw/zinc/53/21/34/1075532134.db2.gz RPIPUASIMWOBCT-UWVGGRQHSA-N 0 1 375.393 -2.022 20 0 GAADMN CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579299860 1075531897 /nfs/dbraw/zinc/53/18/97/1075531897.db2.gz RPIPUASIMWOBCT-VHSXEESVSA-N 0 1 375.393 -2.022 20 0 GAADMN CN1C(=O)CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579299861 1075532025 /nfs/dbraw/zinc/53/20/25/1075532025.db2.gz RPIPUASIMWOBCT-ZJUUUORDSA-N 0 1 375.393 -2.022 20 0 GAADMN CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001579299992 1075531948 /nfs/dbraw/zinc/53/19/48/1075531948.db2.gz VELARWJLXLOSIT-GMTAPVOTSA-N 0 1 387.404 -1.667 20 0 GAADMN CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001579299993 1075532147 /nfs/dbraw/zinc/53/21/47/1075532147.db2.gz VELARWJLXLOSIT-OUAUKWLOSA-N 0 1 387.404 -1.667 20 0 GAADMN CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579303662 1075532835 /nfs/dbraw/zinc/53/28/35/1075532835.db2.gz KBDDVCOLTXVKMF-GHMZBOCLSA-N 0 1 387.404 -1.401 20 0 GAADMN CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579303663 1075532716 /nfs/dbraw/zinc/53/27/16/1075532716.db2.gz KBDDVCOLTXVKMF-WDEREUQCSA-N 0 1 387.404 -1.401 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579303690 1075532885 /nfs/dbraw/zinc/53/28/85/1075532885.db2.gz LNPYTTFKGYWSLC-JTQLQIEISA-N 0 1 375.393 -2.068 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579304135 1075533616 /nfs/dbraw/zinc/53/36/16/1075533616.db2.gz GUNJFCSXPPXZMN-MGPLVRAMSA-N 0 1 387.404 -1.665 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579304136 1075533537 /nfs/dbraw/zinc/53/35/37/1075533537.db2.gz GUNJFCSXPPXZMN-QFYYESIMSA-N 0 1 387.404 -1.665 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579304318 1075533492 /nfs/dbraw/zinc/53/34/92/1075533492.db2.gz PAVXVIFURLRFSK-MNOVXSKESA-N 0 1 387.404 -1.661 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579304319 1075533604 /nfs/dbraw/zinc/53/36/04/1075533604.db2.gz PAVXVIFURLRFSK-QWRGUYRKSA-N 0 1 387.404 -1.661 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579304593 1075533905 /nfs/dbraw/zinc/53/39/05/1075533905.db2.gz ZHMJJRDETNNJFU-FZMZJTMJSA-N 0 1 386.416 -1.056 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579304594 1075534149 /nfs/dbraw/zinc/53/41/49/1075534149.db2.gz ZHMJJRDETNNJFU-RISCZKNCSA-N 0 1 386.416 -1.056 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579307059 1075534550 /nfs/dbraw/zinc/53/45/50/1075534550.db2.gz BEFYIWVKILGCQH-MNOVXSKESA-N 0 1 387.404 -1.401 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579307060 1075534757 /nfs/dbraw/zinc/53/47/57/1075534757.db2.gz BEFYIWVKILGCQH-QWRGUYRKSA-N 0 1 387.404 -1.401 20 0 GAADMN CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579307239 1075534862 /nfs/dbraw/zinc/53/48/62/1075534862.db2.gz PAVXVIFURLRFSK-GHMZBOCLSA-N 0 1 387.404 -1.661 20 0 GAADMN CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579307240 1075534730 /nfs/dbraw/zinc/53/47/30/1075534730.db2.gz PAVXVIFURLRFSK-WDEREUQCSA-N 0 1 387.404 -1.661 20 0 GAADMN CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579307544 1075534721 /nfs/dbraw/zinc/53/47/21/1075534721.db2.gz KBDDVCOLTXVKMF-MNOVXSKESA-N 0 1 387.404 -1.401 20 0 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CN(C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579325931 1075554519 /nfs/dbraw/zinc/55/45/19/1075554519.db2.gz LOEBITOTUBMDCM-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579325931 1075554512 /nfs/dbraw/zinc/55/45/12/1075554512.db2.gz LOEBITOTUBMDCM-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579325931 1075554509 /nfs/dbraw/zinc/55/45/09/1075554509.db2.gz LOEBITOTUBMDCM-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579325933 1075554600 /nfs/dbraw/zinc/55/46/00/1075554600.db2.gz LOEBITOTUBMDCM-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579325933 1075554597 /nfs/dbraw/zinc/55/45/97/1075554597.db2.gz LOEBITOTUBMDCM-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579325933 1075554593 /nfs/dbraw/zinc/55/45/93/1075554593.db2.gz LOEBITOTUBMDCM-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579325933 1075554590 /nfs/dbraw/zinc/55/45/90/1075554590.db2.gz LOEBITOTUBMDCM-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326611 1075555192 /nfs/dbraw/zinc/55/51/92/1075555192.db2.gz PUMGQWJTBQRZGR-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326611 1075555187 /nfs/dbraw/zinc/55/51/87/1075555187.db2.gz PUMGQWJTBQRZGR-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326611 1075555182 /nfs/dbraw/zinc/55/51/82/1075555182.db2.gz PUMGQWJTBQRZGR-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326611 1075555178 /nfs/dbraw/zinc/55/51/78/1075555178.db2.gz PUMGQWJTBQRZGR-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326613 1075554853 /nfs/dbraw/zinc/55/48/53/1075554853.db2.gz PUMGQWJTBQRZGR-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326613 1075554848 /nfs/dbraw/zinc/55/48/48/1075554848.db2.gz PUMGQWJTBQRZGR-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326613 1075554842 /nfs/dbraw/zinc/55/48/42/1075554842.db2.gz PUMGQWJTBQRZGR-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326613 1075554838 /nfs/dbraw/zinc/55/48/38/1075554838.db2.gz PUMGQWJTBQRZGR-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326615 1075555157 /nfs/dbraw/zinc/55/51/57/1075555157.db2.gz PUMGQWJTBQRZGR-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326615 1075555154 /nfs/dbraw/zinc/55/51/54/1075555154.db2.gz PUMGQWJTBQRZGR-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326615 1075555149 /nfs/dbraw/zinc/55/51/49/1075555149.db2.gz PUMGQWJTBQRZGR-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326615 1075555145 /nfs/dbraw/zinc/55/51/45/1075555145.db2.gz PUMGQWJTBQRZGR-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326617 1075555061 /nfs/dbraw/zinc/55/50/61/1075555061.db2.gz PUMGQWJTBQRZGR-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326617 1075555055 /nfs/dbraw/zinc/55/50/55/1075555055.db2.gz PUMGQWJTBQRZGR-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326617 1075555052 /nfs/dbraw/zinc/55/50/52/1075555052.db2.gz PUMGQWJTBQRZGR-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326617 1075555047 /nfs/dbraw/zinc/55/50/47/1075555047.db2.gz PUMGQWJTBQRZGR-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326653 1075554949 /nfs/dbraw/zinc/55/49/49/1075554949.db2.gz QJRDEGLKWIZYCS-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326653 1075554945 /nfs/dbraw/zinc/55/49/45/1075554945.db2.gz QJRDEGLKWIZYCS-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nnn[n-]2)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326653 1075554942 /nfs/dbraw/zinc/55/49/42/1075554942.db2.gz QJRDEGLKWIZYCS-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326654 1075555025 /nfs/dbraw/zinc/55/50/25/1075555025.db2.gz QJRDEGLKWIZYCS-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326654 1075555020 /nfs/dbraw/zinc/55/50/20/1075555020.db2.gz QJRDEGLKWIZYCS-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nnn[n-]2)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326654 1075555015 /nfs/dbraw/zinc/55/50/15/1075555015.db2.gz QJRDEGLKWIZYCS-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326655 1075554994 /nfs/dbraw/zinc/55/49/94/1075554994.db2.gz QJRDEGLKWIZYCS-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326655 1075554990 /nfs/dbraw/zinc/55/49/90/1075554990.db2.gz QJRDEGLKWIZYCS-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccnc(-c2nnn[n-]2)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326655 1075554986 /nfs/dbraw/zinc/55/49/86/1075554986.db2.gz QJRDEGLKWIZYCS-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326656 1075554929 /nfs/dbraw/zinc/55/49/29/1075554929.db2.gz QJRDEGLKWIZYCS-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326656 1075554928 /nfs/dbraw/zinc/55/49/28/1075554928.db2.gz QJRDEGLKWIZYCS-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccnc(-c2nnn[n-]2)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326656 1075554924 /nfs/dbraw/zinc/55/49/24/1075554924.db2.gz QJRDEGLKWIZYCS-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326667 1075555227 /nfs/dbraw/zinc/55/52/27/1075555227.db2.gz QSLMOYZPUVHFDG-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326667 1075555221 /nfs/dbraw/zinc/55/52/21/1075555221.db2.gz QSLMOYZPUVHFDG-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326667 1075555208 /nfs/dbraw/zinc/55/52/08/1075555208.db2.gz QSLMOYZPUVHFDG-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326667 1075555205 /nfs/dbraw/zinc/55/52/05/1075555205.db2.gz QSLMOYZPUVHFDG-NEPJUHHUSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326668 1075555132 /nfs/dbraw/zinc/55/51/32/1075555132.db2.gz QSLMOYZPUVHFDG-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326668 1075555130 /nfs/dbraw/zinc/55/51/30/1075555130.db2.gz QSLMOYZPUVHFDG-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326668 1075555128 /nfs/dbraw/zinc/55/51/28/1075555128.db2.gz QSLMOYZPUVHFDG-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326668 1075555125 /nfs/dbraw/zinc/55/51/25/1075555125.db2.gz QSLMOYZPUVHFDG-NWDGAFQWSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326669 1075554916 /nfs/dbraw/zinc/55/49/16/1075554916.db2.gz QSLMOYZPUVHFDG-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326669 1075554913 /nfs/dbraw/zinc/55/49/13/1075554913.db2.gz QSLMOYZPUVHFDG-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326669 1075554910 /nfs/dbraw/zinc/55/49/10/1075554910.db2.gz QSLMOYZPUVHFDG-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326669 1075554906 /nfs/dbraw/zinc/55/49/06/1075554906.db2.gz QSLMOYZPUVHFDG-RYUDHWBXSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326670 1075555812 /nfs/dbraw/zinc/55/58/12/1075555812.db2.gz QSLMOYZPUVHFDG-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326670 1075555807 /nfs/dbraw/zinc/55/58/07/1075555807.db2.gz QSLMOYZPUVHFDG-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326670 1075555800 /nfs/dbraw/zinc/55/58/00/1075555800.db2.gz QSLMOYZPUVHFDG-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326670 1075555797 /nfs/dbraw/zinc/55/57/97/1075555797.db2.gz QSLMOYZPUVHFDG-VXGBXAGGSA-N 0 1 375.437 -1.136 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1CC[NH+](C)CC1 ZINC001579326679 1075555666 /nfs/dbraw/zinc/55/56/66/1075555666.db2.gz QXBMBZINBDFDNP-GFCCVEGCSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1CC[NH+](C)CC1 ZINC001579326680 1075555762 /nfs/dbraw/zinc/55/57/62/1075555762.db2.gz QXBMBZINBDFDNP-LBPRGKRZSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001579327283 1075556340 /nfs/dbraw/zinc/55/63/40/1075556340.db2.gz ZAFSYNNVRSIICR-GHMZBOCLSA-N 0 1 389.420 -1.822 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001579327284 1075556311 /nfs/dbraw/zinc/55/63/11/1075556311.db2.gz ZAFSYNNVRSIICR-MNOVXSKESA-N 0 1 389.420 -1.822 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001579327285 1075556132 /nfs/dbraw/zinc/55/61/32/1075556132.db2.gz ZAFSYNNVRSIICR-QWRGUYRKSA-N 0 1 389.420 -1.822 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001579327286 1075556299 /nfs/dbraw/zinc/55/62/99/1075556299.db2.gz ZAFSYNNVRSIICR-WDEREUQCSA-N 0 1 389.420 -1.822 20 0 GAADMN CN1CC[C@@H](C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CC1=O ZINC001579327302 1075556028 /nfs/dbraw/zinc/55/60/28/1075556028.db2.gz ZMYNTGYMIUPKCH-GFCCVEGCSA-N 0 1 388.432 -1.215 20 0 GAADMN CN1CC[C@H](C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CC1=O ZINC001579327303 1075556233 /nfs/dbraw/zinc/55/62/33/1075556233.db2.gz ZMYNTGYMIUPKCH-LBPRGKRZSA-N 0 1 388.432 -1.215 20 0 GAADMN CN1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1=O ZINC001579331459 1075557146 /nfs/dbraw/zinc/55/71/46/1075557146.db2.gz DOQDLVZRARLBEG-GXSJLCMTSA-N 0 1 379.446 -1.027 20 0 GAADMN CN1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1=O ZINC001579331460 1075557132 /nfs/dbraw/zinc/55/71/32/1075557132.db2.gz DOQDLVZRARLBEG-KOLCDFICSA-N 0 1 379.446 -1.027 20 0 GAADMN CN1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1=O ZINC001579331461 1075557152 /nfs/dbraw/zinc/55/71/52/1075557152.db2.gz DOQDLVZRARLBEG-MWLCHTKSSA-N 0 1 379.446 -1.027 20 0 GAADMN CN1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1=O ZINC001579331462 1075557149 /nfs/dbraw/zinc/55/71/49/1075557149.db2.gz DOQDLVZRARLBEG-ONGXEEELSA-N 0 1 379.446 -1.027 20 0 GAADMN CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001579333597 1075557835 /nfs/dbraw/zinc/55/78/35/1075557835.db2.gz RHFYJUIQAYCXDI-NXEZZACHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001579333599 1075558393 /nfs/dbraw/zinc/55/83/93/1075558393.db2.gz RHFYJUIQAYCXDI-UWVGGRQHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001579333601 1075558589 /nfs/dbraw/zinc/55/85/89/1075558589.db2.gz RHFYJUIQAYCXDI-VHSXEESVSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001579333603 1075558438 /nfs/dbraw/zinc/55/84/38/1075558438.db2.gz RHFYJUIQAYCXDI-ZJUUUORDSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001579334394 1075559130 /nfs/dbraw/zinc/55/91/30/1075559130.db2.gz XECCMDGJMLNGOI-NXEZZACHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001579334395 1075558765 /nfs/dbraw/zinc/55/87/65/1075558765.db2.gz XECCMDGJMLNGOI-UWVGGRQHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001579334396 1075559139 /nfs/dbraw/zinc/55/91/39/1075559139.db2.gz XECCMDGJMLNGOI-VHSXEESVSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1=O ZINC001579334397 1075559151 /nfs/dbraw/zinc/55/91/51/1075559151.db2.gz XECCMDGJMLNGOI-ZJUUUORDSA-N 0 1 375.393 -2.164 20 0 GAADMN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001579338019 1075559969 /nfs/dbraw/zinc/55/99/69/1075559969.db2.gz FAVXOTMOGDWPGD-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001579338019 1075559966 /nfs/dbraw/zinc/55/99/66/1075559966.db2.gz FAVXOTMOGDWPGD-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001579338019 1075559963 /nfs/dbraw/zinc/55/99/63/1075559963.db2.gz FAVXOTMOGDWPGD-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001579338019 1075559959 /nfs/dbraw/zinc/55/99/59/1075559959.db2.gz FAVXOTMOGDWPGD-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001579338020 1075560050 /nfs/dbraw/zinc/56/00/50/1075560050.db2.gz FAVXOTMOGDWPGD-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001579338020 1075560049 /nfs/dbraw/zinc/56/00/49/1075560049.db2.gz FAVXOTMOGDWPGD-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001579338020 1075560046 /nfs/dbraw/zinc/56/00/46/1075560046.db2.gz FAVXOTMOGDWPGD-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001579338020 1075560044 /nfs/dbraw/zinc/56/00/44/1075560044.db2.gz FAVXOTMOGDWPGD-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001579338560 1075559935 /nfs/dbraw/zinc/55/99/35/1075559935.db2.gz PFSBXUVBXCGPBW-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001579338560 1075559929 /nfs/dbraw/zinc/55/99/29/1075559929.db2.gz PFSBXUVBXCGPBW-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001579338560 1075559922 /nfs/dbraw/zinc/55/99/22/1075559922.db2.gz PFSBXUVBXCGPBW-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001579338560 1075559916 /nfs/dbraw/zinc/55/99/16/1075559916.db2.gz PFSBXUVBXCGPBW-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001579338561 1075560370 /nfs/dbraw/zinc/56/03/70/1075560370.db2.gz PFSBXUVBXCGPBW-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001579338561 1075560365 /nfs/dbraw/zinc/56/03/65/1075560365.db2.gz PFSBXUVBXCGPBW-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001579338561 1075560363 /nfs/dbraw/zinc/56/03/63/1075560363.db2.gz PFSBXUVBXCGPBW-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001579338561 1075560358 /nfs/dbraw/zinc/56/03/58/1075560358.db2.gz PFSBXUVBXCGPBW-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001579338619 1075560417 /nfs/dbraw/zinc/56/04/17/1075560417.db2.gz SACAXTLCXNPFBZ-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001579338619 1075560411 /nfs/dbraw/zinc/56/04/11/1075560411.db2.gz SACAXTLCXNPFBZ-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001579338619 1075560404 /nfs/dbraw/zinc/56/04/04/1075560404.db2.gz SACAXTLCXNPFBZ-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001579338620 1075560524 /nfs/dbraw/zinc/56/05/24/1075560524.db2.gz SACAXTLCXNPFBZ-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001579338620 1075560521 /nfs/dbraw/zinc/56/05/21/1075560521.db2.gz SACAXTLCXNPFBZ-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001579338620 1075560519 /nfs/dbraw/zinc/56/05/19/1075560519.db2.gz SACAXTLCXNPFBZ-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CC1=O ZINC001579338759 1075560502 /nfs/dbraw/zinc/56/05/02/1075560502.db2.gz VUJYDIMLRYISSY-GMTAPVOTSA-N 0 1 387.404 -1.809 20 0 GAADMN CN1CC[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CC1=O ZINC001579338760 1075560578 /nfs/dbraw/zinc/56/05/78/1075560578.db2.gz VUJYDIMLRYISSY-HBNTYKKESA-N 0 1 387.404 -1.809 20 0 GAADMN C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001579338880 1075560544 /nfs/dbraw/zinc/56/05/44/1075560544.db2.gz ZWKGLDLGGNGDRQ-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001579338880 1075560541 /nfs/dbraw/zinc/56/05/41/1075560541.db2.gz ZWKGLDLGGNGDRQ-CYBMUJFWSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001579338881 1075560468 /nfs/dbraw/zinc/56/04/68/1075560468.db2.gz ZWKGLDLGGNGDRQ-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001579338881 1075560464 /nfs/dbraw/zinc/56/04/64/1075560464.db2.gz ZWKGLDLGGNGDRQ-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN CN1CC[C@H](CC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579339224 1075560864 /nfs/dbraw/zinc/56/08/64/1075560864.db2.gz BUOTWTVMLPVRDM-LLVKDONJSA-N 0 1 389.420 -1.820 20 0 GAADMN CN1CC[C@@H](CC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579339225 1075560975 /nfs/dbraw/zinc/56/09/75/1075560975.db2.gz BUOTWTVMLPVRDM-NSHDSACASA-N 0 1 389.420 -1.820 20 0 GAADMN CN1CC[C@H](CC(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)C1=O ZINC001579339608 1075560871 /nfs/dbraw/zinc/56/08/71/1075560871.db2.gz KPMODMBEMOIYMI-GFCCVEGCSA-N 0 1 388.432 -1.215 20 0 GAADMN CN1CC[C@@H](CC(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)C1=O ZINC001579339609 1075560820 /nfs/dbraw/zinc/56/08/20/1075560820.db2.gz KPMODMBEMOIYMI-LBPRGKRZSA-N 0 1 388.432 -1.215 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001579339614 1075560915 /nfs/dbraw/zinc/56/09/15/1075560915.db2.gz KWYBZCVQUUZFKK-NEPJUHHUSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001579339614 1075560913 /nfs/dbraw/zinc/56/09/13/1075560913.db2.gz KWYBZCVQUUZFKK-NEPJUHHUSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001579339614 1075560911 /nfs/dbraw/zinc/56/09/11/1075560911.db2.gz KWYBZCVQUUZFKK-NEPJUHHUSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001579339615 1075560929 /nfs/dbraw/zinc/56/09/29/1075560929.db2.gz KWYBZCVQUUZFKK-NWDGAFQWSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001579339615 1075560925 /nfs/dbraw/zinc/56/09/25/1075560925.db2.gz KWYBZCVQUUZFKK-NWDGAFQWSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001579339615 1075560923 /nfs/dbraw/zinc/56/09/23/1075560923.db2.gz KWYBZCVQUUZFKK-NWDGAFQWSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001579339616 1075560853 /nfs/dbraw/zinc/56/08/53/1075560853.db2.gz KWYBZCVQUUZFKK-RYUDHWBXSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001579339616 1075560850 /nfs/dbraw/zinc/56/08/50/1075560850.db2.gz KWYBZCVQUUZFKK-RYUDHWBXSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001579339616 1075560847 /nfs/dbraw/zinc/56/08/47/1075560847.db2.gz KWYBZCVQUUZFKK-RYUDHWBXSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001579339617 1075560805 /nfs/dbraw/zinc/56/08/05/1075560805.db2.gz KWYBZCVQUUZFKK-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001579339617 1075560801 /nfs/dbraw/zinc/56/08/01/1075560801.db2.gz KWYBZCVQUUZFKK-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001579339617 1075560794 /nfs/dbraw/zinc/56/07/94/1075560794.db2.gz KWYBZCVQUUZFKK-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN CN1CC[C@H](CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579345066 1075563367 /nfs/dbraw/zinc/56/33/67/1075563367.db2.gz UBPDCAAQAWYGTR-NXEZZACHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579345067 1075563448 /nfs/dbraw/zinc/56/34/48/1075563448.db2.gz UBPDCAAQAWYGTR-UWVGGRQHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@@H](CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579345068 1075563399 /nfs/dbraw/zinc/56/33/99/1075563399.db2.gz UBPDCAAQAWYGTR-VHSXEESVSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@H](CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579345069 1075563271 /nfs/dbraw/zinc/56/32/71/1075563271.db2.gz UBPDCAAQAWYGTR-ZJUUUORDSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@H](CC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579345158 1075563775 /nfs/dbraw/zinc/56/37/75/1075563775.db2.gz JUSQFFVAEJKFOC-NXEZZACHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@@H](CC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579345159 1075563787 /nfs/dbraw/zinc/56/37/87/1075563787.db2.gz JUSQFFVAEJKFOC-UWVGGRQHSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@@H](CC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579345160 1075563797 /nfs/dbraw/zinc/56/37/97/1075563797.db2.gz JUSQFFVAEJKFOC-VHSXEESVSA-N 0 1 375.393 -2.164 20 0 GAADMN CN1CC[C@H](CC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579345161 1075563866 /nfs/dbraw/zinc/56/38/66/1075563866.db2.gz JUSQFFVAEJKFOC-ZJUUUORDSA-N 0 1 375.393 -2.164 20 0 GAADMN C[NH+]1CCC(CCO)(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001579347344 1075564684 /nfs/dbraw/zinc/56/46/84/1075564684.db2.gz CNHZJHSDYXIUIH-UHFFFAOYSA-N 0 1 392.420 -1.518 20 0 GAADMN CN1CC[C@@H](CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)C1=O ZINC001579347958 1075565078 /nfs/dbraw/zinc/56/50/78/1075565078.db2.gz RGWABUJDFBUQJK-AXFHLTTASA-N 0 1 387.404 -1.809 20 0 GAADMN CN1CC[C@H](CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)C1=O ZINC001579347959 1075565066 /nfs/dbraw/zinc/56/50/66/1075565066.db2.gz RGWABUJDFBUQJK-MXWKQRLJSA-N 0 1 387.404 -1.809 20 0 GAADMN C[NH+]1CCC(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)(N2CCOCC2)CC1 ZINC001579348300 1075565352 /nfs/dbraw/zinc/56/53/52/1075565352.db2.gz ZVFBEEAGZXHYPK-UHFFFAOYSA-N 0 1 390.452 -1.629 20 0 GAADMN C[NH+]1CCC(O)(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001579348556 1075565424 /nfs/dbraw/zinc/56/54/24/1075565424.db2.gz DJLADWOSOVDLRG-UHFFFAOYSA-N 0 1 378.393 -1.908 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001579348709 1075565385 /nfs/dbraw/zinc/56/53/85/1075565385.db2.gz GESSWHMONICLMX-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001579348709 1075565380 /nfs/dbraw/zinc/56/53/80/1075565380.db2.gz GESSWHMONICLMX-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001579348710 1075565449 /nfs/dbraw/zinc/56/54/49/1075565449.db2.gz GESSWHMONICLMX-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001579348710 1075565445 /nfs/dbraw/zinc/56/54/45/1075565445.db2.gz GESSWHMONICLMX-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001579348781 1075565567 /nfs/dbraw/zinc/56/55/67/1075565567.db2.gz HXLOLCSPQUEIPW-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001579348781 1075565561 /nfs/dbraw/zinc/56/55/61/1075565561.db2.gz HXLOLCSPQUEIPW-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001579348782 1075565502 /nfs/dbraw/zinc/56/55/02/1075565502.db2.gz HXLOLCSPQUEIPW-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001579348782 1075565496 /nfs/dbraw/zinc/56/54/96/1075565496.db2.gz HXLOLCSPQUEIPW-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001579349087 1075565963 /nfs/dbraw/zinc/56/59/63/1075565963.db2.gz KUSWMVVDGNTMHH-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001579349087 1075565957 /nfs/dbraw/zinc/56/59/57/1075565957.db2.gz KUSWMVVDGNTMHH-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001579349088 1075566086 /nfs/dbraw/zinc/56/60/86/1075566086.db2.gz KUSWMVVDGNTMHH-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001579349088 1075566082 /nfs/dbraw/zinc/56/60/82/1075566082.db2.gz KUSWMVVDGNTMHH-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[N@H+]1CCC[C@](O)(CC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001579349130 1075566014 /nfs/dbraw/zinc/56/60/14/1075566014.db2.gz AECYRWQNXMRMIL-INIZCTEOSA-N 0 1 390.404 -1.641 20 0 GAADMN C[N@@H+]1CCC[C@](O)(CC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001579349130 1075566011 /nfs/dbraw/zinc/56/60/11/1075566011.db2.gz AECYRWQNXMRMIL-INIZCTEOSA-N 0 1 390.404 -1.641 20 0 GAADMN C[N@H+]1CCC[C@](O)(CC(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)C1 ZINC001579349130 1075566007 /nfs/dbraw/zinc/56/60/07/1075566007.db2.gz AECYRWQNXMRMIL-INIZCTEOSA-N 0 1 390.404 -1.641 20 0 GAADMN C[N@H+]1CCC[C@@](O)(CC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001579349133 1075565793 /nfs/dbraw/zinc/56/57/93/1075565793.db2.gz AECYRWQNXMRMIL-MRXNPFEDSA-N 0 1 390.404 -1.641 20 0 GAADMN C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001579349133 1075565789 /nfs/dbraw/zinc/56/57/89/1075565789.db2.gz AECYRWQNXMRMIL-MRXNPFEDSA-N 0 1 390.404 -1.641 20 0 GAADMN C[N@H+]1CCC[C@@](O)(CC(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)C1 ZINC001579349133 1075565785 /nfs/dbraw/zinc/56/57/85/1075565785.db2.gz AECYRWQNXMRMIL-MRXNPFEDSA-N 0 1 390.404 -1.641 20 0 GAADMN CN1CCC[C@@H](N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349167 1075566071 /nfs/dbraw/zinc/56/60/71/1075566071.db2.gz AQEJBUYXQYKKRP-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H](N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349169 1075565841 /nfs/dbraw/zinc/56/58/41/1075565841.db2.gz AQEJBUYXQYKKRP-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H](N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349170 1075565915 /nfs/dbraw/zinc/56/59/15/1075565915.db2.gz AQEJBUYXQYKKRP-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H](N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349172 1075565877 /nfs/dbraw/zinc/56/58/77/1075565877.db2.gz AQEJBUYXQYKKRP-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001579349214 1075565889 /nfs/dbraw/zinc/56/58/89/1075565889.db2.gz LJJCJRSNLBLNHY-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001579349214 1075565886 /nfs/dbraw/zinc/56/58/86/1075565886.db2.gz LJJCJRSNLBLNHY-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001579349217 1075565812 /nfs/dbraw/zinc/56/58/12/1075565812.db2.gz LJJCJRSNLBLNHY-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001579349217 1075565810 /nfs/dbraw/zinc/56/58/10/1075565810.db2.gz LJJCJRSNLBLNHY-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001579349585 1075566431 /nfs/dbraw/zinc/56/64/31/1075566431.db2.gz QJRVYXQQFMGJAZ-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001579349585 1075566430 /nfs/dbraw/zinc/56/64/30/1075566430.db2.gz QJRVYXQQFMGJAZ-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001579349586 1075566394 /nfs/dbraw/zinc/56/63/94/1075566394.db2.gz QJRVYXQQFMGJAZ-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001579349586 1075566392 /nfs/dbraw/zinc/56/63/92/1075566392.db2.gz QJRVYXQQFMGJAZ-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001579349622 1075566428 /nfs/dbraw/zinc/56/64/28/1075566428.db2.gz REIABKOVDFRLFS-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001579349622 1075566427 /nfs/dbraw/zinc/56/64/27/1075566427.db2.gz REIABKOVDFRLFS-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001579349624 1075566399 /nfs/dbraw/zinc/56/63/99/1075566399.db2.gz REIABKOVDFRLFS-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001579349624 1075566397 /nfs/dbraw/zinc/56/63/97/1075566397.db2.gz REIABKOVDFRLFS-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(N(CCO)C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001579349627 1075566308 /nfs/dbraw/zinc/56/63/08/1075566308.db2.gz RGKYJCMIBRHLMU-UHFFFAOYSA-N 0 1 378.393 -1.956 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579349834 1075566300 /nfs/dbraw/zinc/56/63/00/1075566300.db2.gz UHJBXGYCLBZCPX-LLVKDONJSA-N 0 1 391.436 -1.922 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579349835 1075566420 /nfs/dbraw/zinc/56/64/20/1075566420.db2.gz UHJBXGYCLBZCPX-NSHDSACASA-N 0 1 391.436 -1.922 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001579349907 1075566388 /nfs/dbraw/zinc/56/63/88/1075566388.db2.gz VDLPWTKLCAPEDP-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001579349907 1075566385 /nfs/dbraw/zinc/56/63/85/1075566385.db2.gz VDLPWTKLCAPEDP-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001579349909 1075566374 /nfs/dbraw/zinc/56/63/74/1075566374.db2.gz VDLPWTKLCAPEDP-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001579349909 1075566372 /nfs/dbraw/zinc/56/63/72/1075566372.db2.gz VDLPWTKLCAPEDP-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579350309 1075566772 /nfs/dbraw/zinc/56/67/72/1075566772.db2.gz ZIQXDJKLQLESSG-LLVKDONJSA-N 0 1 391.436 -1.922 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579350312 1075566648 /nfs/dbraw/zinc/56/66/48/1075566648.db2.gz ZIQXDJKLQLESSG-NSHDSACASA-N 0 1 391.436 -1.922 20 0 GAADMN CN1CCC[C@@H](N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579350592 1075566729 /nfs/dbraw/zinc/56/67/29/1075566729.db2.gz GEPXKYKMRDXMJR-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H](N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579350593 1075566744 /nfs/dbraw/zinc/56/67/44/1075566744.db2.gz GEPXKYKMRDXMJR-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H](N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579350594 1075566760 /nfs/dbraw/zinc/56/67/60/1075566760.db2.gz GEPXKYKMRDXMJR-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H](N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579350595 1075566861 /nfs/dbraw/zinc/56/68/61/1075566861.db2.gz GEPXKYKMRDXMJR-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN C[N@H+]1CCC[C@](O)(CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001579350658 1075567049 /nfs/dbraw/zinc/56/70/49/1075567049.db2.gz HLTTURUDRIVWEX-HNNXBMFYSA-N 0 1 378.393 -1.908 20 0 GAADMN C[N@@H+]1CCC[C@](O)(CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001579350658 1075567045 /nfs/dbraw/zinc/56/70/45/1075567045.db2.gz HLTTURUDRIVWEX-HNNXBMFYSA-N 0 1 378.393 -1.908 20 0 GAADMN C[N@H+]1CCC[C@](O)(CC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001579350658 1075567040 /nfs/dbraw/zinc/56/70/40/1075567040.db2.gz HLTTURUDRIVWEX-HNNXBMFYSA-N 0 1 378.393 -1.908 20 0 GAADMN C[N@H+]1CCC[C@@](O)(CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001579350659 1075567109 /nfs/dbraw/zinc/56/71/09/1075567109.db2.gz HLTTURUDRIVWEX-OAHLLOKOSA-N 0 1 378.393 -1.908 20 0 GAADMN C[N@@H+]1CCC[C@@](O)(CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001579350659 1075567107 /nfs/dbraw/zinc/56/71/07/1075567107.db2.gz HLTTURUDRIVWEX-OAHLLOKOSA-N 0 1 378.393 -1.908 20 0 GAADMN C[N@H+]1CCC[C@@](O)(CC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001579350659 1075567105 /nfs/dbraw/zinc/56/71/05/1075567105.db2.gz HLTTURUDRIVWEX-OAHLLOKOSA-N 0 1 378.393 -1.908 20 0 GAADMN CN1CCC[C@@H](N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579351067 1075567133 /nfs/dbraw/zinc/56/71/33/1075567133.db2.gz MXFJQOSZSDLPFI-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H](N2CC[C@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579351068 1075567173 /nfs/dbraw/zinc/56/71/73/1075567173.db2.gz MXFJQOSZSDLPFI-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H](N2CC[C@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579351069 1075567015 /nfs/dbraw/zinc/56/70/15/1075567015.db2.gz MXFJQOSZSDLPFI-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H](N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579351070 1075567164 /nfs/dbraw/zinc/56/71/64/1075567164.db2.gz MXFJQOSZSDLPFI-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579352850 1075567146 /nfs/dbraw/zinc/56/71/46/1075567146.db2.gz ABLXQZHROZDVTJ-CYBMUJFWSA-N 0 1 376.421 -1.160 20 0 GAADMN CN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579352851 1075567181 /nfs/dbraw/zinc/56/71/81/1075567181.db2.gz ABLXQZHROZDVTJ-ZDUSSCGKSA-N 0 1 376.421 -1.160 20 0 GAADMN CN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579353170 1075567158 /nfs/dbraw/zinc/56/71/58/1075567158.db2.gz FPUWCCWGZTYWHB-CYBMUJFWSA-N 0 1 376.421 -1.160 20 0 GAADMN CN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579353171 1075567096 /nfs/dbraw/zinc/56/70/96/1075567096.db2.gz FPUWCCWGZTYWHB-ZDUSSCGKSA-N 0 1 376.421 -1.160 20 0 GAADMN CN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579353204 1075567120 /nfs/dbraw/zinc/56/71/20/1075567120.db2.gz GEHYCYJJIOWBCC-CYBMUJFWSA-N 0 1 376.421 -1.160 20 0 GAADMN CN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579353205 1075567533 /nfs/dbraw/zinc/56/75/33/1075567533.db2.gz GEHYCYJJIOWBCC-ZDUSSCGKSA-N 0 1 376.421 -1.160 20 0 GAADMN C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001579353332 1075567462 /nfs/dbraw/zinc/56/74/62/1075567462.db2.gz JGALZEICVJIZBD-SJCJKPOMSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001579353332 1075567461 /nfs/dbraw/zinc/56/74/61/1075567461.db2.gz JGALZEICVJIZBD-SJCJKPOMSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579353332 1075567458 /nfs/dbraw/zinc/56/74/58/1075567458.db2.gz JGALZEICVJIZBD-SJCJKPOMSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001579353333 1075567597 /nfs/dbraw/zinc/56/75/97/1075567597.db2.gz JGALZEICVJIZBD-YVEFUNNKSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001579353333 1075567592 /nfs/dbraw/zinc/56/75/92/1075567592.db2.gz JGALZEICVJIZBD-YVEFUNNKSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001579353333 1075567588 /nfs/dbraw/zinc/56/75/88/1075567588.db2.gz JGALZEICVJIZBD-YVEFUNNKSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579353435 1075567485 /nfs/dbraw/zinc/56/74/85/1075567485.db2.gz LXDLEHRRAZOVOZ-LBPRGKRZSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579353435 1075567482 /nfs/dbraw/zinc/56/74/82/1075567482.db2.gz LXDLEHRRAZOVOZ-LBPRGKRZSA-N 0 1 387.448 -1.062 20 0 GAADMN C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001579353435 1075567479 /nfs/dbraw/zinc/56/74/79/1075567479.db2.gz LXDLEHRRAZOVOZ-LBPRGKRZSA-N 0 1 387.448 -1.062 20 0 GAADMN CN1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579353610 1075567415 /nfs/dbraw/zinc/56/74/15/1075567415.db2.gz QBTYZSCAMKESJN-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579353611 1075567547 /nfs/dbraw/zinc/56/75/47/1075567547.db2.gz QBTYZSCAMKESJN-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579353612 1075567640 /nfs/dbraw/zinc/56/76/40/1075567640.db2.gz QBTYZSCAMKESJN-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579353613 1075567559 /nfs/dbraw/zinc/56/75/59/1075567559.db2.gz QBTYZSCAMKESJN-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579353937 1075567437 /nfs/dbraw/zinc/56/74/37/1075567437.db2.gz XEESIHGLNOZLAC-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579353938 1075567520 /nfs/dbraw/zinc/56/75/20/1075567520.db2.gz XEESIHGLNOZLAC-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579353939 1075567453 /nfs/dbraw/zinc/56/74/53/1075567453.db2.gz XEESIHGLNOZLAC-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579353940 1075567623 /nfs/dbraw/zinc/56/76/23/1075567623.db2.gz XEESIHGLNOZLAC-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579353943 1075567573 /nfs/dbraw/zinc/56/75/73/1075567573.db2.gz XFSWCBRHANFRPR-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579353944 1075567512 /nfs/dbraw/zinc/56/75/12/1075567512.db2.gz XFSWCBRHANFRPR-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579353945 1075567427 /nfs/dbraw/zinc/56/74/27/1075567427.db2.gz XFSWCBRHANFRPR-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579353946 1075567656 /nfs/dbraw/zinc/56/76/56/1075567656.db2.gz XFSWCBRHANFRPR-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579354740 1075567897 /nfs/dbraw/zinc/56/78/97/1075567897.db2.gz BHCWTARJEXISJJ-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579354746 1075567924 /nfs/dbraw/zinc/56/79/24/1075567924.db2.gz BHCWTARJEXISJJ-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579355045 1075568024 /nfs/dbraw/zinc/56/80/24/1075568024.db2.gz CGFHWRGHOAZUHS-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579355046 1075567995 /nfs/dbraw/zinc/56/79/95/1075567995.db2.gz CGFHWRGHOAZUHS-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN Cn1c(=O)[nH]c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(-c2nnn[n-]2)c1=O ZINC001579355606 1075567836 /nfs/dbraw/zinc/56/78/36/1075567836.db2.gz FRYXUVUMDIKKKR-JTQLQIEISA-N 0 1 389.420 -2.004 20 0 GAADMN Cn1c(=O)[nH]c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(-c2nnn[n-]2)c1=O ZINC001579355610 1075567876 /nfs/dbraw/zinc/56/78/76/1075567876.db2.gz FRYXUVUMDIKKKR-SNVBAGLBSA-N 0 1 389.420 -2.004 20 0 GAADMN CN1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579356010 1075567917 /nfs/dbraw/zinc/56/79/17/1075567917.db2.gz HUPOCGFSHRSSQU-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579356011 1075567854 /nfs/dbraw/zinc/56/78/54/1075567854.db2.gz HUPOCGFSHRSSQU-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579358340 1075567825 /nfs/dbraw/zinc/56/78/25/1075567825.db2.gz CGDDTWDHIHUXNW-CYBMUJFWSA-N 0 1 386.464 -1.011 20 0 GAADMN C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579358340 1075567824 /nfs/dbraw/zinc/56/78/24/1075567824.db2.gz CGDDTWDHIHUXNW-CYBMUJFWSA-N 0 1 386.464 -1.011 20 0 GAADMN C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001579358340 1075567823 /nfs/dbraw/zinc/56/78/23/1075567823.db2.gz CGDDTWDHIHUXNW-CYBMUJFWSA-N 0 1 386.464 -1.011 20 0 GAADMN C[N@H+]1CCC[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579358341 1075567831 /nfs/dbraw/zinc/56/78/31/1075567831.db2.gz CGDDTWDHIHUXNW-ZDUSSCGKSA-N 0 1 386.464 -1.011 20 0 GAADMN C[N@@H+]1CCC[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001579358341 1075567830 /nfs/dbraw/zinc/56/78/30/1075567830.db2.gz CGDDTWDHIHUXNW-ZDUSSCGKSA-N 0 1 386.464 -1.011 20 0 GAADMN C[N@H+]1CCC[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001579358341 1075567829 /nfs/dbraw/zinc/56/78/29/1075567829.db2.gz CGDDTWDHIHUXNW-ZDUSSCGKSA-N 0 1 386.464 -1.011 20 0 GAADMN CN1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579359168 1075568430 /nfs/dbraw/zinc/56/84/30/1075568430.db2.gz PMAGUABWZDZRPO-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579359169 1075568444 /nfs/dbraw/zinc/56/84/44/1075568444.db2.gz PMAGUABWZDZRPO-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579359170 1075568354 /nfs/dbraw/zinc/56/83/54/1075568354.db2.gz PMAGUABWZDZRPO-GUYCJALGSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579359171 1075568344 /nfs/dbraw/zinc/56/83/44/1075568344.db2.gz PMAGUABWZDZRPO-SUMWQHHRSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579360302 1075568421 /nfs/dbraw/zinc/56/84/21/1075568421.db2.gz CKVOJEMSQNXDLO-GHMZBOCLSA-N 0 1 389.420 -1.774 20 0 GAADMN CN1CCCC[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579360303 1075568324 /nfs/dbraw/zinc/56/83/24/1075568324.db2.gz CKVOJEMSQNXDLO-MNOVXSKESA-N 0 1 389.420 -1.774 20 0 GAADMN CN1CCCC[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579360467 1075568298 /nfs/dbraw/zinc/56/82/98/1075568298.db2.gz CKVOJEMSQNXDLO-QWRGUYRKSA-N 0 1 389.420 -1.774 20 0 GAADMN CN1CCCC[C@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579360469 1075568377 /nfs/dbraw/zinc/56/83/77/1075568377.db2.gz CKVOJEMSQNXDLO-WDEREUQCSA-N 0 1 389.420 -1.774 20 0 GAADMN CN1CCCC[C@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579360811 1075568310 /nfs/dbraw/zinc/56/83/10/1075568310.db2.gz HLVHLKJXXYRFDB-GHMZBOCLSA-N 0 1 389.420 -1.774 20 0 GAADMN CN1CCCC[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579360813 1075568366 /nfs/dbraw/zinc/56/83/66/1075568366.db2.gz HLVHLKJXXYRFDB-MNOVXSKESA-N 0 1 389.420 -1.774 20 0 GAADMN CN1CCCC[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579360815 1075568284 /nfs/dbraw/zinc/56/82/84/1075568284.db2.gz HLVHLKJXXYRFDB-QWRGUYRKSA-N 0 1 389.420 -1.774 20 0 GAADMN CN1CCCC[C@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001579360817 1075568468 /nfs/dbraw/zinc/56/84/68/1075568468.db2.gz HLVHLKJXXYRFDB-WDEREUQCSA-N 0 1 389.420 -1.774 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579361175 1075568781 /nfs/dbraw/zinc/56/87/81/1075568781.db2.gz IQYYNUUYMRGBTD-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579361176 1075568759 /nfs/dbraw/zinc/56/87/59/1075568759.db2.gz IQYYNUUYMRGBTD-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579361181 1075568798 /nfs/dbraw/zinc/56/87/98/1075568798.db2.gz ISJCVLBUBPNPJR-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579361181 1075568795 /nfs/dbraw/zinc/56/87/95/1075568795.db2.gz ISJCVLBUBPNPJR-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579361181 1075568790 /nfs/dbraw/zinc/56/87/90/1075568790.db2.gz ISJCVLBUBPNPJR-NEPJUHHUSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579361182 1075568914 /nfs/dbraw/zinc/56/89/14/1075568914.db2.gz ISJCVLBUBPNPJR-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579361182 1075568911 /nfs/dbraw/zinc/56/89/11/1075568911.db2.gz ISJCVLBUBPNPJR-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579361182 1075568907 /nfs/dbraw/zinc/56/89/07/1075568907.db2.gz ISJCVLBUBPNPJR-NWDGAFQWSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579361183 1075568683 /nfs/dbraw/zinc/56/86/83/1075568683.db2.gz ISJCVLBUBPNPJR-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579361183 1075568678 /nfs/dbraw/zinc/56/86/78/1075568678.db2.gz ISJCVLBUBPNPJR-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579361183 1075568673 /nfs/dbraw/zinc/56/86/73/1075568673.db2.gz ISJCVLBUBPNPJR-RYUDHWBXSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579361184 1075568837 /nfs/dbraw/zinc/56/88/37/1075568837.db2.gz ISJCVLBUBPNPJR-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579361184 1075568835 /nfs/dbraw/zinc/56/88/35/1075568835.db2.gz ISJCVLBUBPNPJR-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001579361184 1075568832 /nfs/dbraw/zinc/56/88/32/1075568832.db2.gz ISJCVLBUBPNPJR-VXGBXAGGSA-N 0 1 375.437 -1.158 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579362183 1075568902 /nfs/dbraw/zinc/56/89/02/1075568902.db2.gz PWFSDZXDNOYDHZ-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579362184 1075568642 /nfs/dbraw/zinc/56/86/42/1075568642.db2.gz PWFSDZXDNOYDHZ-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579362185 1075568770 /nfs/dbraw/zinc/56/87/70/1075568770.db2.gz PYYRPSSNGKOODP-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579362187 1075568892 /nfs/dbraw/zinc/56/88/92/1075568892.db2.gz PYYRPSSNGKOODP-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001579363036 1075568856 /nfs/dbraw/zinc/56/88/56/1075568856.db2.gz WAVJJYQNFMARNK-GFCCVEGCSA-N 0 1 375.437 -1.204 20 0 GAADMN C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001579363036 1075568855 /nfs/dbraw/zinc/56/88/55/1075568855.db2.gz WAVJJYQNFMARNK-GFCCVEGCSA-N 0 1 375.437 -1.204 20 0 GAADMN C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001579363036 1075568854 /nfs/dbraw/zinc/56/88/54/1075568854.db2.gz WAVJJYQNFMARNK-GFCCVEGCSA-N 0 1 375.437 -1.204 20 0 GAADMN C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001579363037 1075568871 /nfs/dbraw/zinc/56/88/71/1075568871.db2.gz WAVJJYQNFMARNK-LBPRGKRZSA-N 0 1 375.437 -1.204 20 0 GAADMN C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001579363037 1075568868 /nfs/dbraw/zinc/56/88/68/1075568868.db2.gz WAVJJYQNFMARNK-LBPRGKRZSA-N 0 1 375.437 -1.204 20 0 GAADMN C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001579363037 1075568866 /nfs/dbraw/zinc/56/88/66/1075568866.db2.gz WAVJJYQNFMARNK-LBPRGKRZSA-N 0 1 375.437 -1.204 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579365108 1075568816 /nfs/dbraw/zinc/56/88/16/1075568816.db2.gz BVBHIKAFOYVNLM-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579365109 1075568746 /nfs/dbraw/zinc/56/87/46/1075568746.db2.gz BVBHIKAFOYVNLM-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365147 1075568826 /nfs/dbraw/zinc/56/88/26/1075568826.db2.gz CKQWCQQMWSUHQV-GWCFXTLKSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365176 1075568850 /nfs/dbraw/zinc/56/88/50/1075568850.db2.gz CKQWCQQMWSUHQV-GXFFZTMASA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365177 1075568714 /nfs/dbraw/zinc/56/87/14/1075568714.db2.gz CKQWCQQMWSUHQV-MFKMUULPSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365178 1075568933 /nfs/dbraw/zinc/56/89/33/1075568933.db2.gz CKQWCQQMWSUHQV-ZWNOBZJWSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365458 1075569223 /nfs/dbraw/zinc/56/92/23/1075569223.db2.gz HSMJDAOYWCTPIB-GWCFXTLKSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365459 1075569119 /nfs/dbraw/zinc/56/91/19/1075569119.db2.gz HSMJDAOYWCTPIB-GXFFZTMASA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365460 1075569194 /nfs/dbraw/zinc/56/91/94/1075569194.db2.gz HSMJDAOYWCTPIB-MFKMUULPSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365461 1075569168 /nfs/dbraw/zinc/56/91/68/1075569168.db2.gz HSMJDAOYWCTPIB-ZWNOBZJWSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579365578 1075569257 /nfs/dbraw/zinc/56/92/57/1075569257.db2.gz ICQRQZBZENPUAY-AAEUAGOBSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579365579 1075569268 /nfs/dbraw/zinc/56/92/68/1075569268.db2.gz ICQRQZBZENPUAY-DGCLKSJQSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579365580 1075569290 /nfs/dbraw/zinc/56/92/90/1075569290.db2.gz ICQRQZBZENPUAY-WCQYABFASA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579365581 1075569189 /nfs/dbraw/zinc/56/91/89/1075569189.db2.gz ICQRQZBZENPUAY-YPMHNXCESA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365633 1075569203 /nfs/dbraw/zinc/56/92/03/1075569203.db2.gz JHEAHKOWBAJXIJ-GWCFXTLKSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365634 1075569176 /nfs/dbraw/zinc/56/91/76/1075569176.db2.gz JHEAHKOWBAJXIJ-GXFFZTMASA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365635 1075569131 /nfs/dbraw/zinc/56/91/31/1075569131.db2.gz JHEAHKOWBAJXIJ-MFKMUULPSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579365636 1075569279 /nfs/dbraw/zinc/56/92/79/1075569279.db2.gz JHEAHKOWBAJXIJ-ZWNOBZJWSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579365786 1075569208 /nfs/dbraw/zinc/56/92/08/1075569208.db2.gz KPRWIYQXRNSOCL-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579365787 1075569159 /nfs/dbraw/zinc/56/91/59/1075569159.db2.gz KPRWIYQXRNSOCL-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579365959 1075569198 /nfs/dbraw/zinc/56/91/98/1075569198.db2.gz MICIPWCWKLDDHK-CYBMUJFWSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579365960 1075569146 /nfs/dbraw/zinc/56/91/46/1075569146.db2.gz MICIPWCWKLDDHK-ZDUSSCGKSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579366130 1075569242 /nfs/dbraw/zinc/56/92/42/1075569242.db2.gz NVSCNRZALKHRIR-AAEUAGOBSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579366131 1075569216 /nfs/dbraw/zinc/56/92/16/1075569216.db2.gz NVSCNRZALKHRIR-DGCLKSJQSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579366132 1075569183 /nfs/dbraw/zinc/56/91/83/1075569183.db2.gz NVSCNRZALKHRIR-WCQYABFASA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579366133 1075569233 /nfs/dbraw/zinc/56/92/33/1075569233.db2.gz NVSCNRZALKHRIR-YPMHNXCESA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579366218 1075569609 /nfs/dbraw/zinc/56/96/09/1075569609.db2.gz PXRFEPBGKNUOEX-HZSPNIEDSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001579366219 1075569709 /nfs/dbraw/zinc/56/97/09/1075569709.db2.gz PXRFEPBGKNUOEX-MCIONIFRSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579366220 1075569542 /nfs/dbraw/zinc/56/95/42/1075569542.db2.gz PXRFEPBGKNUOEX-MGPQQGTHSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366312 1075569588 /nfs/dbraw/zinc/56/95/88/1075569588.db2.gz RTXKSXQHCAQMKP-AAEUAGOBSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366313 1075569726 /nfs/dbraw/zinc/56/97/26/1075569726.db2.gz RTXKSXQHCAQMKP-DGCLKSJQSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366314 1075569702 /nfs/dbraw/zinc/56/97/02/1075569702.db2.gz RTXKSXQHCAQMKP-WCQYABFASA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366315 1075569716 /nfs/dbraw/zinc/56/97/16/1075569716.db2.gz RTXKSXQHCAQMKP-YPMHNXCESA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366336 1075569660 /nfs/dbraw/zinc/56/96/60/1075569660.db2.gz SGZBOUXIKWXWMB-AAEUAGOBSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366337 1075569619 /nfs/dbraw/zinc/56/96/19/1075569619.db2.gz SGZBOUXIKWXWMB-DGCLKSJQSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366338 1075569629 /nfs/dbraw/zinc/56/96/29/1075569629.db2.gz SGZBOUXIKWXWMB-WCQYABFASA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366339 1075569645 /nfs/dbraw/zinc/56/96/45/1075569645.db2.gz SGZBOUXIKWXWMB-YPMHNXCESA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579366362 1075569598 /nfs/dbraw/zinc/56/95/98/1075569598.db2.gz SWEFYNKKWRYNIM-HZSPNIEDSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001579366363 1075569677 /nfs/dbraw/zinc/56/96/77/1075569677.db2.gz SWEFYNKKWRYNIM-MCIONIFRSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579366364 1075569636 /nfs/dbraw/zinc/56/96/36/1075569636.db2.gz SWEFYNKKWRYNIM-MGPQQGTHSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001579366365 1075569689 /nfs/dbraw/zinc/56/96/89/1075569689.db2.gz SWEFYNKKWRYNIM-RDBSUJKOSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579366529 1075569653 /nfs/dbraw/zinc/56/96/53/1075569653.db2.gz XUUYICHMTQJNHY-HZSPNIEDSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579366530 1075569696 /nfs/dbraw/zinc/56/96/96/1075569696.db2.gz XUUYICHMTQJNHY-MGPQQGTHSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366593 1075569557 /nfs/dbraw/zinc/56/95/57/1075569557.db2.gz ZFPRZXBXDGRXNL-AAEUAGOBSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366594 1075569669 /nfs/dbraw/zinc/56/96/69/1075569669.db2.gz ZFPRZXBXDGRXNL-DGCLKSJQSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366595 1075569573 /nfs/dbraw/zinc/56/95/73/1075569573.db2.gz ZFPRZXBXDGRXNL-WCQYABFASA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579366596 1075569998 /nfs/dbraw/zinc/56/99/98/1075569998.db2.gz ZFPRZXBXDGRXNL-YPMHNXCESA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579367375 1075570126 /nfs/dbraw/zinc/57/01/26/1075570126.db2.gz STROUGODKTYNRI-AAEUAGOBSA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579367378 1075570148 /nfs/dbraw/zinc/57/01/48/1075570148.db2.gz STROUGODKTYNRI-YPMHNXCESA-N 0 1 376.421 -1.114 20 0 GAADMN CN1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001579367548 1075570037 /nfs/dbraw/zinc/57/00/37/1075570037.db2.gz XUUYICHMTQJNHY-RDBSUJKOSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001579368621 1075570008 /nfs/dbraw/zinc/57/00/08/1075570008.db2.gz CIVOXLOXHUZKHT-MCIONIFRSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001579368622 1075570137 /nfs/dbraw/zinc/57/01/37/1075570137.db2.gz CIVOXLOXHUZKHT-RDBSUJKOSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001579368728 1075570078 /nfs/dbraw/zinc/57/00/78/1075570078.db2.gz HBTADDHIUWLSRZ-HZSPNIEDSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579368729 1075569960 /nfs/dbraw/zinc/56/99/60/1075569960.db2.gz HBTADDHIUWLSRZ-MCIONIFRSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001579368730 1075570091 /nfs/dbraw/zinc/57/00/91/1075570091.db2.gz HBTADDHIUWLSRZ-MGPQQGTHSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579368731 1075570052 /nfs/dbraw/zinc/57/00/52/1075570052.db2.gz HBTADDHIUWLSRZ-RDBSUJKOSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001579368860 1075570024 /nfs/dbraw/zinc/57/00/24/1075570024.db2.gz MCSKSQANVJLZRG-MCIONIFRSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001579368861 1075569950 /nfs/dbraw/zinc/56/99/50/1075569950.db2.gz MCSKSQANVJLZRG-RDBSUJKOSA-N 0 1 388.432 -1.019 20 0 GAADMN CN1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579372270 1075570114 /nfs/dbraw/zinc/57/01/14/1075570114.db2.gz MLRVRNWNDQFNBF-CXAGYDPISA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579372271 1075569926 /nfs/dbraw/zinc/56/99/26/1075569926.db2.gz MLRVRNWNDQFNBF-DYVFJYSZSA-N 0 1 388.432 -1.018 20 0 GAADMN CN1CCN(CC(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)CC1=O ZINC001579374530 1075570430 /nfs/dbraw/zinc/57/04/30/1075570430.db2.gz BHGWTDNAHLDLFZ-LLVKDONJSA-N 0 1 389.420 -2.653 20 0 GAADMN CN1CCN(CC(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)CC1=O ZINC001579374531 1075570393 /nfs/dbraw/zinc/57/03/93/1075570393.db2.gz BHGWTDNAHLDLFZ-NSHDSACASA-N 0 1 389.420 -2.653 20 0 GAADMN CN1CCN(CC(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1=O ZINC001579374532 1075570422 /nfs/dbraw/zinc/57/04/22/1075570422.db2.gz BLIITOYVVCZRNW-UHFFFAOYSA-N 0 1 386.420 -1.921 20 0 GAADMN CN1CC[NH+](C2CCN(C(=O)NCCn3cnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001579374539 1075570404 /nfs/dbraw/zinc/57/04/04/1075570404.db2.gz BQYZSTRKNGFUIH-UHFFFAOYSA-N 0 1 389.468 -1.120 20 0 GAADMN CN1CCN(CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1=O ZINC001579374553 1075570398 /nfs/dbraw/zinc/57/03/98/1075570398.db2.gz CJKJFSPXENDJQT-LBPRGKRZSA-N 0 1 385.432 -1.530 20 0 GAADMN CN1CCN(CC(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)CC1=O ZINC001579374562 1075570416 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CNC(=O)CN1CC[C@H](N2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001579396588 1075586278 /nfs/dbraw/zinc/58/62/78/1075586278.db2.gz LJRARUGLLZRHOJ-LBPRGKRZSA-N 0 1 387.448 -1.227 20 0 GAADMN CNC(=O)C[N@H+]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC001579396607 1075586326 /nfs/dbraw/zinc/58/63/26/1075586326.db2.gz MIACLBIFLSZXKF-UHFFFAOYSA-N 0 1 377.409 -2.478 20 0 GAADMN CNC(=O)C[N@@H+]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC001579396607 1075586322 /nfs/dbraw/zinc/58/63/22/1075586322.db2.gz MIACLBIFLSZXKF-UHFFFAOYSA-N 0 1 377.409 -2.478 20 0 GAADMN CNC(=O)CN1CCCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001579396816 1075586233 /nfs/dbraw/zinc/58/62/33/1075586233.db2.gz ULLHJOPHEYMLFB-UHFFFAOYSA-N 0 1 380.434 -1.296 20 0 GAADMN CNC(=O)NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001579397531 1075586623 /nfs/dbraw/zinc/58/66/23/1075586623.db2.gz ARBCTTUMMQQIIQ-RTCCRHLQSA-N 0 1 387.404 -1.442 20 0 GAADMN CNC(=O)NC(=O)CN1CC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397584 1075587241 /nfs/dbraw/zinc/58/72/41/1075587241.db2.gz CBANBOKSVMIHFA-SECBINFHSA-N 0 1 375.393 -1.298 20 0 GAADMN CNC(=O)NC(=O)CN1CC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397585 1075587024 /nfs/dbraw/zinc/58/70/24/1075587024.db2.gz CBANBOKSVMIHFA-VIFPVBQESA-N 0 1 375.393 -1.298 20 0 GAADMN CNC(=O)NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001579397767 1075587985 /nfs/dbraw/zinc/58/79/85/1075587985.db2.gz HQUQPRJKUAKCQB-RTCCRHLQSA-N 0 1 387.404 -1.442 20 0 GAADMN CNC(=O)NC(=O)CN1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001579397813 1075588043 /nfs/dbraw/zinc/58/80/43/1075588043.db2.gz ILKTYDXQUOTQNC-MWLCHTKSSA-N 0 1 389.420 -1.052 20 0 GAADMN CNC(=O)NC(=O)CN1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001579397915 1075588344 /nfs/dbraw/zinc/58/83/44/1075588344.db2.gz KLSZLNRCOCWCSW-NXEZZACHSA-N 0 1 389.420 -1.052 20 0 GAADMN CNC(=O)NC(=O)CN1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397956 1075588290 /nfs/dbraw/zinc/58/82/90/1075588290.db2.gz LWSVWOAFEYPNPI-SECBINFHSA-N 0 1 375.393 -1.298 20 0 GAADMN CNC(=O)NC(=O)CN1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397957 1075588406 /nfs/dbraw/zinc/58/84/06/1075588406.db2.gz LWSVWOAFEYPNPI-VIFPVBQESA-N 0 1 375.393 -1.298 20 0 GAADMN CNC(=O)NC(=O)CN1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001579398109 1075588907 /nfs/dbraw/zinc/58/89/07/1075588907.db2.gz NRVSYJCOOWYXIN-MWLCHTKSSA-N 0 1 389.420 -1.052 20 0 GAADMN CNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001579400626 1075590730 /nfs/dbraw/zinc/59/07/30/1075590730.db2.gz APBUBMHIVQQZBU-PHIMTYICSA-N 0 1 387.404 -1.346 20 0 GAADMN CNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1 ZINC001579400860 1075591033 /nfs/dbraw/zinc/59/10/33/1075591033.db2.gz HQHJYXOUODSADL-AOOOYVTPSA-N 0 1 387.404 -1.346 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579401940 1075592527 /nfs/dbraw/zinc/59/25/27/1075592527.db2.gz AMBFHCBOKNRYBZ-LLVKDONJSA-N 0 1 391.436 -1.245 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579401941 1075592382 /nfs/dbraw/zinc/59/23/82/1075592382.db2.gz AMBFHCBOKNRYBZ-NSHDSACASA-N 0 1 391.436 -1.245 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001579401971 1075592394 /nfs/dbraw/zinc/59/23/94/1075592394.db2.gz BKFGDCAXQSFDQD-SECBINFHSA-N 0 1 382.450 -1.234 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579401971 1075592390 /nfs/dbraw/zinc/59/23/90/1075592390.db2.gz BKFGDCAXQSFDQD-SECBINFHSA-N 0 1 382.450 -1.234 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001579401972 1075592477 /nfs/dbraw/zinc/59/24/77/1075592477.db2.gz BKFGDCAXQSFDQD-VIFPVBQESA-N 0 1 382.450 -1.234 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579401972 1075592472 /nfs/dbraw/zinc/59/24/72/1075592472.db2.gz BKFGDCAXQSFDQD-VIFPVBQESA-N 0 1 382.450 -1.234 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001579402763 1075593192 /nfs/dbraw/zinc/59/31/92/1075593192.db2.gz OZMRPPRHWAWJNC-JTQLQIEISA-N 0 1 377.409 -1.554 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001579402764 1075593090 /nfs/dbraw/zinc/59/30/90/1075593090.db2.gz OZMRPPRHWAWJNC-SNVBAGLBSA-N 0 1 377.409 -1.554 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579403118 1075593634 /nfs/dbraw/zinc/59/36/34/1075593634.db2.gz VITRBRBAAORTRE-SECBINFHSA-N 0 1 378.397 -2.159 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579403119 1075593641 /nfs/dbraw/zinc/59/36/41/1075593641.db2.gz VITRBRBAAORTRE-VIFPVBQESA-N 0 1 378.397 -2.159 20 0 GAADMN CNC(=O)NCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001579403252 1075593646 /nfs/dbraw/zinc/59/36/46/1075593646.db2.gz HQESCRQCRPQUPH-GHMZBOCLSA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001579403253 1075593628 /nfs/dbraw/zinc/59/36/28/1075593628.db2.gz HQESCRQCRPQUPH-MNOVXSKESA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001579403254 1075593570 /nfs/dbraw/zinc/59/35/70/1075593570.db2.gz HQESCRQCRPQUPH-QWRGUYRKSA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001579403255 1075593612 /nfs/dbraw/zinc/59/36/12/1075593612.db2.gz HQESCRQCRPQUPH-WDEREUQCSA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579403296 1075593966 /nfs/dbraw/zinc/59/39/66/1075593966.db2.gz ZCZGGPDUUFUFPC-JTQLQIEISA-N 0 1 377.409 -1.848 20 0 GAADMN CNC(=O)NCC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579403299 1075593888 /nfs/dbraw/zinc/59/38/88/1075593888.db2.gz ZCZGGPDUUFUFPC-SNVBAGLBSA-N 0 1 377.409 -1.848 20 0 GAADMN CNC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579403707 1075594228 /nfs/dbraw/zinc/59/42/28/1075594228.db2.gz QBKLKHYBUQDPJL-GHMZBOCLSA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579403708 1075594609 /nfs/dbraw/zinc/59/46/09/1075594609.db2.gz QBKLKHYBUQDPJL-MNOVXSKESA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579403709 1075594676 /nfs/dbraw/zinc/59/46/76/1075594676.db2.gz QBKLKHYBUQDPJL-QWRGUYRKSA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579403710 1075594629 /nfs/dbraw/zinc/59/46/29/1075594629.db2.gz QBKLKHYBUQDPJL-WDEREUQCSA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579404006 1075594915 /nfs/dbraw/zinc/59/49/15/1075594915.db2.gz VQFQOKPACOQPCJ-UHFFFAOYSA-N 0 1 377.409 -1.846 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579404918 1075595263 /nfs/dbraw/zinc/59/52/63/1075595263.db2.gz BWFGXSPLWUZRFR-LLVKDONJSA-N 0 1 389.420 -1.440 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579404919 1075595357 /nfs/dbraw/zinc/59/53/57/1075595357.db2.gz BWFGXSPLWUZRFR-NSHDSACASA-N 0 1 389.420 -1.440 20 0 GAADMN CNC(=O)NCC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579404997 1075595297 /nfs/dbraw/zinc/59/52/97/1075595297.db2.gz DYCVNUQVRFNZSX-LLVKDONJSA-N 0 1 389.420 -1.358 20 0 GAADMN CNC(=O)NCC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579404998 1075595306 /nfs/dbraw/zinc/59/53/06/1075595306.db2.gz DYCVNUQVRFNZSX-NSHDSACASA-N 0 1 389.420 -1.358 20 0 GAADMN CNC(=O)NCC(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579405296 1075596197 /nfs/dbraw/zinc/59/61/97/1075596197.db2.gz NHYCKTBUSQLSGF-INIZCTEOSA-N 0 1 389.420 -1.622 20 0 GAADMN CNC(=O)NCC(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579405297 1075596143 /nfs/dbraw/zinc/59/61/43/1075596143.db2.gz NHYCKTBUSQLSGF-MRXNPFEDSA-N 0 1 389.420 -1.622 20 0 GAADMN CNC(=O)NCC(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001579405301 1075596171 /nfs/dbraw/zinc/59/61/71/1075596171.db2.gz NLPBDOAPDAXMPC-UHFFFAOYSA-N 0 1 389.420 -1.622 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579405386 1075596151 /nfs/dbraw/zinc/59/61/51/1075596151.db2.gz PRQJCFFSCDEQGL-GWCFXTLKSA-N 0 1 389.420 -1.360 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579405388 1075596191 /nfs/dbraw/zinc/59/61/91/1075596191.db2.gz PRQJCFFSCDEQGL-GXFFZTMASA-N 0 1 389.420 -1.360 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579405389 1075596185 /nfs/dbraw/zinc/59/61/85/1075596185.db2.gz PRQJCFFSCDEQGL-MFKMUULPSA-N 0 1 389.420 -1.360 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579405390 1075596104 /nfs/dbraw/zinc/59/61/04/1075596104.db2.gz PRQJCFFSCDEQGL-ZWNOBZJWSA-N 0 1 389.420 -1.360 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579405546 1075596600 /nfs/dbraw/zinc/59/66/00/1075596600.db2.gz RNNSFSAVYAAEOP-NXEZZACHSA-N 0 1 390.408 -1.965 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579405547 1075596493 /nfs/dbraw/zinc/59/64/93/1075596493.db2.gz RNNSFSAVYAAEOP-UWVGGRQHSA-N 0 1 390.408 -1.965 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579405548 1075596439 /nfs/dbraw/zinc/59/64/39/1075596439.db2.gz RNNSFSAVYAAEOP-VHSXEESVSA-N 0 1 390.408 -1.965 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579405549 1075596457 /nfs/dbraw/zinc/59/64/57/1075596457.db2.gz RNNSFSAVYAAEOP-ZJUUUORDSA-N 0 1 390.408 -1.965 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579406068 1075596824 /nfs/dbraw/zinc/59/68/24/1075596824.db2.gz XLRWDIUJZKRFKJ-SECBINFHSA-N 0 1 376.381 -2.353 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579406070 1075596954 /nfs/dbraw/zinc/59/69/54/1075596954.db2.gz XLRWDIUJZKRFKJ-VIFPVBQESA-N 0 1 376.381 -2.353 20 0 GAADMN CNC(=O)NCC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579406071 1075596930 /nfs/dbraw/zinc/59/69/30/1075596930.db2.gz XMXVJMGORZBKLY-JTQLQIEISA-N 0 1 390.408 -1.963 20 0 GAADMN CNC(=O)NCC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579406074 1075596977 /nfs/dbraw/zinc/59/69/77/1075596977.db2.gz XMXVJMGORZBKLY-SNVBAGLBSA-N 0 1 390.408 -1.963 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579406076 1075596876 /nfs/dbraw/zinc/59/68/76/1075596876.db2.gz XOJTVDNLXOGCJK-JTQLQIEISA-N 0 1 375.393 -1.748 20 0 GAADMN CNC(=O)NCC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579406078 1075597012 /nfs/dbraw/zinc/59/70/12/1075597012.db2.gz XOJTVDNLXOGCJK-SNVBAGLBSA-N 0 1 375.393 -1.748 20 0 GAADMN CNC(=O)NCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001579406427 1075596842 /nfs/dbraw/zinc/59/68/42/1075596842.db2.gz BRHCYZCEGMAKAB-UHFFFAOYSA-N 0 1 389.420 -1.310 20 0 GAADMN CNC(=O)NCC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001579406508 1075597361 /nfs/dbraw/zinc/59/73/61/1075597361.db2.gz DEXRGIZWICTGDM-JTQLQIEISA-N 0 1 376.425 -1.050 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(C)C ZINC001579406509 1075597397 /nfs/dbraw/zinc/59/73/97/1075597397.db2.gz DEXRGIZWICTGDM-SNVBAGLBSA-N 0 1 376.425 -1.050 20 0 GAADMN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579407878 1075597815 /nfs/dbraw/zinc/59/78/15/1075597815.db2.gz MUWFYKWITBOFMX-GHMZBOCLSA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001579408444 1075598105 /nfs/dbraw/zinc/59/81/05/1075598105.db2.gz SDBKQJNRGKGDPZ-MNOVXSKESA-N 0 1 386.420 -1.130 20 0 GAADMN CNC(=O)NCC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001579408783 1075598031 /nfs/dbraw/zinc/59/80/31/1075598031.db2.gz WSVFBQDIYDNEIZ-SECBINFHSA-N 0 1 376.425 -1.050 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001579408784 1075598119 /nfs/dbraw/zinc/59/81/19/1075598119.db2.gz WSVFBQDIYDNEIZ-VIFPVBQESA-N 0 1 376.425 -1.050 20 0 GAADMN CNC(=O)NCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001579408797 1075598218 /nfs/dbraw/zinc/59/82/18/1075598218.db2.gz WYJBPHUSRQWVAJ-HWPZZCPQSA-N 0 1 386.420 -1.130 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001579409076 1075598854 /nfs/dbraw/zinc/59/88/54/1075598854.db2.gz BXNWERFFGSQBKJ-NXEZZACHSA-N 0 1 386.420 -1.153 20 0 GAADMN CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001579409077 1075598825 /nfs/dbraw/zinc/59/88/25/1075598825.db2.gz BXNWERFFGSQBKJ-UWVGGRQHSA-N 0 1 386.420 -1.153 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001579409078 1075598949 /nfs/dbraw/zinc/59/89/49/1075598949.db2.gz BXNWERFFGSQBKJ-VHSXEESVSA-N 0 1 386.420 -1.153 20 0 GAADMN CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001579409079 1075598873 /nfs/dbraw/zinc/59/88/73/1075598873.db2.gz BXNWERFFGSQBKJ-ZJUUUORDSA-N 0 1 386.420 -1.153 20 0 GAADMN CNC(=O)NCC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001579409172 1075598912 /nfs/dbraw/zinc/59/89/12/1075598912.db2.gz FEZLZSDPLFFYJM-UHFFFAOYSA-N 0 1 386.420 -1.153 20 0 GAADMN CNC(=O)NCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579409336 1075599324 /nfs/dbraw/zinc/59/93/24/1075599324.db2.gz HWXYWKDXPPLZQF-KBPBESRZSA-N 0 1 388.432 -1.153 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579409337 1075599269 /nfs/dbraw/zinc/59/92/69/1075599269.db2.gz HWXYWKDXPPLZQF-KGLIPLIRSA-N 0 1 388.432 -1.153 20 0 GAADMN CNC(=O)NCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001579409338 1075599262 /nfs/dbraw/zinc/59/92/62/1075599262.db2.gz HWXYWKDXPPLZQF-UONOGXRCSA-N 0 1 388.432 -1.153 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001579409339 1075599300 /nfs/dbraw/zinc/59/93/00/1075599300.db2.gz HWXYWKDXPPLZQF-ZIAGYGMSSA-N 0 1 388.432 -1.153 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579409579 1075599619 /nfs/dbraw/zinc/59/96/19/1075599619.db2.gz MVVNAWWHOVJQBE-JTQLQIEISA-N 0 1 380.384 -1.499 20 0 GAADMN CNC(=O)NCC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579409580 1075599563 /nfs/dbraw/zinc/59/95/63/1075599563.db2.gz MVVNAWWHOVJQBE-SNVBAGLBSA-N 0 1 380.384 -1.499 20 0 GAADMN CNC(=O)NCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579409934 1075600429 /nfs/dbraw/zinc/60/04/29/1075600429.db2.gz VDNDFUNSAXXOJU-AAEUAGOBSA-N 0 1 389.420 -1.445 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001579409935 1075600398 /nfs/dbraw/zinc/60/03/98/1075600398.db2.gz VDNDFUNSAXXOJU-DGCLKSJQSA-N 0 1 389.420 -1.445 20 0 GAADMN CNC(=O)NCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001579409936 1075600342 /nfs/dbraw/zinc/60/03/42/1075600342.db2.gz VDNDFUNSAXXOJU-WCQYABFASA-N 0 1 389.420 -1.445 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579409937 1075600371 /nfs/dbraw/zinc/60/03/71/1075600371.db2.gz VDNDFUNSAXXOJU-YPMHNXCESA-N 0 1 389.420 -1.445 20 0 GAADMN CNC(=O)NCC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001579410045 1075600331 /nfs/dbraw/zinc/60/03/31/1075600331.db2.gz XOHVCEYKZCCKJG-UHFFFAOYSA-N 0 1 389.420 -1.362 20 0 GAADMN CNC(=O)NCC(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001579410204 1075600426 /nfs/dbraw/zinc/60/04/26/1075600426.db2.gz ZDQVRARMFPLONR-RXMQYKEDSA-N 0 1 389.829 -1.205 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001579410205 1075600389 /nfs/dbraw/zinc/60/03/89/1075600389.db2.gz ZDQVRARMFPLONR-YFKPBYRVSA-N 0 1 389.829 -1.205 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579410938 1075600437 /nfs/dbraw/zinc/60/04/37/1075600437.db2.gz AIGBGZJRIGYJIZ-SECBINFHSA-N 0 1 376.381 -2.093 20 0 GAADMN CNC(=O)NCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579410941 1075600357 /nfs/dbraw/zinc/60/03/57/1075600357.db2.gz AIGBGZJRIGYJIZ-VIFPVBQESA-N 0 1 376.381 -2.093 20 0 GAADMN CNC(=O)NCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001579411006 1075600754 /nfs/dbraw/zinc/60/07/54/1075600754.db2.gz BNEUIKPAQUSUGU-JTQLQIEISA-N 0 1 390.408 -1.703 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001579411007 1075600744 /nfs/dbraw/zinc/60/07/44/1075600744.db2.gz BNEUIKPAQUSUGU-SNVBAGLBSA-N 0 1 390.408 -1.703 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579411050 1075601196 /nfs/dbraw/zinc/60/11/96/1075601196.db2.gz CSQOELVZKMNXMW-LLVKDONJSA-N 0 1 389.420 -1.179 20 0 GAADMN CNC(=O)NCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579411051 1075601140 /nfs/dbraw/zinc/60/11/40/1075601140.db2.gz CSQOELVZKMNXMW-NSHDSACASA-N 0 1 389.420 -1.179 20 0 GAADMN CNC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001579411310 1075601191 /nfs/dbraw/zinc/60/11/91/1075601191.db2.gz FMANNZBVPXIXBV-LLVKDONJSA-N 0 1 380.384 -1.499 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001579411311 1075601126 /nfs/dbraw/zinc/60/11/26/1075601126.db2.gz FMANNZBVPXIXBV-NSHDSACASA-N 0 1 380.384 -1.499 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579411543 1075601515 /nfs/dbraw/zinc/60/15/15/1075601515.db2.gz HQAHLHHHIMIDFZ-INIZCTEOSA-N 0 1 389.420 -1.443 20 0 GAADMN CNC(=O)NCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579411544 1075601531 /nfs/dbraw/zinc/60/15/31/1075601531.db2.gz HQAHLHHHIMIDFZ-MRXNPFEDSA-N 0 1 389.420 -1.443 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579411654 1075601563 /nfs/dbraw/zinc/60/15/63/1075601563.db2.gz JOGXOGIWXNQANA-SECBINFHSA-N 0 1 376.381 -2.093 20 0 GAADMN CNC(=O)NCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579411655 1075601952 /nfs/dbraw/zinc/60/19/52/1075601952.db2.gz JOGXOGIWXNQANA-VIFPVBQESA-N 0 1 376.381 -2.093 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001579411781 1075602164 /nfs/dbraw/zinc/60/21/64/1075602164.db2.gz MQQHQYYOJMJOBT-RXMQYKEDSA-N 0 1 389.829 -1.205 20 0 GAADMN CNC(=O)NCC(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001579411782 1075602274 /nfs/dbraw/zinc/60/22/74/1075602274.db2.gz MQQHQYYOJMJOBT-YFKPBYRVSA-N 0 1 389.829 -1.205 20 0 GAADMN CNC(=O)NCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579411857 1075602255 /nfs/dbraw/zinc/60/22/55/1075602255.db2.gz OTQYWSLFWBEURP-HNNXBMFYSA-N 0 1 390.408 -1.703 20 0 GAADMN CNC(=O)NCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579411858 1075602536 /nfs/dbraw/zinc/60/25/36/1075602536.db2.gz OTQYWSLFWBEURP-OAHLLOKOSA-N 0 1 390.408 -1.703 20 0 GAADMN CNC(=O)NCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001579412004 1075602941 /nfs/dbraw/zinc/60/29/41/1075602941.db2.gz UHHNTZXFNISXJY-UHFFFAOYSA-N 0 1 389.420 -1.310 20 0 GAADMN CNC(=O)NC[C@@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001579412308 1075603853 /nfs/dbraw/zinc/60/38/53/1075603853.db2.gz DAZSINPIMVMNJK-JTQLQIEISA-N 0 1 377.413 -1.049 20 0 GAADMN CNC(=O)NC[C@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001579412309 1075604166 /nfs/dbraw/zinc/60/41/66/1075604166.db2.gz DAZSINPIMVMNJK-SNVBAGLBSA-N 0 1 377.413 -1.049 20 0 GAADMN CNC(=O)NCCC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579412335 1075604188 /nfs/dbraw/zinc/60/41/88/1075604188.db2.gz FATZASRUGZRVTA-LLVKDONJSA-N 0 1 391.436 -1.458 20 0 GAADMN CNC(=O)NCCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579412336 1075604217 /nfs/dbraw/zinc/60/42/17/1075604217.db2.gz FATZASRUGZRVTA-NSHDSACASA-N 0 1 391.436 -1.458 20 0 GAADMN CNC(=O)NC[C@@H]1COCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579412529 1075604155 /nfs/dbraw/zinc/60/41/55/1075604155.db2.gz LOGSHDMBGNOWCQ-SECBINFHSA-N 0 1 382.406 -1.420 20 0 GAADMN CNC(=O)NC[C@H]1COCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579412530 1075604143 /nfs/dbraw/zinc/60/41/43/1075604143.db2.gz LOGSHDMBGNOWCQ-VIFPVBQESA-N 0 1 382.406 -1.420 20 0 GAADMN CNC(=O)NCCC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001579412535 1075604206 /nfs/dbraw/zinc/60/42/06/1075604206.db2.gz LYTBAIGNWDAPHG-LLVKDONJSA-N 0 1 391.436 -1.164 20 0 GAADMN CNC(=O)NCCC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001579412536 1075604181 /nfs/dbraw/zinc/60/41/81/1075604181.db2.gz LYTBAIGNWDAPHG-NSHDSACASA-N 0 1 391.436 -1.164 20 0 GAADMN CNC(=O)NCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579413080 1075604923 /nfs/dbraw/zinc/60/49/23/1075604923.db2.gz ACJMVHYSDCIEOP-UHFFFAOYSA-N 0 1 389.424 -2.176 20 0 GAADMN CNC(=O)NCC(=O)NCC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001579413146 1075604901 /nfs/dbraw/zinc/60/49/01/1075604901.db2.gz FIIHFYHMEFXLFX-SNVBAGLBSA-N 0 1 376.425 -1.050 20 0 GAADMN CNC(=O)NCC(=O)NCCN(CCOC)c1ccnc(-c2nn[nH]n2)n1 ZINC001579413175 1075604975 /nfs/dbraw/zinc/60/49/75/1075604975.db2.gz GTZYRPKRKZKLFK-UHFFFAOYSA-N 0 1 378.397 -1.845 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001579413399 1075605274 /nfs/dbraw/zinc/60/52/74/1075605274.db2.gz LTUMRPQWRKGLHJ-RKDXNWHRSA-N 0 1 376.381 -2.095 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001579413400 1075605295 /nfs/dbraw/zinc/60/52/95/1075605295.db2.gz LWZMIRMIRYCNOH-ZYHUDNBSSA-N 0 1 375.393 -1.835 20 0 GAADMN CNC(=O)NCC(=O)NCCOCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001579413834 1075605760 /nfs/dbraw/zinc/60/57/60/1075605760.db2.gz UUHIQBUQUXMAJE-UHFFFAOYSA-N 0 1 377.409 -1.240 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1OC ZINC001579413930 1075606067 /nfs/dbraw/zinc/60/60/67/1075606067.db2.gz YYSJNNXZVKAZED-DGCLKSJQSA-N 0 1 389.420 -1.181 20 0 GAADMN CNC(=O)NCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001579416019 1075606861 /nfs/dbraw/zinc/60/68/61/1075606861.db2.gz YMZNDYNYIFCHDG-GHMZBOCLSA-N 0 1 388.436 -1.096 20 0 GAADMN CNC(=O)NCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001579416053 1075606871 /nfs/dbraw/zinc/60/68/71/1075606871.db2.gz ZDZVKYYSTWLUCZ-PHIMTYICSA-N 0 1 386.420 -1.130 20 0 GAADMN CNC(=O)NCCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579416130 1075607111 /nfs/dbraw/zinc/60/71/11/1075607111.db2.gz BTYAYJLRVPEKJC-JTQLQIEISA-N 0 1 390.408 -1.963 20 0 GAADMN CNC(=O)NCCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579416131 1075607201 /nfs/dbraw/zinc/60/72/01/1075607201.db2.gz BTYAYJLRVPEKJC-SNVBAGLBSA-N 0 1 390.408 -1.963 20 0 GAADMN CNC(=O)NCCC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579417549 1075607515 /nfs/dbraw/zinc/60/75/15/1075607515.db2.gz UOJFFBITPQCHRY-LLVKDONJSA-N 0 1 389.420 -1.358 20 0 GAADMN CNC(=O)NCCC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579417550 1075607498 /nfs/dbraw/zinc/60/74/98/1075607498.db2.gz UOJFFBITPQCHRY-NSHDSACASA-N 0 1 389.420 -1.358 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579417605 1075607460 /nfs/dbraw/zinc/60/74/60/1075607460.db2.gz AADDHYGKSGZEJD-JTQLQIEISA-N 0 1 390.408 -1.703 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579417606 1075607456 /nfs/dbraw/zinc/60/74/56/1075607456.db2.gz AADDHYGKSGZEJD-SNVBAGLBSA-N 0 1 390.408 -1.703 20 0 GAADMN CNC(=O)NCCC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001579417887 1075607830 /nfs/dbraw/zinc/60/78/30/1075607830.db2.gz WINAHUXITRCVHL-UHFFFAOYSA-N 0 1 377.409 -1.765 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579418030 1075607887 /nfs/dbraw/zinc/60/78/87/1075607887.db2.gz LDYBDCJRJSJHME-JTQLQIEISA-N 0 1 377.409 -1.800 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579418031 1075607872 /nfs/dbraw/zinc/60/78/72/1075607872.db2.gz LDYBDCJRJSJHME-SNVBAGLBSA-N 0 1 377.409 -1.800 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579418111 1075608135 /nfs/dbraw/zinc/60/81/35/1075608135.db2.gz MLQTTZSZBODMEH-JTQLQIEISA-N 0 1 390.408 -1.703 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579418112 1075608250 /nfs/dbraw/zinc/60/82/50/1075608250.db2.gz MLQTTZSZBODMEH-SNVBAGLBSA-N 0 1 390.408 -1.703 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001579418175 1075608237 /nfs/dbraw/zinc/60/82/37/1075608237.db2.gz NZBCLHCQZZCTQR-JTQLQIEISA-N 0 1 376.425 -1.050 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001579418176 1075608266 /nfs/dbraw/zinc/60/82/66/1075608266.db2.gz NZBCLHCQZZCTQR-SNVBAGLBSA-N 0 1 376.425 -1.050 20 0 GAADMN CNC(=O)NCCC(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579418188 1075608192 /nfs/dbraw/zinc/60/81/92/1075608192.db2.gz YTCJVHSQALNGEJ-UHFFFAOYSA-N 0 1 391.436 -1.456 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579418450 1075608919 /nfs/dbraw/zinc/60/89/19/1075608919.db2.gz WHWFZDXKNBNNDY-SECBINFHSA-N 0 1 382.450 -1.186 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579418451 1075609025 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CNC(=O)NCCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579419752 1075609754 /nfs/dbraw/zinc/60/97/54/1075609754.db2.gz QQHYRJNXWGTAMY-KGLIPLIRSA-N 0 1 388.432 -1.153 20 0 GAADMN CNC(=O)NCCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001579419753 1075609823 /nfs/dbraw/zinc/60/98/23/1075609823.db2.gz QQHYRJNXWGTAMY-ZIAGYGMSSA-N 0 1 388.432 -1.153 20 0 GAADMN CNC(=O)NCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001579419944 1075609809 /nfs/dbraw/zinc/60/98/09/1075609809.db2.gz SZFOIDRLEBBBHX-NXEZZACHSA-N 0 1 390.408 -1.704 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001579424411 1075610497 /nfs/dbraw/zinc/61/04/97/1075610497.db2.gz CFZICYBBBJXSKG-JTQLQIEISA-N 0 1 380.434 -1.364 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001579424412 1075610608 /nfs/dbraw/zinc/61/06/08/1075610608.db2.gz CFZICYBBBJXSKG-SNVBAGLBSA-N 0 1 380.434 -1.364 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579424418 1075610614 /nfs/dbraw/zinc/61/06/14/1075610614.db2.gz CRDSXDMGVZYZCG-JTQLQIEISA-N 0 1 382.450 -1.200 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579424419 1075610564 /nfs/dbraw/zinc/61/05/64/1075610564.db2.gz CRDSXDMGVZYZCG-SNVBAGLBSA-N 0 1 382.450 -1.200 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579424537 1075611273 /nfs/dbraw/zinc/61/12/73/1075611273.db2.gz ICEUWQIXHYVYSH-UHFFFAOYSA-N 0 1 381.422 -1.755 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001579424555 1075611319 /nfs/dbraw/zinc/61/13/19/1075611319.db2.gz ILAXYAUJCOHDTE-NXEZZACHSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001579424556 1075611256 /nfs/dbraw/zinc/61/12/56/1075611256.db2.gz ILAXYAUJCOHDTE-UWVGGRQHSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001579424557 1075611362 /nfs/dbraw/zinc/61/13/62/1075611362.db2.gz ILAXYAUJCOHDTE-VHSXEESVSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001579424558 1075611315 /nfs/dbraw/zinc/61/13/15/1075611315.db2.gz ILAXYAUJCOHDTE-ZJUUUORDSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001579424596 1075611705 /nfs/dbraw/zinc/61/17/05/1075611705.db2.gz JYFBFHCNTHGBSQ-SECBINFHSA-N 0 1 384.422 -2.536 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001579424597 1075611621 /nfs/dbraw/zinc/61/16/21/1075611621.db2.gz JYFBFHCNTHGBSQ-VIFPVBQESA-N 0 1 384.422 -2.536 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579424598 1075611684 /nfs/dbraw/zinc/61/16/84/1075611684.db2.gz JZGLWGILIRIPIW-JTQLQIEISA-N 0 1 382.450 -1.200 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579424599 1075611661 /nfs/dbraw/zinc/61/16/61/1075611661.db2.gz JZGLWGILIRIPIW-SNVBAGLBSA-N 0 1 382.450 -1.200 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579424626 1075612011 /nfs/dbraw/zinc/61/20/11/1075612011.db2.gz LAGPWBOLTANZCZ-BXKDBHETSA-N 0 1 380.434 -1.508 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001579424627 1075611981 /nfs/dbraw/zinc/61/19/81/1075611981.db2.gz LAGPWBOLTANZCZ-CABZTGNLSA-N 0 1 380.434 -1.508 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579424628 1075611964 /nfs/dbraw/zinc/61/19/64/1075611964.db2.gz LAGPWBOLTANZCZ-JOYOIKCWSA-N 0 1 380.434 -1.508 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579424629 1075612014 /nfs/dbraw/zinc/61/20/14/1075612014.db2.gz LAGPWBOLTANZCZ-SKDRFNHKSA-N 0 1 380.434 -1.508 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001579424646 1075612032 /nfs/dbraw/zinc/61/20/32/1075612032.db2.gz LWZRFTMBFYBFGZ-UHFFFAOYSA-N 0 1 380.434 -1.232 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001579424691 1075612350 /nfs/dbraw/zinc/61/23/50/1075612350.db2.gz NRDLVUKVBAFJQC-BDAKNGLRSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001579424692 1075612295 /nfs/dbraw/zinc/61/22/95/1075612295.db2.gz NRDLVUKVBAFJQC-DTWKUNHWSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001579424693 1075612409 /nfs/dbraw/zinc/61/24/09/1075612409.db2.gz NRDLVUKVBAFJQC-IUCAKERBSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001579424694 1075612419 /nfs/dbraw/zinc/61/24/19/1075612419.db2.gz NRDLVUKVBAFJQC-RKDXNWHRSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579424695 1075612303 /nfs/dbraw/zinc/61/23/03/1075612303.db2.gz NRLZGSBMNILUIR-JTQLQIEISA-N 0 1 380.434 -1.507 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579424696 1075612338 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PJHUYMXZZVTLGO-RKDXNWHRSA-N 0 1 381.422 -2.113 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579424774 1075613097 /nfs/dbraw/zinc/61/30/97/1075613097.db2.gz QBMOILOSZGDFJW-SECBINFHSA-N 0 1 381.422 -2.112 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579424775 1075613101 /nfs/dbraw/zinc/61/31/01/1075613101.db2.gz QBMOILOSZGDFJW-VIFPVBQESA-N 0 1 381.422 -2.112 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579424799 1075613090 /nfs/dbraw/zinc/61/30/90/1075613090.db2.gz QTLRQBRBBOKPAX-UHFFFAOYSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579424807 1075613047 /nfs/dbraw/zinc/61/30/47/1075613047.db2.gz QYCNSEMKBHSYON-SECBINFHSA-N 0 1 381.422 -1.969 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579424808 1075613035 /nfs/dbraw/zinc/61/30/35/1075613035.db2.gz QYCNSEMKBHSYON-VIFPVBQESA-N 0 1 381.422 -1.969 20 0 GAADMN 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1075613678 /nfs/dbraw/zinc/61/36/78/1075613678.db2.gz AXLXMBUSCOHYOK-GHMZBOCLSA-N 0 1 394.461 -1.001 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001579424885 1075613703 /nfs/dbraw/zinc/61/37/03/1075613703.db2.gz AYDIXJARFMQHEL-UHFFFAOYSA-N 0 1 380.434 -1.316 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001579424906 1075613687 /nfs/dbraw/zinc/61/36/87/1075613687.db2.gz BHQCHUGYLYBAHQ-UHFFFAOYSA-N 0 1 381.422 -1.921 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001579424913 1075613643 /nfs/dbraw/zinc/61/36/43/1075613643.db2.gz BVRMBYPRNZORTI-GFCCVEGCSA-N 0 1 382.450 -1.215 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001579424914 1075614047 /nfs/dbraw/zinc/61/40/47/1075614047.db2.gz BVRMBYPRNZORTI-LBPRGKRZSA-N 0 1 382.450 -1.215 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579424929 1075614172 /nfs/dbraw/zinc/61/41/72/1075614172.db2.gz CJKFHPGGBWCFRN-DTORHVGOSA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579424930 1075614015 /nfs/dbraw/zinc/61/40/15/1075614015.db2.gz CJKFHPGGBWCFRN-KYZUINATSA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579424931 1075614112 /nfs/dbraw/zinc/61/41/12/1075614112.db2.gz CJKFHPGGBWCFRN-UHFFFAOYSA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579425026 1075614478 /nfs/dbraw/zinc/61/44/78/1075614478.db2.gz VYLBUZDRKMWPMI-SECBINFHSA-N 0 1 381.422 -1.969 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579425027 1075614423 /nfs/dbraw/zinc/61/44/23/1075614423.db2.gz VYLBUZDRKMWPMI-VIFPVBQESA-N 0 1 381.422 -1.969 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579425043 1075614470 /nfs/dbraw/zinc/61/44/70/1075614470.db2.gz WSCNXKNOKYACMV-UHFFFAOYSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H]1C ZINC001579425159 1075614431 /nfs/dbraw/zinc/61/44/31/1075614431.db2.gz XJQUPRXNHDXCNH-GXSJLCMTSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H]1C ZINC001579425160 1075614405 /nfs/dbraw/zinc/61/44/05/1075614405.db2.gz XJQUPRXNHDXCNH-KOLCDFICSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@H]1C ZINC001579425161 1075614458 /nfs/dbraw/zinc/61/44/58/1075614458.db2.gz XJQUPRXNHDXCNH-MWLCHTKSSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H]1C ZINC001579425162 1075614378 /nfs/dbraw/zinc/61/43/78/1075614378.db2.gz XJQUPRXNHDXCNH-ONGXEEELSA-N 0 1 380.434 -1.366 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579425273 1075614744 /nfs/dbraw/zinc/61/47/44/1075614744.db2.gz ZULAXFLNDWWMNO-UHFFFAOYSA-N 0 1 383.438 -1.509 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001579425497 1075615163 /nfs/dbraw/zinc/61/51/63/1075615163.db2.gz FYUNERRJKMUJGJ-UHFFFAOYSA-N 0 1 380.434 -1.398 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579425500 1075615174 /nfs/dbraw/zinc/61/51/74/1075615174.db2.gz GEHKOWFWQZPKLK-QWRGUYRKSA-N 0 1 392.445 -1.091 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579425503 1075615084 /nfs/dbraw/zinc/61/50/84/1075615084.db2.gz GNWBROJZHSWHTN-CYBMUJFWSA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579425504 1075615199 /nfs/dbraw/zinc/61/51/99/1075615199.db2.gz GNWBROJZHSWHTN-ZDUSSCGKSA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579425508 1075615151 /nfs/dbraw/zinc/61/51/51/1075615151.db2.gz GUTIHYMAKNPPKD-JTQLQIEISA-N 0 1 380.434 -1.186 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579425509 1075615390 /nfs/dbraw/zinc/61/53/90/1075615390.db2.gz GUTIHYMAKNPPKD-SNVBAGLBSA-N 0 1 380.434 -1.186 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579425533 1075615453 /nfs/dbraw/zinc/61/54/53/1075615453.db2.gz HHCDORWTILZMSM-NXEZZACHSA-N 0 1 382.450 -1.072 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579425536 1075615480 /nfs/dbraw/zinc/61/54/80/1075615480.db2.gz HHCDORWTILZMSM-UWVGGRQHSA-N 0 1 382.450 -1.072 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579425756 1075615497 /nfs/dbraw/zinc/61/54/97/1075615497.db2.gz HHCDORWTILZMSM-VHSXEESVSA-N 0 1 382.450 -1.072 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579425757 1075615441 /nfs/dbraw/zinc/61/54/41/1075615441.db2.gz HHCDORWTILZMSM-ZJUUUORDSA-N 0 1 382.450 -1.072 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001579425762 1075615318 /nfs/dbraw/zinc/61/53/18/1075615318.db2.gz HPOWEEAWMFFDRB-WLLOZRIZSA-N 0 1 392.445 -1.391 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579425804 1075615777 /nfs/dbraw/zinc/61/57/77/1075615777.db2.gz IAEAMFQLXTVVTC-VIFPVBQESA-N 0 1 382.450 -1.152 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579425907 1075615804 /nfs/dbraw/zinc/61/58/04/1075615804.db2.gz JAJVGCHMGIBZLM-SECBINFHSA-N 0 1 382.450 -1.295 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579425908 1075615839 /nfs/dbraw/zinc/61/58/39/1075615839.db2.gz JAJVGCHMGIBZLM-VIFPVBQESA-N 0 1 382.450 -1.295 20 0 GAADMN CNS(=O)(=O)CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579425917 1075616126 /nfs/dbraw/zinc/61/61/26/1075616126.db2.gz JOPNTEHDNVOPSG-UHFFFAOYSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579425920 1075616218 /nfs/dbraw/zinc/61/62/18/1075616218.db2.gz JSAGHPRADWBXHT-SECBINFHSA-N 0 1 382.450 -1.152 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579425921 1075616102 /nfs/dbraw/zinc/61/61/02/1075616102.db2.gz JSAGHPRADWBXHT-VIFPVBQESA-N 0 1 382.450 -1.152 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579425933 1075616222 /nfs/dbraw/zinc/61/62/22/1075616222.db2.gz KHHXXZLEZRBKAK-UHFFFAOYSA-N 0 1 379.446 -1.036 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579425936 1075616215 /nfs/dbraw/zinc/61/62/15/1075616215.db2.gz KKIPRORRDFBBJD-BDAKNGLRSA-N 0 1 383.438 -1.677 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579425937 1075616182 /nfs/dbraw/zinc/61/61/82/1075616182.db2.gz KKIPRORRDFBBJD-DTWKUNHWSA-N 0 1 383.438 -1.677 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579425938 1075616229 /nfs/dbraw/zinc/61/62/29/1075616229.db2.gz KKIPRORRDFBBJD-IUCAKERBSA-N 0 1 383.438 -1.677 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579425939 1075616238 /nfs/dbraw/zinc/61/62/38/1075616238.db2.gz KKIPRORRDFBBJD-RKDXNWHRSA-N 0 1 383.438 -1.677 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001579426208 1075616369 /nfs/dbraw/zinc/61/63/69/1075616369.db2.gz KYKSOXHYCRLPNF-SECBINFHSA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001579426210 1075616358 /nfs/dbraw/zinc/61/63/58/1075616358.db2.gz KYKSOXHYCRLPNF-VIFPVBQESA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001579426214 1075616421 /nfs/dbraw/zinc/61/64/21/1075616421.db2.gz LDVULGRIFRROSN-MRVPVSSYSA-N 0 1 389.463 -1.956 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579426214 1075616408 /nfs/dbraw/zinc/61/64/08/1075616408.db2.gz LDVULGRIFRROSN-MRVPVSSYSA-N 0 1 389.463 -1.956 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001579426215 1075616524 /nfs/dbraw/zinc/61/65/24/1075616524.db2.gz LDVULGRIFRROSN-QMMMGPOBSA-N 0 1 389.463 -1.956 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579426215 1075616521 /nfs/dbraw/zinc/61/65/21/1075616521.db2.gz LDVULGRIFRROSN-QMMMGPOBSA-N 0 1 389.463 -1.956 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579426248 1075616381 /nfs/dbraw/zinc/61/63/81/1075616381.db2.gz MBXCTGZFDGQYLJ-SECBINFHSA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579426251 1075616534 /nfs/dbraw/zinc/61/65/34/1075616534.db2.gz MBXCTGZFDGQYLJ-VIFPVBQESA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579426291 1075616513 /nfs/dbraw/zinc/61/65/13/1075616513.db2.gz MLTGGGDFRNIDQK-JTQLQIEISA-N 0 1 380.434 -1.247 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001579426295 1075616812 /nfs/dbraw/zinc/61/68/12/1075616812.db2.gz MLTGGGDFRNIDQK-SNVBAGLBSA-N 0 1 380.434 -1.247 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001579426298 1075616922 /nfs/dbraw/zinc/61/69/22/1075616922.db2.gz MOPHVPYZCYFMCT-SECBINFHSA-N 0 1 383.438 -1.820 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001579426301 1075616889 /nfs/dbraw/zinc/61/68/89/1075616889.db2.gz MOPHVPYZCYFMCT-VIFPVBQESA-N 0 1 383.438 -1.820 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579426305 1075616766 /nfs/dbraw/zinc/61/67/66/1075616766.db2.gz MPAOTICJIBRXBN-WDEREUQCSA-N 0 1 394.461 -1.070 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579426399 1075617280 /nfs/dbraw/zinc/61/72/80/1075617280.db2.gz OVYCVSUZDLGAOZ-MRVPVSSYSA-N 0 1 389.463 -1.956 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579426404 1075617264 /nfs/dbraw/zinc/61/72/64/1075617264.db2.gz OVYCVSUZDLGAOZ-QMMMGPOBSA-N 0 1 389.463 -1.956 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579426410 1075617241 /nfs/dbraw/zinc/61/72/41/1075617241.db2.gz OXRWZNAUYZEIIJ-SECBINFHSA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579426411 1075617258 /nfs/dbraw/zinc/61/72/58/1075617258.db2.gz OXRWZNAUYZEIIJ-VIFPVBQESA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001579426458 1075617206 /nfs/dbraw/zinc/61/72/06/1075617206.db2.gz PNQCHSPXXNJMHD-BBBLOLIVSA-N 0 1 393.433 -1.568 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001579426584 1075617998 /nfs/dbraw/zinc/61/79/98/1075617998.db2.gz RSEITLNFFOPFCG-RKDXNWHRSA-N 0 1 381.422 -1.853 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579426721 1075617808 /nfs/dbraw/zinc/61/78/08/1075617808.db2.gz SDPRRPLKXSMXBQ-PWSUYJOCSA-N 0 1 396.433 -2.215 20 0 GAADMN CNS(=O)(=O)CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579426730 1075617820 /nfs/dbraw/zinc/61/78/20/1075617820.db2.gz SJIWILHPDHLHBC-UHFFFAOYSA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001579426736 1075618051 /nfs/dbraw/zinc/61/80/51/1075618051.db2.gz SQDUOLGLEVASBN-IUCAKERBSA-N 0 1 379.406 -2.005 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579426745 1075617847 /nfs/dbraw/zinc/61/78/47/1075617847.db2.gz SXVXLYCWUQLGBL-AOOOYVTPSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579426746 1075618064 /nfs/dbraw/zinc/61/80/64/1075618064.db2.gz SXVXLYCWUQLGBL-MGCOHNPYSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001579426804 1075618417 /nfs/dbraw/zinc/61/84/17/1075618417.db2.gz UJQISXMBIMDGLZ-UHFFFAOYSA-N 0 1 380.434 -1.104 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579426868 1075618481 /nfs/dbraw/zinc/61/84/81/1075618481.db2.gz VGHYEUCGMPUDBL-JTQLQIEISA-N 0 1 380.434 -1.446 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579426884 1075618283 /nfs/dbraw/zinc/61/82/83/1075618283.db2.gz VQLJURKQFLHFLJ-UHFFFAOYSA-N 0 1 379.446 -1.036 20 0 GAADMN CNS(=O)(=O)CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579426888 1075618274 /nfs/dbraw/zinc/61/82/74/1075618274.db2.gz VUYQMLSXSPWISU-UHFFFAOYSA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001579427085 1075618768 /nfs/dbraw/zinc/61/87/68/1075618768.db2.gz WLNKJGLPQRIKEE-GFCCVEGCSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001579427086 1075618885 /nfs/dbraw/zinc/61/88/85/1075618885.db2.gz WLNKJGLPQRIKEE-LBPRGKRZSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001579427090 1075618880 /nfs/dbraw/zinc/61/88/80/1075618880.db2.gz WNBKNYLLGLGYNE-GFCCVEGCSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001579427091 1075618875 /nfs/dbraw/zinc/61/88/75/1075618875.db2.gz WNBKNYLLGLGYNE-LBPRGKRZSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001579427098 1075619181 /nfs/dbraw/zinc/61/91/81/1075619181.db2.gz WPTIQYHKWMRUIU-PHIMTYICSA-N 0 1 392.445 -1.295 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001579427135 1075619171 /nfs/dbraw/zinc/61/91/71/1075619171.db2.gz XLKMCZAJYFOXOH-SECBINFHSA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001579427136 1075619211 /nfs/dbraw/zinc/61/92/11/1075619211.db2.gz XLKMCZAJYFOXOH-VIFPVBQESA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579427266 1075619531 /nfs/dbraw/zinc/61/95/31/1075619531.db2.gz YSKDBXMLHPNAIR-UHFFFAOYSA-N 0 1 379.446 -1.036 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579427455 1075620397 /nfs/dbraw/zinc/62/03/97/1075620397.db2.gz CWECPFNJOOMOOI-JTQLQIEISA-N 0 1 382.450 -1.118 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579427456 1075620432 /nfs/dbraw/zinc/62/04/32/1075620432.db2.gz CWECPFNJOOMOOI-SNVBAGLBSA-N 0 1 382.450 -1.118 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001579427489 1075620758 /nfs/dbraw/zinc/62/07/58/1075620758.db2.gz FHKVWWXSBSVARR-YABSGUDNSA-N 0 1 392.445 -1.248 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579427499 1075620858 /nfs/dbraw/zinc/62/08/58/1075620858.db2.gz FPADXJLHMDRKDV-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579427500 1075621222 /nfs/dbraw/zinc/62/12/22/1075621222.db2.gz FPADXJLHMDRKDV-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN CNS(=O)(=O)CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579427504 1075621307 /nfs/dbraw/zinc/62/13/07/1075621307.db2.gz FUACDPXJPOVMCR-SECBINFHSA-N 0 1 381.422 -1.969 20 0 GAADMN CNS(=O)(=O)CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579427505 1075621198 /nfs/dbraw/zinc/62/11/98/1075621198.db2.gz FUACDPXJPOVMCR-VIFPVBQESA-N 0 1 381.422 -1.969 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579427530 1075621279 /nfs/dbraw/zinc/62/12/79/1075621279.db2.gz HJZAKFVXSDEBOC-SECBINFHSA-N 0 1 383.438 -1.463 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579427531 1075621159 /nfs/dbraw/zinc/62/11/59/1075621159.db2.gz HJZAKFVXSDEBOC-VIFPVBQESA-N 0 1 383.438 -1.463 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579427540 1075621270 /nfs/dbraw/zinc/62/12/70/1075621270.db2.gz HOXFPUOLKGEJMR-BDAKNGLRSA-N 0 1 383.438 -1.677 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579427541 1075621285 /nfs/dbraw/zinc/62/12/85/1075621285.db2.gz HOXFPUOLKGEJMR-DTWKUNHWSA-N 0 1 383.438 -1.677 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579427542 1075621233 /nfs/dbraw/zinc/62/12/33/1075621233.db2.gz HOXFPUOLKGEJMR-IUCAKERBSA-N 0 1 383.438 -1.677 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579427543 1075621212 /nfs/dbraw/zinc/62/12/12/1075621212.db2.gz HOXFPUOLKGEJMR-RKDXNWHRSA-N 0 1 383.438 -1.677 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H](C)CCNc1ccncc1-c1nn[nH]n1 ZINC001579427544 1075621619 /nfs/dbraw/zinc/62/16/19/1075621619.db2.gz HQVTZSLYDPMGKC-JTQLQIEISA-N 0 1 382.450 -1.070 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H](C)CCNc1ccncc1-c1nn[nH]n1 ZINC001579427545 1075621821 /nfs/dbraw/zinc/62/18/21/1075621821.db2.gz HQVTZSLYDPMGKC-SNVBAGLBSA-N 0 1 382.450 -1.070 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001579427547 1075621615 /nfs/dbraw/zinc/62/16/15/1075621615.db2.gz HRSBJRBOJYBMCM-YABSGUDNSA-N 0 1 392.445 -1.330 20 0 GAADMN CNS(=O)(=O)CCC(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579427563 1075621785 /nfs/dbraw/zinc/62/17/85/1075621785.db2.gz IVECZBWZKQFBKW-JTQLQIEISA-N 0 1 382.450 -1.070 20 0 GAADMN CNS(=O)(=O)CCC(=O)NCC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579427564 1075621676 /nfs/dbraw/zinc/62/16/76/1075621676.db2.gz IVECZBWZKQFBKW-SNVBAGLBSA-N 0 1 382.450 -1.070 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579427579 1075621709 /nfs/dbraw/zinc/62/17/09/1075621709.db2.gz JOPNTEHDNVOPSG-MGCOHNPYSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CCC(=O)NCCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579427583 1075621720 /nfs/dbraw/zinc/62/17/20/1075621720.db2.gz JRFXUFADAIXMNG-UHFFFAOYSA-N 0 1 382.450 -1.150 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579427632 1075622181 /nfs/dbraw/zinc/62/21/81/1075622181.db2.gz LJJAVOQBSQIQAR-SECBINFHSA-N 0 1 383.438 -1.463 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579427633 1075622058 /nfs/dbraw/zinc/62/20/58/1075622058.db2.gz LJJAVOQBSQIQAR-VIFPVBQESA-N 0 1 383.438 -1.463 20 0 GAADMN CNS(=O)(=O)CCC(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579427639 1075622132 /nfs/dbraw/zinc/62/21/32/1075622132.db2.gz LSRHFTIFWMKMGY-SECBINFHSA-N 0 1 383.438 -1.675 20 0 GAADMN CNS(=O)(=O)CCC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579427640 1075622100 /nfs/dbraw/zinc/62/21/00/1075622100.db2.gz LSRHFTIFWMKMGY-VIFPVBQESA-N 0 1 383.438 -1.675 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579427658 1075622047 /nfs/dbraw/zinc/62/20/47/1075622047.db2.gz MVGPMNQPZMCQNL-DTORHVGOSA-N 0 1 381.422 -1.923 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579427659 1075622237 /nfs/dbraw/zinc/62/22/37/1075622237.db2.gz MVGPMNQPZMCQNL-KYZUINATSA-N 0 1 381.422 -1.923 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579427669 1075622442 /nfs/dbraw/zinc/62/24/42/1075622442.db2.gz NJLXURQUWJYUFJ-SNVBAGLBSA-N 0 1 382.450 -1.152 20 0 GAADMN CNS(=O)(=O)CCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579427758 1075622648 /nfs/dbraw/zinc/62/26/48/1075622648.db2.gz PDXMOIQYMDSSFZ-JTQLQIEISA-N 0 1 380.434 -1.364 20 0 GAADMN CNS(=O)(=O)CCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579427759 1075622522 /nfs/dbraw/zinc/62/25/22/1075622522.db2.gz PDXMOIQYMDSSFZ-SNVBAGLBSA-N 0 1 380.434 -1.364 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579427813 1075622884 /nfs/dbraw/zinc/62/28/84/1075622884.db2.gz RCEDAJLPXWHLKA-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579427814 1075622957 /nfs/dbraw/zinc/62/29/57/1075622957.db2.gz RCEDAJLPXWHLKA-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001579427879 1075623333 /nfs/dbraw/zinc/62/33/33/1075623333.db2.gz SMKDIBSZJVBKDB-BDAKNGLRSA-N 0 1 381.422 -1.711 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001579427881 1075623393 /nfs/dbraw/zinc/62/33/93/1075623393.db2.gz SUPZLUQMJSEAQF-VROVMSAKSA-N 0 1 379.406 -2.243 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001579427886 1075623423 /nfs/dbraw/zinc/62/34/23/1075623423.db2.gz TUZYWTIKISOORE-IWIIMEHWSA-N 0 1 378.418 -1.638 20 0 GAADMN CNS(=O)(=O)CCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579427889 1075623446 /nfs/dbraw/zinc/62/34/46/1075623446.db2.gz TXAKGVFCXLNESM-UHFFFAOYSA-N 0 1 381.422 -1.921 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579427904 1075623349 /nfs/dbraw/zinc/62/33/49/1075623349.db2.gz UHHQKHRRNVXFAS-AOOOYVTPSA-N 0 1 380.434 -1.400 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579427905 1075623754 /nfs/dbraw/zinc/62/37/54/1075623754.db2.gz UHHQKHRRNVXFAS-MGCOHNPYSA-N 0 1 380.434 -1.400 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579427919 1075623711 /nfs/dbraw/zinc/62/37/11/1075623711.db2.gz VDFMLTUMNYHMDD-SECBINFHSA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579427920 1075623624 /nfs/dbraw/zinc/62/36/24/1075623624.db2.gz VDFMLTUMNYHMDD-VIFPVBQESA-N 0 1 381.422 -1.709 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579427929 1075623698 /nfs/dbraw/zinc/62/36/98/1075623698.db2.gz VRNBESFYBFNIKT-AOOOYVTPSA-N 0 1 380.434 -1.318 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579427930 1075623764 /nfs/dbraw/zinc/62/37/64/1075623764.db2.gz VRNBESFYBFNIKT-MGCOHNPYSA-N 0 1 380.434 -1.318 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579427932 1075623802 /nfs/dbraw/zinc/62/38/02/1075623802.db2.gz VUYQMLSXSPWISU-KYZUINATSA-N 0 1 381.422 -2.066 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579427935 1075623792 /nfs/dbraw/zinc/62/37/92/1075623792.db2.gz VYGQKTXIDKGBBN-JTQLQIEISA-N 0 1 382.450 -1.213 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579427936 1075623734 /nfs/dbraw/zinc/62/37/34/1075623734.db2.gz VYGQKTXIDKGBBN-SNVBAGLBSA-N 0 1 382.450 -1.213 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579427982 1075624169 /nfs/dbraw/zinc/62/41/69/1075624169.db2.gz XEZNZBQVDUUPFV-UHFFFAOYSA-N 0 1 383.438 -1.509 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579427986 1075624077 /nfs/dbraw/zinc/62/40/77/1075624077.db2.gz XISDRVIRKIBOFD-JTQLQIEISA-N 0 1 382.450 -1.152 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579427987 1075624116 /nfs/dbraw/zinc/62/41/16/1075624116.db2.gz XISDRVIRKIBOFD-SNVBAGLBSA-N 0 1 382.450 -1.152 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428015 1075624106 /nfs/dbraw/zinc/62/41/06/1075624106.db2.gz YLGJMAUXRHKNGS-NXEZZACHSA-N 0 1 382.450 -1.072 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428016 1075624096 /nfs/dbraw/zinc/62/40/96/1075624096.db2.gz YLGJMAUXRHKNGS-UWVGGRQHSA-N 0 1 382.450 -1.072 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428017 1075624014 /nfs/dbraw/zinc/62/40/14/1075624014.db2.gz YLGJMAUXRHKNGS-VHSXEESVSA-N 0 1 382.450 -1.072 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428018 1075624125 /nfs/dbraw/zinc/62/41/25/1075624125.db2.gz YLGJMAUXRHKNGS-ZJUUUORDSA-N 0 1 382.450 -1.072 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579428082 1075624590 /nfs/dbraw/zinc/62/45/90/1075624590.db2.gz AVROPMIMIQSSGA-SECBINFHSA-N 0 1 383.438 -2.038 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579428083 1075624585 /nfs/dbraw/zinc/62/45/85/1075624585.db2.gz AVROPMIMIQSSGA-VIFPVBQESA-N 0 1 383.438 -2.038 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579428112 1075624955 /nfs/dbraw/zinc/62/49/55/1075624955.db2.gz BVJGFVPKAOAHIL-DTORHVGOSA-N 0 1 381.422 -2.204 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579428113 1075625063 /nfs/dbraw/zinc/62/50/63/1075625063.db2.gz BVJGFVPKAOAHIL-KYZUINATSA-N 0 1 381.422 -2.204 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579428115 1075625055 /nfs/dbraw/zinc/62/50/55/1075625055.db2.gz CCGVQQZYXSXZSD-UHFFFAOYSA-N 0 1 382.450 -1.532 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001579428158 1075625020 /nfs/dbraw/zinc/62/50/20/1075625020.db2.gz FLNPDIHRKIBFSO-MRVPVSSYSA-N 0 1 388.479 -1.424 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579428158 1075625016 /nfs/dbraw/zinc/62/50/16/1075625016.db2.gz FLNPDIHRKIBFSO-MRVPVSSYSA-N 0 1 388.479 -1.424 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001579428159 1075625106 /nfs/dbraw/zinc/62/51/06/1075625106.db2.gz FLNPDIHRKIBFSO-QMMMGPOBSA-N 0 1 388.479 -1.424 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001579428159 1075625105 /nfs/dbraw/zinc/62/51/05/1075625105.db2.gz FLNPDIHRKIBFSO-QMMMGPOBSA-N 0 1 388.479 -1.424 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428181 1075625274 /nfs/dbraw/zinc/62/52/74/1075625274.db2.gz GOYUZFOMZXDCEH-SECBINFHSA-N 0 1 383.438 -2.004 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428182 1075625353 /nfs/dbraw/zinc/62/53/53/1075625353.db2.gz GOYUZFOMZXDCEH-VIFPVBQESA-N 0 1 383.438 -2.004 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428200 1075625342 /nfs/dbraw/zinc/62/53/42/1075625342.db2.gz HPYUWBCQYIXSMC-BDAKNGLRSA-N 0 1 383.438 -1.958 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428201 1075625423 /nfs/dbraw/zinc/62/54/23/1075625423.db2.gz HPYUWBCQYIXSMC-DTWKUNHWSA-N 0 1 383.438 -1.958 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428202 1075625491 /nfs/dbraw/zinc/62/54/91/1075625491.db2.gz HPYUWBCQYIXSMC-IUCAKERBSA-N 0 1 383.438 -1.958 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428203 1075625327 /nfs/dbraw/zinc/62/53/27/1075625327.db2.gz HPYUWBCQYIXSMC-RKDXNWHRSA-N 0 1 383.438 -1.958 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579428214 1075625473 /nfs/dbraw/zinc/62/54/73/1075625473.db2.gz IADNKBGRSVWETP-UHFFFAOYSA-N 0 1 384.426 -2.395 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H](C)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001579428224 1075625363 /nfs/dbraw/zinc/62/53/63/1075625363.db2.gz ILAGYPKKOVAEBK-SECBINFHSA-N 0 1 383.438 -1.744 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001579428225 1075625787 /nfs/dbraw/zinc/62/57/87/1075625787.db2.gz ILAGYPKKOVAEBK-VIFPVBQESA-N 0 1 383.438 -1.744 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@H](C)CCNc1ccncc1-c1nn[nH]n1 ZINC001579428238 1075625865 /nfs/dbraw/zinc/62/58/65/1075625865.db2.gz JDTKPWVGOFARMZ-SECBINFHSA-N 0 1 383.438 -1.956 20 0 GAADMN CNS(=O)(=O)NCC(=O)N[C@@H](C)CCNc1ccncc1-c1nn[nH]n1 ZINC001579428239 1075625690 /nfs/dbraw/zinc/62/56/90/1075625690.db2.gz JDTKPWVGOFARMZ-VIFPVBQESA-N 0 1 383.438 -1.956 20 0 GAADMN CNS(=O)(=O)NCC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579428374 1075625764 /nfs/dbraw/zinc/62/57/64/1075625764.db2.gz KSVTXBRHSVOQIK-UHFFFAOYSA-N 0 1 382.410 -2.641 20 0 GAADMN CNS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001579428392 1075625851 /nfs/dbraw/zinc/62/58/51/1075625851.db2.gz LGKHDJRMFLSKGA-SECBINFHSA-N 0 1 383.438 -1.744 20 0 GAADMN CNS(=O)(=O)NCC(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001579428393 1075625698 /nfs/dbraw/zinc/62/56/98/1075625698.db2.gz LGKHDJRMFLSKGA-VIFPVBQESA-N 0 1 383.438 -1.744 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579428490 1075626111 /nfs/dbraw/zinc/62/61/11/1075626111.db2.gz NJEMZGKVCBEORV-SECBINFHSA-N 0 1 383.438 -2.004 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579428491 1075626154 /nfs/dbraw/zinc/62/61/54/1075626154.db2.gz NJEMZGKVCBEORV-VIFPVBQESA-N 0 1 383.438 -2.004 20 0 GAADMN CNS(=O)(=O)NCC(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579428493 1075626201 /nfs/dbraw/zinc/62/62/01/1075626201.db2.gz NJPICQWDWOOHII-SECBINFHSA-N 0 1 383.438 -2.098 20 0 GAADMN CNS(=O)(=O)NCC(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579428495 1075626235 /nfs/dbraw/zinc/62/62/35/1075626235.db2.gz NJPICQWDWOOHII-VIFPVBQESA-N 0 1 383.438 -2.098 20 0 GAADMN CNS(=O)(=O)NCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579428539 1075626145 /nfs/dbraw/zinc/62/61/45/1075626145.db2.gz OSJBXYAOEFZGDO-SECBINFHSA-N 0 1 383.438 -2.038 20 0 GAADMN CNS(=O)(=O)NCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579428540 1075626668 /nfs/dbraw/zinc/62/66/68/1075626668.db2.gz OSJBXYAOEFZGDO-VIFPVBQESA-N 0 1 383.438 -2.038 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579428873 1075627080 /nfs/dbraw/zinc/62/70/80/1075627080.db2.gz USGUYZIDNZUSTM-UHFFFAOYSA-N 0 1 383.438 -1.824 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001579428908 1075627564 /nfs/dbraw/zinc/62/75/64/1075627564.db2.gz WAWFLANGQALZTJ-UHFFFAOYSA-N 0 1 383.438 -1.790 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428926 1075627498 /nfs/dbraw/zinc/62/74/98/1075627498.db2.gz WUYCDWMOHCGYFA-SECBINFHSA-N 0 1 383.438 -1.956 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579428927 1075627574 /nfs/dbraw/zinc/62/75/74/1075627574.db2.gz WUYCDWMOHCGYFA-VIFPVBQESA-N 0 1 383.438 -1.956 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001579428935 1075627536 /nfs/dbraw/zinc/62/75/36/1075627536.db2.gz XBVKIAFHMFGAHI-UHFFFAOYSA-N 0 1 381.422 -2.202 20 0 GAADMN CNS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579428953 1075627529 /nfs/dbraw/zinc/62/75/29/1075627529.db2.gz XQKALWSNIIRFDX-SECBINFHSA-N 0 1 381.422 -2.250 20 0 GAADMN CNS(=O)(=O)NCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001579428955 1075627470 /nfs/dbraw/zinc/62/74/70/1075627470.db2.gz XQKALWSNIIRFDX-VIFPVBQESA-N 0 1 381.422 -2.250 20 0 GAADMN CNS(=O)(=O)c1ccc(CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001579429095 1075627896 /nfs/dbraw/zinc/62/78/96/1075627896.db2.gz ZYNNHWRHUDLNKI-UHFFFAOYSA-N 0 1 391.417 -1.275 20 0 GAADMN COC(=O)[C@@H](CC1OCCO1)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579434384 1075627787 /nfs/dbraw/zinc/62/77/87/1075627787.db2.gz VZSQKSLDWRRZIA-MRVPVSSYSA-N 0 1 384.374 -1.155 20 0 GAADMN COC(=O)[C@H](CC1OCCO1)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579434385 1075627769 /nfs/dbraw/zinc/62/77/69/1075627769.db2.gz VZSQKSLDWRRZIA-QMMMGPOBSA-N 0 1 384.374 -1.155 20 0 GAADMN COC(=O)[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579441495 1075628979 /nfs/dbraw/zinc/62/89/79/1075628979.db2.gz UCJCMYLLCBGZMB-NXEZZACHSA-N 0 1 376.377 -1.880 20 0 GAADMN COC(=O)[C@H]1C[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579441496 1075629059 /nfs/dbraw/zinc/62/90/59/1075629059.db2.gz UCJCMYLLCBGZMB-UWVGGRQHSA-N 0 1 376.377 -1.880 20 0 GAADMN COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579441497 1075629065 /nfs/dbraw/zinc/62/90/65/1075629065.db2.gz UCJCMYLLCBGZMB-VHSXEESVSA-N 0 1 376.377 -1.880 20 0 GAADMN COC(=O)[C@H]1C[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579441498 1075628936 /nfs/dbraw/zinc/62/89/36/1075628936.db2.gz UCJCMYLLCBGZMB-ZJUUUORDSA-N 0 1 376.377 -1.880 20 0 GAADMN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001579445188 1075629420 /nfs/dbraw/zinc/62/94/20/1075629420.db2.gz BDIJZKNPUKSEEC-SSDOTTSWSA-N 0 1 386.415 -1.068 20 0 GAADMN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001579445189 1075629413 /nfs/dbraw/zinc/62/94/13/1075629413.db2.gz BDIJZKNPUKSEEC-ZETCQYMHSA-N 0 1 386.415 -1.068 20 0 GAADMN COC(=O)CC[N@H+]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001579447323 1075630284 /nfs/dbraw/zinc/63/02/84/1075630284.db2.gz IWCPVEYRDXMVSW-SECBINFHSA-N 0 1 378.393 -1.673 20 0 GAADMN COC(=O)CC[N@H+]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001579447324 1075630341 /nfs/dbraw/zinc/63/03/41/1075630341.db2.gz IWCPVEYRDXMVSW-VIFPVBQESA-N 0 1 378.393 -1.673 20 0 GAADMN COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579450197 1075630173 /nfs/dbraw/zinc/63/01/73/1075630173.db2.gz BPEHAWOKOOZOOW-SECBINFHSA-N 0 1 395.401 -1.296 20 0 GAADMN COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579450198 1075630218 /nfs/dbraw/zinc/63/02/18/1075630218.db2.gz BPEHAWOKOOZOOW-VIFPVBQESA-N 0 1 395.401 -1.296 20 0 GAADMN COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001579450423 1075630718 /nfs/dbraw/zinc/63/07/18/1075630718.db2.gz MXFWVBGECMARAI-MRVPVSSYSA-N 0 1 384.374 -1.098 20 0 GAADMN COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001579450424 1075630559 /nfs/dbraw/zinc/63/05/59/1075630559.db2.gz MXFWVBGECMARAI-QMMMGPOBSA-N 0 1 384.374 -1.098 20 0 GAADMN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001579450511 1075630587 /nfs/dbraw/zinc/63/05/87/1075630587.db2.gz REAFPBCPDLDVMO-BDAKNGLRSA-N 0 1 377.365 -1.701 20 0 GAADMN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001579450512 1075630689 /nfs/dbraw/zinc/63/06/89/1075630689.db2.gz REAFPBCPDLDVMO-DTWKUNHWSA-N 0 1 377.365 -1.701 20 0 GAADMN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001579450513 1075630573 /nfs/dbraw/zinc/63/05/73/1075630573.db2.gz REAFPBCPDLDVMO-IUCAKERBSA-N 0 1 377.365 -1.701 20 0 GAADMN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001579450514 1075630674 /nfs/dbraw/zinc/63/06/74/1075630674.db2.gz REAFPBCPDLDVMO-RKDXNWHRSA-N 0 1 377.365 -1.701 20 0 GAADMN COC(=O)NCC(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579455056 1075631058 /nfs/dbraw/zinc/63/10/58/1075631058.db2.gz KOQVMXLHKSVRCD-UHFFFAOYSA-N 0 1 378.393 -1.419 20 0 GAADMN COC(=O)NCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579455114 1075631038 /nfs/dbraw/zinc/63/10/38/1075631038.db2.gz MLNLZUOSQNBBON-JTQLQIEISA-N 0 1 378.393 -1.421 20 0 GAADMN COC(=O)NCC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579455115 1075631023 /nfs/dbraw/zinc/63/10/23/1075631023.db2.gz MLNLZUOSQNBBON-SNVBAGLBSA-N 0 1 378.393 -1.421 20 0 GAADMN COC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579455330 1075630963 /nfs/dbraw/zinc/63/09/63/1075630963.db2.gz RJQNCZWJEZMCFD-SECBINFHSA-N 0 1 379.381 -1.732 20 0 GAADMN COC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579455332 1075631421 /nfs/dbraw/zinc/63/14/21/1075631421.db2.gz RJQNCZWJEZMCFD-VIFPVBQESA-N 0 1 379.381 -1.732 20 0 GAADMN COC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001579455395 1075631506 /nfs/dbraw/zinc/63/15/06/1075631506.db2.gz SBRAKMXXXNGRDG-JTQLQIEISA-N 0 1 378.393 -1.127 20 0 GAADMN COC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001579455397 1075631480 /nfs/dbraw/zinc/63/14/80/1075631480.db2.gz SBRAKMXXXNGRDG-SNVBAGLBSA-N 0 1 378.393 -1.127 20 0 GAADMN COC(=O)NCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001579455635 1075631349 /nfs/dbraw/zinc/63/13/49/1075631349.db2.gz UVMKYMMFGAQZEJ-NXEZZACHSA-N 0 1 375.393 -1.059 20 0 GAADMN COC(=O)NCC(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579455636 1075631365 /nfs/dbraw/zinc/63/13/65/1075631365.db2.gz UVMKYMMFGAQZEJ-UWVGGRQHSA-N 0 1 375.393 -1.059 20 0 GAADMN COC(=O)NCC(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579455637 1075631527 /nfs/dbraw/zinc/63/15/27/1075631527.db2.gz UVMKYMMFGAQZEJ-VHSXEESVSA-N 0 1 375.393 -1.059 20 0 GAADMN COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579455638 1075631543 /nfs/dbraw/zinc/63/15/43/1075631543.db2.gz UVMKYMMFGAQZEJ-ZJUUUORDSA-N 0 1 375.393 -1.059 20 0 GAADMN COC(=O)NCC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579458893 1075631767 /nfs/dbraw/zinc/63/17/67/1075631767.db2.gz QMWMMWGGCWOUIR-JTQLQIEISA-N 0 1 376.377 -1.321 20 0 GAADMN COC(=O)NCC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001579458894 1075631745 /nfs/dbraw/zinc/63/17/45/1075631745.db2.gz QMWMMWGGCWOUIR-SNVBAGLBSA-N 0 1 376.377 -1.321 20 0 GAADMN COC(=O)NCC(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579458898 1075631755 /nfs/dbraw/zinc/63/17/55/1075631755.db2.gz QRWOZLSARBMQSK-LLVKDONJSA-N 0 1 390.404 -1.013 20 0 GAADMN COC(=O)NCC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579458899 1075631805 /nfs/dbraw/zinc/63/18/05/1075631805.db2.gz QRWOZLSARBMQSK-NSHDSACASA-N 0 1 390.404 -1.013 20 0 GAADMN COC(=O)NCC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579459017 1075631835 /nfs/dbraw/zinc/63/18/35/1075631835.db2.gz XMWRVWZEHHXIKV-JTQLQIEISA-N 0 1 391.392 -1.536 20 0 GAADMN COC(=O)NCC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579459018 1075631817 /nfs/dbraw/zinc/63/18/17/1075631817.db2.gz XMWRVWZEHHXIKV-SNVBAGLBSA-N 0 1 391.392 -1.536 20 0 GAADMN COC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579459150 1075632159 /nfs/dbraw/zinc/63/21/59/1075632159.db2.gz ZEODQXOXSIVDAF-NXEZZACHSA-N 0 1 391.392 -1.538 20 0 GAADMN COC(=O)NCC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579459151 1075632186 /nfs/dbraw/zinc/63/21/86/1075632186.db2.gz ZEODQXOXSIVDAF-UWVGGRQHSA-N 0 1 391.392 -1.538 20 0 GAADMN COC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579459152 1075632110 /nfs/dbraw/zinc/63/21/10/1075632110.db2.gz ZEODQXOXSIVDAF-VHSXEESVSA-N 0 1 391.392 -1.538 20 0 GAADMN COC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579459153 1075632214 /nfs/dbraw/zinc/63/22/14/1075632214.db2.gz ZEODQXOXSIVDAF-ZJUUUORDSA-N 0 1 391.392 -1.538 20 0 GAADMN COC(=O)NCC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001579460850 1075632139 /nfs/dbraw/zinc/63/21/39/1075632139.db2.gz STQGTQGLKZVVEX-UHFFFAOYSA-N 0 1 391.392 -1.488 20 0 GAADMN COC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001579461023 1075632103 /nfs/dbraw/zinc/63/21/03/1075632103.db2.gz AQCYHCATSCQKRT-LLVKDONJSA-N 0 1 381.368 -1.072 20 0 GAADMN COC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001579461025 1075632201 /nfs/dbraw/zinc/63/22/01/1075632201.db2.gz AQCYHCATSCQKRT-NSHDSACASA-N 0 1 381.368 -1.072 20 0 GAADMN COC(=O)NCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579461377 1075632604 /nfs/dbraw/zinc/63/26/04/1075632604.db2.gz FYQIIXWWENAWNO-HNNXBMFYSA-N 0 1 391.392 -1.276 20 0 GAADMN COC(=O)NCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579461378 1075632618 /nfs/dbraw/zinc/63/26/18/1075632618.db2.gz FYQIIXWWENAWNO-OAHLLOKOSA-N 0 1 391.392 -1.276 20 0 GAADMN COC(=O)NCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579461386 1075632515 /nfs/dbraw/zinc/63/25/15/1075632515.db2.gz GCAKEJGTKFFYNS-AAEUAGOBSA-N 0 1 390.404 -1.018 20 0 GAADMN COC(=O)NCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001579461387 1075632539 /nfs/dbraw/zinc/63/25/39/1075632539.db2.gz GCAKEJGTKFFYNS-DGCLKSJQSA-N 0 1 390.404 -1.018 20 0 GAADMN COC(=O)NCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001579461388 1075632546 /nfs/dbraw/zinc/63/25/46/1075632546.db2.gz GCAKEJGTKFFYNS-WCQYABFASA-N 0 1 390.404 -1.018 20 0 GAADMN COC(=O)NCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579461389 1075632567 /nfs/dbraw/zinc/63/25/67/1075632567.db2.gz GCAKEJGTKFFYNS-YPMHNXCESA-N 0 1 390.404 -1.018 20 0 GAADMN COC(=O)NCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579461776 1075633323 /nfs/dbraw/zinc/63/33/23/1075633323.db2.gz OEFOPUHTZZXEMC-INIZCTEOSA-N 0 1 390.404 -1.016 20 0 GAADMN COC(=O)NCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001579461777 1075633258 /nfs/dbraw/zinc/63/32/58/1075633258.db2.gz OEFOPUHTZZXEMC-MRXNPFEDSA-N 0 1 390.404 -1.016 20 0 GAADMN COC(=O)NCC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579462072 1075633282 /nfs/dbraw/zinc/63/32/82/1075633282.db2.gz VASUHQDDAYVSHV-JTQLQIEISA-N 0 1 381.368 -1.072 20 0 GAADMN COC(=O)NCC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579462073 1075633250 /nfs/dbraw/zinc/63/32/50/1075633250.db2.gz VASUHQDDAYVSHV-SNVBAGLBSA-N 0 1 381.368 -1.072 20 0 GAADMN COC(=O)NCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001579462339 1075633695 /nfs/dbraw/zinc/63/36/95/1075633695.db2.gz BWFIGKCWCOZTGD-JTQLQIEISA-N 0 1 391.392 -1.276 20 0 GAADMN COC(=O)NCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001579462340 1075633595 /nfs/dbraw/zinc/63/35/95/1075633595.db2.gz BWFIGKCWCOZTGD-SNVBAGLBSA-N 0 1 391.392 -1.276 20 0 GAADMN COC(=O)NCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579462368 1075633559 /nfs/dbraw/zinc/63/35/59/1075633559.db2.gz CPXTUBONGGCYHB-UHFFFAOYSA-N 0 1 390.408 -1.749 20 0 GAADMN COC(=O)NCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579463020 1075634519 /nfs/dbraw/zinc/63/45/19/1075634519.db2.gz PWLKODANKGGBKH-SECBINFHSA-N 0 1 377.365 -1.666 20 0 GAADMN COC(=O)NCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579463021 1075634466 /nfs/dbraw/zinc/63/44/66/1075634466.db2.gz PWLKODANKGGBKH-VIFPVBQESA-N 0 1 377.365 -1.666 20 0 GAADMN COC(=O)NCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579463475 1075634367 /nfs/dbraw/zinc/63/43/67/1075634367.db2.gz STXYYZKFHWZHQW-SECBINFHSA-N 0 1 377.365 -1.666 20 0 GAADMN COC(=O)NCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001579463476 1075634477 /nfs/dbraw/zinc/63/44/77/1075634477.db2.gz STXYYZKFHWZHQW-VIFPVBQESA-N 0 1 377.365 -1.666 20 0 GAADMN COC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579464157 1075634942 /nfs/dbraw/zinc/63/49/42/1075634942.db2.gz BGXFRZMKDMDWII-PWSUYJOCSA-N 0 1 376.377 -1.408 20 0 GAADMN COC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001579464158 1075634751 /nfs/dbraw/zinc/63/47/51/1075634751.db2.gz BGXFRZMKDMDWII-ZYHUDNBSSA-N 0 1 376.377 -1.408 20 0 GAADMN COC(=O)NCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001579464514 1075635246 /nfs/dbraw/zinc/63/52/46/1075635246.db2.gz OSBCVTMVUJOBAZ-CHWSQXEVSA-N 0 1 375.389 -1.116 20 0 GAADMN COC(=O)NCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001579464515 1075635271 /nfs/dbraw/zinc/63/52/71/1075635271.db2.gz OSBCVTMVUJOBAZ-OLZOCXBDSA-N 0 1 375.389 -1.116 20 0 GAADMN COC(=O)NCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001579464630 1075635315 /nfs/dbraw/zinc/63/53/15/1075635315.db2.gz WTOXKRFJAJUORH-CHWSQXEVSA-N 0 1 375.389 -1.116 20 0 GAADMN COC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001579464663 1075635134 /nfs/dbraw/zinc/63/51/34/1075635134.db2.gz YQWPTAUVCYQXKU-RKDXNWHRSA-N 0 1 377.365 -1.668 20 0 GAADMN COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001579472703 1075635606 /nfs/dbraw/zinc/63/56/06/1075635606.db2.gz FAAQWXAAWUCYLK-YUMQZZPRSA-N 0 1 383.390 -1.394 20 0 GAADMN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001579474871 1075636127 /nfs/dbraw/zinc/63/61/27/1075636127.db2.gz YWUGYEDQFQBRDD-VIFPVBQESA-N 0 1 379.381 -1.722 20 0 GAADMN CO[C@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@@H]1CCOC1 ZINC001579497826 1075636087 /nfs/dbraw/zinc/63/60/87/1075636087.db2.gz DXBQDCHNOGYJTF-DOMZBBRYSA-N 0 1 391.432 -1.032 20 0 GAADMN CO[C@@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@@H]1CCOC1 ZINC001579497828 1075636545 /nfs/dbraw/zinc/63/65/45/1075636545.db2.gz DXBQDCHNOGYJTF-IUODEOHRSA-N 0 1 391.432 -1.032 20 0 GAADMN CO[C@@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@H]1CCOC1 ZINC001579497830 1075636518 /nfs/dbraw/zinc/63/65/18/1075636518.db2.gz DXBQDCHNOGYJTF-SWLSCSKDSA-N 0 1 391.432 -1.032 20 0 GAADMN CO[C@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@H]1CCOC1 ZINC001579497832 1075636513 /nfs/dbraw/zinc/63/65/13/1075636513.db2.gz DXBQDCHNOGYJTF-WFASDCNBSA-N 0 1 391.432 -1.032 20 0 GAADMN CO[C@@H](C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515147 1075636806 /nfs/dbraw/zinc/63/68/06/1075636806.db2.gz AEKBXYQKOOSWBB-BXUZGUMPSA-N 0 1 387.404 -1.306 20 0 GAADMN CO[C@H](C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515148 1075636922 /nfs/dbraw/zinc/63/69/22/1075636922.db2.gz AEKBXYQKOOSWBB-FZMZJTMJSA-N 0 1 387.404 -1.306 20 0 GAADMN CO[C@H](C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515149 1075636879 /nfs/dbraw/zinc/63/68/79/1075636879.db2.gz AEKBXYQKOOSWBB-RISCZKNCSA-N 0 1 387.404 -1.306 20 0 GAADMN CO[C@@H](C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515150 1075636937 /nfs/dbraw/zinc/63/69/37/1075636937.db2.gz AEKBXYQKOOSWBB-SMDDNHRTSA-N 0 1 387.404 -1.306 20 0 GAADMN CO[C@@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515813 1075636947 /nfs/dbraw/zinc/63/69/47/1075636947.db2.gz GONXQGBACRPANU-BXUZGUMPSA-N 0 1 387.404 -1.306 20 0 GAADMN CO[C@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515815 1075637204 /nfs/dbraw/zinc/63/72/04/1075637204.db2.gz GONXQGBACRPANU-FZMZJTMJSA-N 0 1 387.404 -1.306 20 0 GAADMN CO[C@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515817 1075637295 /nfs/dbraw/zinc/63/72/95/1075637295.db2.gz GONXQGBACRPANU-RISCZKNCSA-N 0 1 387.404 -1.306 20 0 GAADMN CO[C@@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515818 1075637161 /nfs/dbraw/zinc/63/71/61/1075637161.db2.gz GONXQGBACRPANU-SMDDNHRTSA-N 0 1 387.404 -1.306 20 0 GAADMN CO[C@@H](C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001579517534 1075637189 /nfs/dbraw/zinc/63/71/89/1075637189.db2.gz NWAFFWJNKXDQMV-CMPLNLGQSA-N 0 1 388.392 -1.911 20 0 GAADMN CO[C@H](C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001579517535 1075637142 /nfs/dbraw/zinc/63/71/42/1075637142.db2.gz NWAFFWJNKXDQMV-JQWIXIFHSA-N 0 1 388.392 -1.911 20 0 GAADMN CO[C@H](C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001579517536 1075637236 /nfs/dbraw/zinc/63/72/36/1075637236.db2.gz NWAFFWJNKXDQMV-PWSUYJOCSA-N 0 1 388.392 -1.911 20 0 GAADMN CO[C@@H](C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001579517537 1075637305 /nfs/dbraw/zinc/63/73/05/1075637305.db2.gz NWAFFWJNKXDQMV-ZYHUDNBSSA-N 0 1 388.392 -1.911 20 0 GAADMN CO[C@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001579582616 1075638049 /nfs/dbraw/zinc/63/80/49/1075638049.db2.gz JRCNUNLFQZMVBZ-HTQZYQBOSA-N 0 1 390.326 -1.065 20 0 GAADMN CO[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001579582617 1075637936 /nfs/dbraw/zinc/63/79/36/1075637936.db2.gz JRCNUNLFQZMVBZ-JGVFFNPUSA-N 0 1 390.326 -1.065 20 0 GAADMN CO[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001579582618 1075638014 /nfs/dbraw/zinc/63/80/14/1075638014.db2.gz JRCNUNLFQZMVBZ-SFYZADRCSA-N 0 1 390.326 -1.065 20 0 GAADMN CO[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001579582619 1075637949 /nfs/dbraw/zinc/63/79/49/1075637949.db2.gz JRCNUNLFQZMVBZ-YUMQZZPRSA-N 0 1 390.326 -1.065 20 0 GAADMN CO[C@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001579583910 1075638003 /nfs/dbraw/zinc/63/80/03/1075638003.db2.gz WOPIZDMSVAQTAY-HTQZYQBOSA-N 0 1 390.326 -1.065 20 0 GAADMN CO[C@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001579583911 1075638028 /nfs/dbraw/zinc/63/80/28/1075638028.db2.gz WOPIZDMSVAQTAY-JGVFFNPUSA-N 0 1 390.326 -1.065 20 0 GAADMN CO[C@@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001579583912 1075637965 /nfs/dbraw/zinc/63/79/65/1075637965.db2.gz WOPIZDMSVAQTAY-SFYZADRCSA-N 0 1 390.326 -1.065 20 0 GAADMN CO[C@@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001579583913 1075637927 /nfs/dbraw/zinc/63/79/27/1075637927.db2.gz WOPIZDMSVAQTAY-YUMQZZPRSA-N 0 1 390.326 -1.065 20 0 GAADMN COC1(c2cnnn2C)CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001579602575 1075638399 /nfs/dbraw/zinc/63/83/99/1075638399.db2.gz NQXVZZOTTRMZGF-UHFFFAOYSA-N 0 1 377.390 -1.064 20 0 GAADMN CO[C@@]1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCS(=O)(=O)C1 ZINC001579602788 1075638379 /nfs/dbraw/zinc/63/83/79/1075638379.db2.gz USBNMQZZWXAEEQ-GFCCVEGCSA-N 0 1 385.410 -2.039 20 0 GAADMN CO[C@]1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCS(=O)(=O)C1 ZINC001579602789 1075638394 /nfs/dbraw/zinc/63/83/94/1075638394.db2.gz USBNMQZZWXAEEQ-LBPRGKRZSA-N 0 1 385.410 -2.039 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579620372 1075639078 /nfs/dbraw/zinc/63/90/78/1075639078.db2.gz ANWFTBYDSHDRQV-JTQLQIEISA-N 0 1 377.409 -1.558 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579620373 1075639152 /nfs/dbraw/zinc/63/91/52/1075639152.db2.gz ANWFTBYDSHDRQV-SNVBAGLBSA-N 0 1 377.409 -1.558 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@@H](C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579620406 1075639163 /nfs/dbraw/zinc/63/91/63/1075639163.db2.gz CATXXRTYISDZRL-JTQLQIEISA-N 0 1 377.409 -1.510 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@H](C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579620407 1075639014 /nfs/dbraw/zinc/63/90/14/1075639014.db2.gz CATXXRTYISDZRL-SNVBAGLBSA-N 0 1 377.409 -1.510 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579620412 1075639003 /nfs/dbraw/zinc/63/90/03/1075639003.db2.gz CDSVBUIKGVYPHE-JTQLQIEISA-N 0 1 375.393 -1.804 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579620413 1075638973 /nfs/dbraw/zinc/63/89/73/1075638973.db2.gz CDSVBUIKGVYPHE-SNVBAGLBSA-N 0 1 375.393 -1.804 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579620441 1075639426 /nfs/dbraw/zinc/63/94/26/1075639426.db2.gz DATRBJMCOAVLDJ-INIZCTEOSA-N 0 1 389.420 -1.154 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579620442 1075639513 /nfs/dbraw/zinc/63/95/13/1075639513.db2.gz DATRBJMCOAVLDJ-MRXNPFEDSA-N 0 1 389.420 -1.154 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579620473 1075639531 /nfs/dbraw/zinc/63/95/31/1075639531.db2.gz FBBFKEYXBFEZON-UHFFFAOYSA-N 0 1 389.420 -1.414 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620570 1075640317 /nfs/dbraw/zinc/64/03/17/1075640317.db2.gz HXDQNTAYHAKYST-JTQLQIEISA-N 0 1 377.409 -1.558 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620571 1075640349 /nfs/dbraw/zinc/64/03/49/1075640349.db2.gz HXDQNTAYHAKYST-SNVBAGLBSA-N 0 1 377.409 -1.558 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620618 1075640775 /nfs/dbraw/zinc/64/07/75/1075640775.db2.gz JVXHPYMZEKVVAU-GHMZBOCLSA-N 0 1 391.436 -1.121 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620619 1075640706 /nfs/dbraw/zinc/64/07/06/1075640706.db2.gz JVXHPYMZEKVVAU-MNOVXSKESA-N 0 1 391.436 -1.121 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620620 1075640728 /nfs/dbraw/zinc/64/07/28/1075640728.db2.gz JVXHPYMZEKVVAU-QWRGUYRKSA-N 0 1 391.436 -1.121 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620621 1075640813 /nfs/dbraw/zinc/64/08/13/1075640813.db2.gz JVXHPYMZEKVVAU-WDEREUQCSA-N 0 1 391.436 -1.121 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620624 1075640741 /nfs/dbraw/zinc/64/07/41/1075640741.db2.gz KCDMJEBHQLRVHD-NXEZZACHSA-N 0 1 377.409 -1.512 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620625 1075640792 /nfs/dbraw/zinc/64/07/92/1075640792.db2.gz KCDMJEBHQLRVHD-UWVGGRQHSA-N 0 1 377.409 -1.512 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620626 1075640735 /nfs/dbraw/zinc/64/07/35/1075640735.db2.gz KCDMJEBHQLRVHD-VHSXEESVSA-N 0 1 377.409 -1.512 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579620627 1075640799 /nfs/dbraw/zinc/64/07/99/1075640799.db2.gz KCDMJEBHQLRVHD-ZJUUUORDSA-N 0 1 377.409 -1.512 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579620665 1075640755 /nfs/dbraw/zinc/64/07/55/1075640755.db2.gz LGKOBAVUIATOMD-LLVKDONJSA-N 0 1 389.420 -1.201 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579620666 1075640804 /nfs/dbraw/zinc/64/08/04/1075640804.db2.gz LGKOBAVUIATOMD-NSHDSACASA-N 0 1 389.420 -1.201 20 0 GAADMN COCC(=O)N(C)CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579620682 1075641245 /nfs/dbraw/zinc/64/12/45/1075641245.db2.gz LUZSQWQJRIXMDP-UHFFFAOYSA-N 0 1 389.420 -1.154 20 0 GAADMN COCC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579620698 1075641170 /nfs/dbraw/zinc/64/11/70/1075641170.db2.gz MOLTYSZVHQZKTK-JTQLQIEISA-N 0 1 377.409 -1.298 20 0 GAADMN COCC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579620699 1075641225 /nfs/dbraw/zinc/64/12/25/1075641225.db2.gz MOLTYSZVHQZKTK-SNVBAGLBSA-N 0 1 377.409 -1.298 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001579620725 1075641128 /nfs/dbraw/zinc/64/11/28/1075641128.db2.gz NDHFPMJSCKPSFN-LLVKDONJSA-N 0 1 392.420 -1.980 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001579620726 1075641535 /nfs/dbraw/zinc/64/15/35/1075641535.db2.gz NDHFPMJSCKPSFN-NSHDSACASA-N 0 1 392.420 -1.980 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579620779 1075641590 /nfs/dbraw/zinc/64/15/90/1075641590.db2.gz OOXXCSAJYNYPPR-UHFFFAOYSA-N 0 1 375.393 -1.590 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579620857 1075641996 /nfs/dbraw/zinc/64/19/96/1075641996.db2.gz RDUFRDMFXIAACW-JTQLQIEISA-N 0 1 377.409 -1.298 20 0 GAADMN COCC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579620858 1075642040 /nfs/dbraw/zinc/64/20/40/1075642040.db2.gz RDUFRDMFXIAACW-SNVBAGLBSA-N 0 1 377.409 -1.298 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001579620859 1075641978 /nfs/dbraw/zinc/64/19/78/1075641978.db2.gz REEDLVQHCUHIBE-GHMZBOCLSA-N 0 1 389.420 -1.415 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001579620860 1075642034 /nfs/dbraw/zinc/64/20/34/1075642034.db2.gz REEDLVQHCUHIBE-MNOVXSKESA-N 0 1 389.420 -1.415 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001579620861 1075641945 /nfs/dbraw/zinc/64/19/45/1075641945.db2.gz REEDLVQHCUHIBE-QWRGUYRKSA-N 0 1 389.420 -1.415 20 0 GAADMN 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ZINC001579712977 1075660871 /nfs/dbraw/zinc/66/08/71/1075660871.db2.gz JREDJCABLOIALG-ZUZCIYMTSA-N 0 1 378.393 -1.625 20 0 GAADMN COC[C@@H](OC)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579713541 1075661234 /nfs/dbraw/zinc/66/12/34/1075661234.db2.gz OFIIUXVRQYUUHX-GHMZBOCLSA-N 0 1 378.393 -1.361 20 0 GAADMN COC[C@H](OC)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579713542 1075661311 /nfs/dbraw/zinc/66/13/11/1075661311.db2.gz OFIIUXVRQYUUHX-MNOVXSKESA-N 0 1 378.393 -1.361 20 0 GAADMN COC[C@H](OC)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579713543 1075661206 /nfs/dbraw/zinc/66/12/06/1075661206.db2.gz OFIIUXVRQYUUHX-QWRGUYRKSA-N 0 1 378.393 -1.361 20 0 GAADMN COC[C@@H](OC)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001579713544 1075661830 /nfs/dbraw/zinc/66/18/30/1075661830.db2.gz OFIIUXVRQYUUHX-WDEREUQCSA-N 0 1 378.393 -1.361 20 0 GAADMN COC[C@H](OC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001579714000 1075661738 /nfs/dbraw/zinc/66/17/38/1075661738.db2.gz VQHCVHLZVJBAAM-BNOWGMLFSA-N 0 1 377.405 -1.103 20 0 GAADMN COC[C@@H](OC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579714001 1075661702 /nfs/dbraw/zinc/66/17/02/1075661702.db2.gz VQHCVHLZVJBAAM-KWCYVHTRSA-N 0 1 377.405 -1.103 20 0 GAADMN COC[C@@H](OC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001579714002 1075661671 /nfs/dbraw/zinc/66/16/71/1075661671.db2.gz VQHCVHLZVJBAAM-MRVWCRGKSA-N 0 1 377.405 -1.103 20 0 GAADMN COC[C@H](OC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579714003 1075661757 /nfs/dbraw/zinc/66/17/57/1075661757.db2.gz VQHCVHLZVJBAAM-XBFCOCLRSA-N 0 1 377.405 -1.103 20 0 GAADMN COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001579714266 1075662290 /nfs/dbraw/zinc/66/22/90/1075662290.db2.gz YDGZHUXQGPUOFC-GMTAPVOTSA-N 0 1 378.393 -1.362 20 0 GAADMN COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001579714269 1075662278 /nfs/dbraw/zinc/66/22/78/1075662278.db2.gz YDGZHUXQGPUOFC-MXWKQRLJSA-N 0 1 378.393 -1.362 20 0 GAADMN COC[C@@H](OC)C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579714416 1075662174 /nfs/dbraw/zinc/66/21/74/1075662174.db2.gz WHVVTFBIJYAWQA-GFCCVEGCSA-N 0 1 391.436 -1.444 20 0 GAADMN COC[C@H](OC)C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579714417 1075662107 /nfs/dbraw/zinc/66/21/07/1075662107.db2.gz WHVVTFBIJYAWQA-LBPRGKRZSA-N 0 1 391.436 -1.444 20 0 GAADMN COCC1(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001579728831 1075663010 /nfs/dbraw/zinc/66/30/10/1075663010.db2.gz FFWDPHCJUDKNBQ-LLVKDONJSA-N 0 1 392.420 -1.589 20 0 GAADMN COCC1(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001579728832 1075662929 /nfs/dbraw/zinc/66/29/29/1075662929.db2.gz FFWDPHCJUDKNBQ-NSHDSACASA-N 0 1 392.420 -1.589 20 0 GAADMN COCC1(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001579729075 1075662967 /nfs/dbraw/zinc/66/29/67/1075662967.db2.gz IUVVQCPPBHZFFP-LLVKDONJSA-N 0 1 392.420 -1.589 20 0 GAADMN COCC1(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001579729076 1075662911 /nfs/dbraw/zinc/66/29/11/1075662911.db2.gz IUVVQCPPBHZFFP-NSHDSACASA-N 0 1 392.420 -1.589 20 0 GAADMN COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)O1 ZINC001579747597 1075663396 /nfs/dbraw/zinc/66/33/96/1075663396.db2.gz PYOVSAJLPWKBHB-QJPTWQEYSA-N 0 1 378.393 -1.120 20 0 GAADMN COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)O1 ZINC001579747601 1075663571 /nfs/dbraw/zinc/66/35/71/1075663571.db2.gz PYOVSAJLPWKBHB-SDDRHHMPSA-N 0 1 378.393 -1.120 20 0 GAADMN COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)O1 ZINC001579747604 1075663543 /nfs/dbraw/zinc/66/35/43/1075663543.db2.gz PYOVSAJLPWKBHB-SRVKXCTJSA-N 0 1 378.393 -1.120 20 0 GAADMN COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)O1 ZINC001579747608 1075663531 /nfs/dbraw/zinc/66/35/31/1075663531.db2.gz PYOVSAJLPWKBHB-TUAOUCFPSA-N 0 1 378.393 -1.120 20 0 GAADMN COCCC(=O)N1CCC(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001579752417 1075663328 /nfs/dbraw/zinc/66/33/28/1075663328.db2.gz DQLAKTXKGYEGDH-UHFFFAOYSA-N 0 1 392.424 -1.215 20 0 GAADMN COCCC1(NC(=O)C(N)=O)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579786375 1075663412 /nfs/dbraw/zinc/66/34/12/1075663412.db2.gz VYNAKGYWLYCJDD-UHFFFAOYSA-N 0 1 375.393 -1.366 20 0 GAADMN COCCC[N@@H+](C)CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001579787847 1075663515 /nfs/dbraw/zinc/66/35/15/1075663515.db2.gz QELPWLGROBNSAO-UHFFFAOYSA-N 0 1 395.424 -1.604 20 0 GAADMN COCCC[N@H+](C)CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001579787847 1075663512 /nfs/dbraw/zinc/66/35/12/1075663512.db2.gz QELPWLGROBNSAO-UHFFFAOYSA-N 0 1 395.424 -1.604 20 0 GAADMN COCCC[N@@H+](C)CCNC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001579787847 1075663507 /nfs/dbraw/zinc/66/35/07/1075663507.db2.gz QELPWLGROBNSAO-UHFFFAOYSA-N 0 1 395.424 -1.604 20 0 GAADMN COCC[N@@H+](C)CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001579790833 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1075665199 /nfs/dbraw/zinc/66/51/99/1075665199.db2.gz RJFDELYRZPVOTB-UHFFFAOYSA-N 0 1 391.436 -1.442 20 0 GAADMN COCCN(CCNC(=O)[C@H]1COC(=O)N1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579799160 1075666426 /nfs/dbraw/zinc/66/64/26/1075666426.db2.gz IVIWZUSEVZYOLC-SECBINFHSA-N 0 1 377.365 -1.666 20 0 GAADMN COCCN(CCNC(=O)[C@@H]1COC(=O)N1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579799161 1075666470 /nfs/dbraw/zinc/66/64/70/1075666470.db2.gz IVIWZUSEVZYOLC-VIFPVBQESA-N 0 1 377.365 -1.666 20 0 GAADMN COCCN(CCNC(=O)[C@H]1COCCO1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579799219 1075666512 /nfs/dbraw/zinc/66/65/12/1075666512.db2.gz KFHYTWDPPHYHOX-LLVKDONJSA-N 0 1 378.393 -1.359 20 0 GAADMN COCCN(CCNC(=O)[C@@H]1COCCO1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579799220 1075666497 /nfs/dbraw/zinc/66/64/97/1075666497.db2.gz KFHYTWDPPHYHOX-NSHDSACASA-N 0 1 378.393 -1.359 20 0 GAADMN COCCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579799398 1075666832 /nfs/dbraw/zinc/66/68/32/1075666832.db2.gz PDINSTPRSHYTLG-JTQLQIEISA-N 0 1 390.408 -1.751 20 0 GAADMN COCCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579799399 1075666917 /nfs/dbraw/zinc/66/69/17/1075666917.db2.gz PDINSTPRSHYTLG-SNVBAGLBSA-N 0 1 390.408 -1.751 20 0 GAADMN COCCN(CCNC(=O)C1CN(C(C)=O)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579799518 1075667392 /nfs/dbraw/zinc/66/73/92/1075667392.db2.gz SMEKSAJOBYPEOT-UHFFFAOYSA-N 0 1 389.420 -1.296 20 0 GAADMN COCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579799660 1075667419 /nfs/dbraw/zinc/66/74/19/1075667419.db2.gz WSZWVXFKUQSKOL-GFCCVEGCSA-N 0 1 389.420 -1.179 20 0 GAADMN COCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001579799661 1075667203 /nfs/dbraw/zinc/66/72/03/1075667203.db2.gz WSZWVXFKUQSKOL-LBPRGKRZSA-N 0 1 389.420 -1.179 20 0 GAADMN COCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579799665 1075667261 /nfs/dbraw/zinc/66/72/61/1075667261.db2.gz WXGVWHVYMGUVGH-SECBINFHSA-N 0 1 376.381 -2.093 20 0 GAADMN 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1075671321 /nfs/dbraw/zinc/67/13/21/1075671321.db2.gz FWPVBLCIIPRLAH-UHFFFAOYSA-N 0 1 383.434 -1.125 20 0 GAADMN COCCS(=O)(=O)CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001579814792 1075671156 /nfs/dbraw/zinc/67/11/56/1075671156.db2.gz JBBOLJFQWNFLIC-UHFFFAOYSA-N 0 1 384.422 -1.730 20 0 GAADMN COCCS(=O)(=O)CC(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579815008 1075671616 /nfs/dbraw/zinc/67/16/16/1075671616.db2.gz JZXNVSSKPHGKHV-JTQLQIEISA-N 0 1 383.434 -1.339 20 0 GAADMN COCCS(=O)(=O)CC(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001579815009 1075671596 /nfs/dbraw/zinc/67/15/96/1075671596.db2.gz JZXNVSSKPHGKHV-SNVBAGLBSA-N 0 1 383.434 -1.339 20 0 GAADMN COCCS(=O)(=O)CC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579815085 1075671631 /nfs/dbraw/zinc/67/16/31/1075671631.db2.gz NMRLHAUJLYLXDF-UHFFFAOYSA-N 0 1 384.422 -1.990 20 0 GAADMN COCCS(=O)(=O)CC(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001579815835 1075671608 /nfs/dbraw/zinc/67/16/08/1075671608.db2.gz UKLWKBZDASQLPS-UHFFFAOYSA-N 0 1 383.434 -1.385 20 0 GAADMN COCCS(=O)(=O)CC(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579815842 1075671681 /nfs/dbraw/zinc/67/16/81/1075671681.db2.gz UMOMPMZWILCTBQ-JTQLQIEISA-N 0 1 383.434 -1.339 20 0 GAADMN COCCS(=O)(=O)CC(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001579815843 1075671648 /nfs/dbraw/zinc/67/16/48/1075671648.db2.gz UMOMPMZWILCTBQ-SNVBAGLBSA-N 0 1 383.434 -1.339 20 0 GAADMN COCCS(=O)(=O)CC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579815902 1075671611 /nfs/dbraw/zinc/67/16/11/1075671611.db2.gz WWTHRINGYPLEOE-SECBINFHSA-N 0 1 384.422 -1.944 20 0 GAADMN COCCS(=O)(=O)CC(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579815904 1075671642 /nfs/dbraw/zinc/67/16/42/1075671642.db2.gz WWTHRINGYPLEOE-VIFPVBQESA-N 0 1 384.422 -1.944 20 0 GAADMN COCCS(=O)(=O)CC(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579816185 1075672021 /nfs/dbraw/zinc/67/20/21/1075672021.db2.gz ZNXSZGBFURELTQ-VIFPVBQESA-N 0 1 384.422 -1.944 20 0 GAADMN COCCOCCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579817006 1075672463 /nfs/dbraw/zinc/67/24/63/1075672463.db2.gz MYUBPHLJHHVFDF-GFCCVEGCSA-N 0 1 392.420 -1.229 20 0 GAADMN COCCOCCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001579817007 1075672457 /nfs/dbraw/zinc/67/24/57/1075672457.db2.gz MYUBPHLJHHVFDF-LBPRGKRZSA-N 0 1 392.420 -1.229 20 0 GAADMN COCCOC[C@H](O)CN1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001579817052 1075672407 /nfs/dbraw/zinc/67/24/07/1075672407.db2.gz NWKVMNGGQLNAPG-BNOWGMLFSA-N 0 1 395.420 -2.006 20 0 GAADMN COCCOC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579817053 1075672431 /nfs/dbraw/zinc/67/24/31/1075672431.db2.gz NWKVMNGGQLNAPG-IACUBPJLSA-N 0 1 395.420 -2.006 20 0 GAADMN COCCOC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579817054 1075672413 /nfs/dbraw/zinc/67/24/13/1075672413.db2.gz NWKVMNGGQLNAPG-MRVWCRGKSA-N 0 1 395.420 -2.006 20 0 GAADMN COCCOC[C@@H](O)CN1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001579817055 1075672517 /nfs/dbraw/zinc/67/25/17/1075672517.db2.gz NWKVMNGGQLNAPG-YUTCNCBUSA-N 0 1 395.420 -2.006 20 0 GAADMN COCCOC1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001579817059 1075672451 /nfs/dbraw/zinc/67/24/51/1075672451.db2.gz NYMZSAKXQHXJAV-UHFFFAOYSA-N 0 1 395.424 -1.030 20 0 GAADMN COCCOCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001579817102 1075672511 /nfs/dbraw/zinc/67/25/11/1075672511.db2.gz PCMLOWHJPIFDNZ-OCCSQVGLSA-N 0 1 377.405 -1.101 20 0 GAADMN COCCOCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001579817250 1075672488 /nfs/dbraw/zinc/67/24/88/1075672488.db2.gz VZUAKRHHKYNCLW-GHMZBOCLSA-N 0 1 378.393 -1.625 20 0 GAADMN COCCOC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579817271 1075672483 /nfs/dbraw/zinc/67/24/83/1075672483.db2.gz WUSPBXXQINGVSB-LERXQTSPSA-N 0 1 395.420 -2.006 20 0 GAADMN COCCOC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579817295 1075672496 /nfs/dbraw/zinc/67/24/96/1075672496.db2.gz WUSPBXXQINGVSB-ZLKJLUDKSA-N 0 1 395.420 -2.006 20 0 GAADMN COCCn1cc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)nn1 ZINC001579817598 1075672758 /nfs/dbraw/zinc/67/27/58/1075672758.db2.gz IUGIZUOWMKIWJV-UHFFFAOYSA-N 0 1 385.392 -1.143 20 0 GAADMN COCCn1cc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579817754 1075672874 /nfs/dbraw/zinc/67/28/74/1075672874.db2.gz OYINJMRQEQJQGA-JTQLQIEISA-N 0 1 387.408 -1.111 20 0 GAADMN COCCn1cc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579817755 1075672802 /nfs/dbraw/zinc/67/28/02/1075672802.db2.gz OYINJMRQEQJQGA-SNVBAGLBSA-N 0 1 387.408 -1.111 20 0 GAADMN COCCn1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001579817976 1075672892 /nfs/dbraw/zinc/67/28/92/1075672892.db2.gz ZRNPWMHAEOXVLF-SNVBAGLBSA-N 0 1 385.392 -1.357 20 0 GAADMN COCCn1cc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001579818672 1075672820 /nfs/dbraw/zinc/67/28/20/1075672820.db2.gz DOHLEEBSYXOCBT-GFCCVEGCSA-N 0 1 387.404 -1.271 20 0 GAADMN COCCn1cc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001579818673 1075672779 /nfs/dbraw/zinc/67/27/79/1075672779.db2.gz DOHLEEBSYXOCBT-LBPRGKRZSA-N 0 1 387.404 -1.271 20 0 GAADMN COCCn1cc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001579818998 1075672829 /nfs/dbraw/zinc/67/28/29/1075672829.db2.gz GEVPSMFFYXUQBH-GFCCVEGCSA-N 0 1 387.404 -1.271 20 0 GAADMN COCCn1cc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001579818999 1075673099 /nfs/dbraw/zinc/67/30/99/1075673099.db2.gz GEVPSMFFYXUQBH-LBPRGKRZSA-N 0 1 387.404 -1.271 20 0 GAADMN COCCn1cc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)nn1 ZINC001579819007 1075673241 /nfs/dbraw/zinc/67/32/41/1075673241.db2.gz GHJQBPALCVDVAT-JTQLQIEISA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1cc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)nn1 ZINC001579819009 1075673095 /nfs/dbraw/zinc/67/30/95/1075673095.db2.gz GHJQBPALCVDVAT-SNVBAGLBSA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1cc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579819053 1075673209 /nfs/dbraw/zinc/67/32/09/1075673209.db2.gz HXEVRHWLAQKIJA-JTQLQIEISA-N 0 1 387.408 -1.063 20 0 GAADMN COCCn1cc(C(=O)NCC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579819054 1075673148 /nfs/dbraw/zinc/67/31/48/1075673148.db2.gz HXEVRHWLAQKIJA-SNVBAGLBSA-N 0 1 387.408 -1.063 20 0 GAADMN COCCn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001579819076 1075673117 /nfs/dbraw/zinc/67/31/17/1075673117.db2.gz IZXVKNHTLKNNON-JTQLQIEISA-N 0 1 385.392 -1.097 20 0 GAADMN COCCn1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001579819077 1075673265 /nfs/dbraw/zinc/67/32/65/1075673265.db2.gz IZXVKNHTLKNNON-SNVBAGLBSA-N 0 1 385.392 -1.097 20 0 GAADMN COCCn1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001579819347 1075673517 /nfs/dbraw/zinc/67/35/17/1075673517.db2.gz LFONWPCYQJTORR-LLVKDONJSA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001579819349 1075673486 /nfs/dbraw/zinc/67/34/86/1075673486.db2.gz LFONWPCYQJTORR-NSHDSACASA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1cc(C(=O)N[C@@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579819870 1075673444 /nfs/dbraw/zinc/67/34/44/1075673444.db2.gz PEFFTZBDHIGMJD-JTQLQIEISA-N 0 1 387.408 -1.063 20 0 GAADMN COCCn1cc(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579819871 1075673541 /nfs/dbraw/zinc/67/35/41/1075673541.db2.gz PEFFTZBDHIGMJD-SNVBAGLBSA-N 0 1 387.408 -1.063 20 0 GAADMN COCCn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001579819892 1075673494 /nfs/dbraw/zinc/67/34/94/1075673494.db2.gz PXVPLJNOTFNAKQ-AOOOYVTPSA-N 0 1 385.392 -1.311 20 0 GAADMN COCCn1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001579819893 1075673527 /nfs/dbraw/zinc/67/35/27/1075673527.db2.gz PXVPLJNOTFNAKQ-MGCOHNPYSA-N 0 1 385.392 -1.311 20 0 GAADMN COCCn1cc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)nn1 ZINC001579819894 1075673910 /nfs/dbraw/zinc/67/39/10/1075673910.db2.gz PXVWKTMITVIVOO-UHFFFAOYSA-N 0 1 385.392 -1.309 20 0 GAADMN COCCn1cc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001579819901 1075673954 /nfs/dbraw/zinc/67/39/54/1075673954.db2.gz QPFCTPNLJJYCPW-LLVKDONJSA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1cc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001579819902 1075673960 /nfs/dbraw/zinc/67/39/60/1075673960.db2.gz QPFCTPNLJJYCPW-NSHDSACASA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1cc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)nn1 ZINC001579820064 1075673930 /nfs/dbraw/zinc/67/39/30/1075673930.db2.gz UDMHTFZRNYGRIK-JTQLQIEISA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1cc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)nn1 ZINC001579820065 1075673946 /nfs/dbraw/zinc/67/39/46/1075673946.db2.gz UDMHTFZRNYGRIK-SNVBAGLBSA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1cc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579820235 1075673984 /nfs/dbraw/zinc/67/39/84/1075673984.db2.gz XJKLRTYZUZPNBA-JTQLQIEISA-N 0 1 387.408 -1.206 20 0 GAADMN COCCn1cc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579820236 1075673877 /nfs/dbraw/zinc/67/38/77/1075673877.db2.gz XJKLRTYZUZPNBA-SNVBAGLBSA-N 0 1 387.408 -1.206 20 0 GAADMN COCCn1cc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579820265 1075674338 /nfs/dbraw/zinc/67/43/38/1075674338.db2.gz YTSBFCCCNICJGF-NXEZZACHSA-N 0 1 387.408 -1.065 20 0 GAADMN COCCn1cc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579820266 1075674369 /nfs/dbraw/zinc/67/43/69/1075674369.db2.gz YTSBFCCCNICJGF-UWVGGRQHSA-N 0 1 387.408 -1.065 20 0 GAADMN COCCn1cc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579820267 1075674349 /nfs/dbraw/zinc/67/43/49/1075674349.db2.gz YTSBFCCCNICJGF-VHSXEESVSA-N 0 1 387.408 -1.065 20 0 GAADMN COCCn1cc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579820268 1075674430 /nfs/dbraw/zinc/67/44/30/1075674430.db2.gz YTSBFCCCNICJGF-ZJUUUORDSA-N 0 1 387.408 -1.065 20 0 GAADMN COC[C@@H](O)CN1CCN(CCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579820313 1075674444 /nfs/dbraw/zinc/67/44/44/1075674444.db2.gz ADYRMOODUBGOSX-ZDUSSCGKSA-N 0 1 392.464 -1.108 20 0 GAADMN COCCn1ccc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001579820696 1075674382 /nfs/dbraw/zinc/67/43/82/1075674382.db2.gz CYDALSJDFJFAPG-LLVKDONJSA-N 0 1 387.404 -1.271 20 0 GAADMN COCCn1ccc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001579820697 1075674435 /nfs/dbraw/zinc/67/44/35/1075674435.db2.gz CYDALSJDFJFAPG-NSHDSACASA-N 0 1 387.404 -1.271 20 0 GAADMN COCCn1ccc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001579820740 1075674388 /nfs/dbraw/zinc/67/43/88/1075674388.db2.gz FJVSEVHQWKAITP-JTQLQIEISA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1ccc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001579820741 1075674398 /nfs/dbraw/zinc/67/43/98/1075674398.db2.gz FJVSEVHQWKAITP-SNVBAGLBSA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1nc(C(=O)NCCNc2ccncc2-c2nn[nH]n2)ccc1=O ZINC001579820839 1075674757 /nfs/dbraw/zinc/67/47/57/1075674757.db2.gz JWYHNNDSABVWRW-UHFFFAOYSA-N 0 1 385.388 -1.271 20 0 GAADMN COCCn1ccc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)n1 ZINC001579820844 1075674815 /nfs/dbraw/zinc/67/48/15/1075674815.db2.gz JXRLRLQABNMXNX-LLVKDONJSA-N 0 1 387.404 -1.271 20 0 GAADMN COCCn1ccc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)n1 ZINC001579820845 1075674798 /nfs/dbraw/zinc/67/47/98/1075674798.db2.gz JXRLRLQABNMXNX-NSHDSACASA-N 0 1 387.404 -1.271 20 0 GAADMN COCCn1ccc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001579821220 1075674781 /nfs/dbraw/zinc/67/47/81/1075674781.db2.gz VDBCFMGBQGACJY-JTQLQIEISA-N 0 1 388.392 -1.876 20 0 GAADMN COCCn1ccc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001579821223 1075674794 /nfs/dbraw/zinc/67/47/94/1075674794.db2.gz VDBCFMGBQGACJY-SNVBAGLBSA-N 0 1 388.392 -1.876 20 0 GAADMN COC[C@H](O)CN1CCN(CCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579822696 1075675128 /nfs/dbraw/zinc/67/51/28/1075675128.db2.gz ADYRMOODUBGOSX-CYBMUJFWSA-N 0 1 392.464 -1.108 20 0 GAADMN COCc1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001579823409 1075675138 /nfs/dbraw/zinc/67/51/38/1075675138.db2.gz CMNFGOYWXFWNOU-UHFFFAOYSA-N 0 1 389.376 -1.240 20 0 GAADMN COCc1cc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001579823951 1075675107 /nfs/dbraw/zinc/67/51/07/1075675107.db2.gz WDDUWEPSOYJEGR-SECBINFHSA-N 0 1 389.376 -1.242 20 0 GAADMN COCc1cc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001579823952 1075675149 /nfs/dbraw/zinc/67/51/49/1075675149.db2.gz WDDUWEPSOYJEGR-VIFPVBQESA-N 0 1 389.376 -1.242 20 0 GAADMN COCc1cncc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001579836942 1075675086 /nfs/dbraw/zinc/67/50/86/1075675086.db2.gz QQZLFFCJNGFLFN-GFCCVEGCSA-N 0 1 385.388 -1.177 20 0 GAADMN COCc1cncc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001579836943 1075675118 /nfs/dbraw/zinc/67/51/18/1075675118.db2.gz QQZLFFCJNGFLFN-LBPRGKRZSA-N 0 1 385.388 -1.177 20 0 GAADMN COCc1cncc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001579837019 1075675144 /nfs/dbraw/zinc/67/51/44/1075675144.db2.gz UQXGZYVAWWQREJ-GFCCVEGCSA-N 0 1 385.388 -1.177 20 0 GAADMN COCc1cncc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001579837020 1075675075 /nfs/dbraw/zinc/67/50/75/1075675075.db2.gz UQXGZYVAWWQREJ-LBPRGKRZSA-N 0 1 385.388 -1.177 20 0 GAADMN COCc1nc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001579838847 1075675067 /nfs/dbraw/zinc/67/50/67/1075675067.db2.gz MOJYBDGZZAJLQQ-MRVPVSSYSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1nc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001579838848 1075675488 /nfs/dbraw/zinc/67/54/88/1075675488.db2.gz MOJYBDGZZAJLQQ-QMMMGPOBSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1nc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001579838889 1075675365 /nfs/dbraw/zinc/67/53/65/1075675365.db2.gz NFXFVKMRLKBRMA-MRVPVSSYSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1nc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001579838891 1075675497 /nfs/dbraw/zinc/67/54/97/1075675497.db2.gz NFXFVKMRLKBRMA-QMMMGPOBSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1ncc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001579841185 1075675470 /nfs/dbraw/zinc/67/54/70/1075675470.db2.gz KQAVUZNUPWYVGW-MRVPVSSYSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1ncc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001579841186 1075675504 /nfs/dbraw/zinc/67/55/04/1075675504.db2.gz KQAVUZNUPWYVGW-QMMMGPOBSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1ncc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001579841293 1075675456 /nfs/dbraw/zinc/67/54/56/1075675456.db2.gz PNDUUYKDAABRQR-MRVPVSSYSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1ncc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001579841294 1075675390 /nfs/dbraw/zinc/67/53/90/1075675390.db2.gz PNDUUYKDAABRQR-QMMMGPOBSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1ncsc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579841340 1075675399 /nfs/dbraw/zinc/67/53/99/1075675399.db2.gz RCSJMSSORLDUJJ-MRVPVSSYSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1ncsc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579841341 1075675477 /nfs/dbraw/zinc/67/54/77/1075675477.db2.gz RCSJMSSORLDUJJ-QMMMGPOBSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1ncsc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579842379 1075675439 /nfs/dbraw/zinc/67/54/39/1075675439.db2.gz BCJJJQKPWHWLRQ-MRVPVSSYSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1ncsc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579842380 1075675376 /nfs/dbraw/zinc/67/53/76/1075675376.db2.gz BCJJJQKPWHWLRQ-QMMMGPOBSA-N 0 1 391.417 -1.116 20 0 GAADMN COCc1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001579842420 1075675447 /nfs/dbraw/zinc/67/54/47/1075675447.db2.gz CYHOWQUEXULNTF-JTQLQIEISA-N 0 1 387.404 -1.234 20 0 GAADMN COCc1nn(C)cc1C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001579842421 1075675356 /nfs/dbraw/zinc/67/53/56/1075675356.db2.gz CYHOWQUEXULNTF-SNVBAGLBSA-N 0 1 387.404 -1.234 20 0 GAADMN COCc1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001579842634 1075675432 /nfs/dbraw/zinc/67/54/32/1075675432.db2.gz IDWXZKBKZNJIDM-JTQLQIEISA-N 0 1 387.404 -1.234 20 0 GAADMN COCc1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001579842639 1075675462 /nfs/dbraw/zinc/67/54/62/1075675462.db2.gz IDWXZKBKZNJIDM-SNVBAGLBSA-N 0 1 387.404 -1.234 20 0 GAADMN COCc1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579842958 1075675425 /nfs/dbraw/zinc/67/54/25/1075675425.db2.gz JONHAKNPNTZHIA-SECBINFHSA-N 0 1 388.392 -1.839 20 0 GAADMN COCc1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579842959 1075675413 /nfs/dbraw/zinc/67/54/13/1075675413.db2.gz JONHAKNPNTZHIA-VIFPVBQESA-N 0 1 388.392 -1.839 20 0 GAADMN COCc1nocc1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579843918 1075675760 /nfs/dbraw/zinc/67/57/60/1075675760.db2.gz GZOSQIKSCUJKFL-UHFFFAOYSA-N 0 1 389.376 -1.240 20 0 GAADMN COCc1nocc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579844668 1075675834 /nfs/dbraw/zinc/67/58/34/1075675834.db2.gz XKPDHZKRXPALHT-SECBINFHSA-N 0 1 389.376 -1.242 20 0 GAADMN COCc1nocc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579844669 1075675750 /nfs/dbraw/zinc/67/57/50/1075675750.db2.gz XKPDHZKRXPALHT-VIFPVBQESA-N 0 1 389.376 -1.242 20 0 GAADMN COCc1nocc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001579846497 1075675847 /nfs/dbraw/zinc/67/58/47/1075675847.db2.gz MBFMGTCNENILCF-MWLCHTKSSA-N 0 1 387.360 -1.229 20 0 GAADMN CO[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001579851045 1075676504 /nfs/dbraw/zinc/67/65/04/1075676504.db2.gz FIGIVBLHRNGDNL-GHMZBOCLSA-N 0 1 386.376 -1.489 20 0 GAADMN CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001579851135 1075676635 /nfs/dbraw/zinc/67/66/35/1075676635.db2.gz KBEHRJSUZBQIHS-GHMZBOCLSA-N 0 1 386.376 -1.489 20 0 GAADMN CO[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579853273 1075677672 /nfs/dbraw/zinc/67/76/72/1075677672.db2.gz BNGPRHBEXVUMDU-GHMZBOCLSA-N 0 1 386.376 -1.109 20 0 GAADMN CO[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579854198 1075678011 /nfs/dbraw/zinc/67/80/11/1075678011.db2.gz WRRTVGLIFLEDCH-GHMZBOCLSA-N 0 1 386.376 -1.109 20 0 GAADMN CO[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001579854802 1075678116 /nfs/dbraw/zinc/67/81/16/1075678116.db2.gz JKBSFSKCNZOMDP-ZIAGYGMSSA-N 0 1 384.404 -1.131 20 0 GAADMN CO[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001579854978 1075678133 /nfs/dbraw/zinc/67/81/33/1075678133.db2.gz NWDNUUXQSHWCRN-BFHYXJOUSA-N 0 1 386.416 -1.137 20 0 GAADMN CO[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001579854979 1075678150 /nfs/dbraw/zinc/67/81/50/1075678150.db2.gz NWDNUUXQSHWCRN-MGPQQGTHSA-N 0 1 386.416 -1.137 20 0 GAADMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001579855523 1075678078 /nfs/dbraw/zinc/67/80/78/1075678078.db2.gz PEAJIHNHGUDMNB-BFHYXJOUSA-N 0 1 386.416 -1.137 20 0 GAADMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001579855524 1075678473 /nfs/dbraw/zinc/67/84/73/1075678473.db2.gz PEAJIHNHGUDMNB-MGPQQGTHSA-N 0 1 386.416 -1.137 20 0 GAADMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001579855614 1075678528 /nfs/dbraw/zinc/67/85/28/1075678528.db2.gz UHTILVYHSIKDRC-ZIAGYGMSSA-N 0 1 384.404 -1.131 20 0 GAADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001579855808 1075678521 /nfs/dbraw/zinc/67/85/21/1075678521.db2.gz DBCAAHDANOUZOP-DGCLKSJQSA-N 0 1 385.392 -1.423 20 0 GAADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)CCNC(N)=O ZINC001579855829 1075678453 /nfs/dbraw/zinc/67/84/53/1075678453.db2.gz FAMBXGXVFDVMKY-DGCLKSJQSA-N 0 1 389.420 -1.052 20 0 GAADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001579855972 1075678477 /nfs/dbraw/zinc/67/84/77/1075678477.db2.gz KRFZFKZWPHMUBA-UFGOTCBOSA-N 0 1 389.420 -1.053 20 0 GAADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001579855983 1075678447 /nfs/dbraw/zinc/67/84/47/1075678447.db2.gz LERYFXGEKPABRT-NQBHXWOUSA-N 0 1 388.388 -1.002 20 0 GAADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001579855984 1075678534 /nfs/dbraw/zinc/67/85/34/1075678534.db2.gz LERYFXGEKPABRT-NTZNESFSSA-N 0 1 388.388 -1.002 20 0 GAADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001579856161 1075678487 /nfs/dbraw/zinc/67/84/87/1075678487.db2.gz SOVXHASIZQPUJO-DGCLKSJQSA-N 0 1 385.392 -1.423 20 0 GAADMN Cc1nnc(CCn2c([C@H]3COCCN3)nnc2N2CCN(C)C(=O)C2)[nH]1 ZINC001579856997 1075678895 /nfs/dbraw/zinc/67/88/95/1075678895.db2.gz FKWPNXMJBVALAQ-GFCCVEGCSA-N 0 1 375.437 -1.113 20 0 GAADMN Cc1n[nH]c(CCn2c([C@H]3COCCN3)nnc2N2CCN(C)C(=O)C2)n1 ZINC001579856997 1075678890 /nfs/dbraw/zinc/67/88/90/1075678890.db2.gz FKWPNXMJBVALAQ-GFCCVEGCSA-N 0 1 375.437 -1.113 20 0 GAADMN Cc1nnc(CCn2c([C@@H]3COCCN3)nnc2N2CCN(C)C(=O)C2)[nH]1 ZINC001579856998 1075678736 /nfs/dbraw/zinc/67/87/36/1075678736.db2.gz FKWPNXMJBVALAQ-LBPRGKRZSA-N 0 1 375.437 -1.113 20 0 GAADMN Cc1n[nH]c(CCn2c([C@@H]3COCCN3)nnc2N2CCN(C)C(=O)C2)n1 ZINC001579856998 1075678733 /nfs/dbraw/zinc/67/87/33/1075678733.db2.gz FKWPNXMJBVALAQ-LBPRGKRZSA-N 0 1 375.437 -1.113 20 0 GAADMN CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)CCc1c[nH]nn1 ZINC001579859906 1075679537 /nfs/dbraw/zinc/67/95/37/1075679537.db2.gz WYPGYINWUFETCQ-VXGBXAGGSA-N 0 1 385.392 -1.273 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)Cc1nnc(C)o1 ZINC001579860187 1075679641 /nfs/dbraw/zinc/67/96/41/1075679641.db2.gz AHPOKISXXKRTPS-NXEZZACHSA-N 0 1 386.376 -1.089 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C1CN(C(C)=O)C1 ZINC001579860191 1075679616 /nfs/dbraw/zinc/67/96/16/1075679616.db2.gz AQGREPKPCBTOHY-VXGBXAGGSA-N 0 1 387.404 -1.545 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001579860310 1075679972 /nfs/dbraw/zinc/67/99/72/1075679972.db2.gz FBFZGFIDMIZKCE-GMTAPVOTSA-N 0 1 387.404 -1.545 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001579860312 1075679887 /nfs/dbraw/zinc/67/98/87/1075679887.db2.gz FBFZGFIDMIZKCE-HBNTYKKESA-N 0 1 387.404 -1.545 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001579860398 1075680082 /nfs/dbraw/zinc/68/00/82/1075680082.db2.gz GGOPWCGYZRQKFN-VXGBXAGGSA-N 0 1 389.420 -1.691 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001579860421 1075679921 /nfs/dbraw/zinc/67/99/21/1075679921.db2.gz HITQIHDOGNKLGF-FBIMIBRVSA-N 0 1 375.393 -1.499 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001579860422 1075679956 /nfs/dbraw/zinc/67/99/56/1075679956.db2.gz HITQIHDOGNKLGF-JMJZKYOTSA-N 0 1 375.393 -1.499 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC001579860435 1075679849 /nfs/dbraw/zinc/67/98/49/1075679849.db2.gz IAQUDPSZXPDAQW-LYGAQUJYSA-N 0 1 387.404 -1.355 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C[C@H]1CCNC1=O ZINC001579860459 1075679897 /nfs/dbraw/zinc/67/98/97/1075679897.db2.gz IYWAYPWSLWRZTL-GMTAPVOTSA-N 0 1 387.404 -1.497 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001579860460 1075679935 /nfs/dbraw/zinc/67/99/35/1075679935.db2.gz IYWAYPWSLWRZTL-HBNTYKKESA-N 0 1 387.404 -1.497 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001579860469 1075680008 /nfs/dbraw/zinc/68/00/08/1075680008.db2.gz JGZGNMIXMZNJDM-GMTAPVOTSA-N 0 1 387.404 -1.497 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC001579860470 1075680057 /nfs/dbraw/zinc/68/00/57/1075680057.db2.gz JGZGNMIXMZNJDM-HBNTYKKESA-N 0 1 387.404 -1.497 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001579860574 1075679858 /nfs/dbraw/zinc/67/98/58/1075679858.db2.gz JXVKRALSRVQYIR-GHMZBOCLSA-N 0 1 387.404 -1.497 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)Cc1nonc1C ZINC001579860582 1075679983 /nfs/dbraw/zinc/67/99/83/1075679983.db2.gz KGNBTZYBJHKOBX-GHMZBOCLSA-N 0 1 386.376 -1.089 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)Cc1ccn(C)n1 ZINC001579860607 1075679911 /nfs/dbraw/zinc/67/99/11/1075679911.db2.gz LMCXJGSKBIMTHM-VXGBXAGGSA-N 0 1 384.404 -1.047 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CCCC(N)=O ZINC001579860627 1075680095 /nfs/dbraw/zinc/68/00/95/1075680095.db2.gz MQWBKTGAWMSNKS-NXEZZACHSA-N 0 1 375.393 -1.368 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CN1CCCC1=O ZINC001579860631 1075679873 /nfs/dbraw/zinc/67/98/73/1075679873.db2.gz MSKSNNYWWXKHFC-GHMZBOCLSA-N 0 1 387.404 -1.401 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001579860679 1075680477 /nfs/dbraw/zinc/68/04/77/1075680477.db2.gz OPGFMQLHOULCFK-NXEZZACHSA-N 0 1 385.392 -1.394 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C(C)(C)NC(C)=O ZINC001579860688 1075680469 /nfs/dbraw/zinc/68/04/69/1075680469.db2.gz OVFFYQPELYVRDB-GHMZBOCLSA-N 0 1 389.420 -1.109 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CCn1ccnn1 ZINC001579860692 1075680390 /nfs/dbraw/zinc/68/03/90/1075680390.db2.gz OYWJLXMOJZXBDA-GHMZBOCLSA-N 0 1 385.392 -1.342 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001579860725 1075680506 /nfs/dbraw/zinc/68/05/06/1075680506.db2.gz PYKQQWJNDUPJLV-VXGBXAGGSA-N 0 1 384.404 -1.047 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C[C@H]1COC(=O)C1 ZINC001579860742 1075680413 /nfs/dbraw/zinc/68/04/13/1075680413.db2.gz QWBXJKKBDNNRJW-GMTAPVOTSA-N 0 1 388.388 -1.070 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C[C@@H]1COC(=O)C1 ZINC001579860743 1075680491 /nfs/dbraw/zinc/68/04/91/1075680491.db2.gz QWBXJKKBDNNRJW-HBNTYKKESA-N 0 1 388.388 -1.070 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC001579860765 1075680371 /nfs/dbraw/zinc/68/03/71/1075680371.db2.gz RRRDUWRYEGZUDO-GMTAPVOTSA-N 0 1 387.404 -1.497 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC001579860766 1075680445 /nfs/dbraw/zinc/68/04/45/1075680445.db2.gz RRRDUWRYEGZUDO-HBNTYKKESA-N 0 1 387.404 -1.497 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001579860830 1075680452 /nfs/dbraw/zinc/68/04/52/1075680452.db2.gz VCLUJBYWIOEAKT-PSASIEDQSA-N 0 1 386.376 -1.271 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001579860831 1075680420 /nfs/dbraw/zinc/68/04/20/1075680420.db2.gz VEGZOHSDMWCHIV-HRDYMLBCSA-N 0 1 375.349 -1.915 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001579860832 1075680485 /nfs/dbraw/zinc/68/04/85/1075680485.db2.gz VEGZOHSDMWCHIV-IWSPIJDZSA-N 0 1 375.349 -1.915 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1nnn(C)c1C ZINC001579860843 1075680381 /nfs/dbraw/zinc/68/03/81/1075680381.db2.gz VPWSCXQZHRULSS-NXEZZACHSA-N 0 1 385.392 -1.273 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1 ZINC001579860849 1075680498 /nfs/dbraw/zinc/68/04/98/1075680498.db2.gz WCUGKYVYEGFVQB-GMTAPVOTSA-N 0 1 387.404 -1.355 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC001579860850 1075680502 /nfs/dbraw/zinc/68/05/02/1075680502.db2.gz WCUGKYVYEGFVQB-HBNTYKKESA-N 0 1 387.404 -1.355 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CCn1cncn1 ZINC001579860871 1075680427 /nfs/dbraw/zinc/68/04/27/1075680427.db2.gz WWTKUGPJFBTWEL-GHMZBOCLSA-N 0 1 385.392 -1.342 20 0 GAADMN CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)CCc1c[nH]nn1 ZINC001579862130 1075681073 /nfs/dbraw/zinc/68/10/73/1075681073.db2.gz SWRDDZPRKMBSGM-VXGBXAGGSA-N 0 1 385.392 -1.273 20 0 GAADMN CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)o3)C[C@H]21 ZINC001579868937 1075684092 /nfs/dbraw/zinc/68/40/92/1075684092.db2.gz RUFMZUHQPPZXLW-SFGNSQDASA-N 0 1 389.415 -1.108 20 0 GAADMN COc1c(C(=O)N(C)C[C@@H](O)CNc2ccncc2-c2nn[nH]n2)cnn1C ZINC001579870412 1075684066 /nfs/dbraw/zinc/68/40/66/1075684066.db2.gz SVEZDWACAVROAZ-JTQLQIEISA-N 0 1 387.404 -1.029 20 0 GAADMN COc1c(C(=O)N(C)C[C@H](O)CNc2ccncc2-c2nn[nH]n2)cnn1C ZINC001579870413 1075683986 /nfs/dbraw/zinc/68/39/86/1075683986.db2.gz SVEZDWACAVROAZ-SNVBAGLBSA-N 0 1 387.404 -1.029 20 0 GAADMN COc1c(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cnn1C ZINC001579870794 1075684084 /nfs/dbraw/zinc/68/40/84/1075684084.db2.gz ABLDCAMITRWCLN-JTQLQIEISA-N 0 1 387.404 -1.063 20 0 GAADMN COc1c(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cnn1C ZINC001579870795 1075684462 /nfs/dbraw/zinc/68/44/62/1075684462.db2.gz ABLDCAMITRWCLN-SNVBAGLBSA-N 0 1 387.404 -1.063 20 0 GAADMN COc1c(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)c(C)nn1C ZINC001579871120 1075684543 /nfs/dbraw/zinc/68/45/43/1075684543.db2.gz INCWQRNPIGXSRZ-JTQLQIEISA-N 0 1 387.404 -1.063 20 0 GAADMN COc1c(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)c(C)nn1C ZINC001579871121 1075684573 /nfs/dbraw/zinc/68/45/73/1075684573.db2.gz INCWQRNPIGXSRZ-SNVBAGLBSA-N 0 1 387.404 -1.063 20 0 GAADMN COc1c(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(C)nn1C ZINC001579871250 1075684489 /nfs/dbraw/zinc/68/44/89/1075684489.db2.gz MAVXTNHSPXTYHR-SECBINFHSA-N 0 1 388.392 -1.668 20 0 GAADMN COc1c(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(C)nn1C ZINC001579871255 1075684730 /nfs/dbraw/zinc/68/47/30/1075684730.db2.gz MAVXTNHSPXTYHR-VIFPVBQESA-N 0 1 388.392 -1.668 20 0 GAADMN COc1c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cnn1C ZINC001579871529 1075684872 /nfs/dbraw/zinc/68/48/72/1075684872.db2.gz RBNCOLXLBOGECZ-NXEZZACHSA-N 0 1 386.376 -1.622 20 0 GAADMN COc1c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cnn1C ZINC001579871530 1075684832 /nfs/dbraw/zinc/68/48/32/1075684832.db2.gz RBNCOLXLBOGECZ-ZJUUUORDSA-N 0 1 386.376 -1.622 20 0 GAADMN COc1c(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)c(C)nn1C ZINC001579871537 1075684721 /nfs/dbraw/zinc/68/47/21/1075684721.db2.gz RJNRFGJDBHTMMB-JTQLQIEISA-N 0 1 387.404 -1.063 20 0 GAADMN COc1c(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)c(C)nn1C ZINC001579871538 1075684856 /nfs/dbraw/zinc/68/48/56/1075684856.db2.gz RJNRFGJDBHTMMB-SNVBAGLBSA-N 0 1 387.404 -1.063 20 0 GAADMN COc1c(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)cnn1C ZINC001579871822 1075684900 /nfs/dbraw/zinc/68/49/00/1075684900.db2.gz ZYQUEDMTZWPQNH-JTQLQIEISA-N 0 1 387.404 -1.063 20 0 GAADMN COc1c(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)cnn1C ZINC001579871823 1075684822 /nfs/dbraw/zinc/68/48/22/1075684822.db2.gz ZYQUEDMTZWPQNH-SNVBAGLBSA-N 0 1 387.404 -1.063 20 0 GAADMN COc1c(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)cnn1C ZINC001579873005 1075685279 /nfs/dbraw/zinc/68/52/79/1075685279.db2.gz OJYJQNCKAXVGRK-UHFFFAOYSA-N 0 1 387.404 -1.028 20 0 GAADMN COc1c(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001579873383 1075685272 /nfs/dbraw/zinc/68/52/72/1075685272.db2.gz RGYZKFMWFHPPIG-UHFFFAOYSA-N 0 1 388.392 -1.633 20 0 GAADMN COc1cc(C(=O)N(C)C[C@@H](O)CNc2ccncc2-c2nn[nH]n2)nn1C ZINC001579889884 1075685603 /nfs/dbraw/zinc/68/56/03/1075685603.db2.gz GUVWAMZPPBVKGN-JTQLQIEISA-N 0 1 387.404 -1.029 20 0 GAADMN COc1cc(C(=O)N(C)C[C@H](O)CNc2ccncc2-c2nn[nH]n2)nn1C ZINC001579889885 1075685583 /nfs/dbraw/zinc/68/55/83/1075685583.db2.gz GUVWAMZPPBVKGN-SNVBAGLBSA-N 0 1 387.404 -1.029 20 0 GAADMN COc1cc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001579890661 1075685704 /nfs/dbraw/zinc/68/57/04/1075685704.db2.gz WDHWEHZIMXKMGY-SECBINFHSA-N 0 1 388.392 -1.634 20 0 GAADMN COc1cc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001579890662 1075685710 /nfs/dbraw/zinc/68/57/10/1075685710.db2.gz WDHWEHZIMXKMGY-VIFPVBQESA-N 0 1 388.392 -1.634 20 0 GAADMN COc1cc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)ncn1 ZINC001579890892 1075686003 /nfs/dbraw/zinc/68/60/03/1075686003.db2.gz ZYDCDAXGJXTREA-SECBINFHSA-N 0 1 386.376 -1.578 20 0 GAADMN COc1cc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)ncn1 ZINC001579890894 1075686116 /nfs/dbraw/zinc/68/61/16/1075686116.db2.gz ZYDCDAXGJXTREA-VIFPVBQESA-N 0 1 386.376 -1.578 20 0 GAADMN COc1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)on1 ZINC001579892390 1075686188 /nfs/dbraw/zinc/68/61/88/1075686188.db2.gz ILEZRALXWKLQEU-UHFFFAOYSA-N 0 1 375.349 -1.378 20 0 GAADMN COc1cc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)nn1C ZINC001579892480 1075685921 /nfs/dbraw/zinc/68/59/21/1075685921.db2.gz LAPGBPMYKVVENN-UHFFFAOYSA-N 0 1 387.404 -1.028 20 0 GAADMN COc1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001579893244 1075686095 /nfs/dbraw/zinc/68/60/95/1075686095.db2.gz UWRJVJIJCNVLEF-UHFFFAOYSA-N 0 1 388.392 -1.633 20 0 GAADMN COc1cc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)ncn1 ZINC001579902162 1075686052 /nfs/dbraw/zinc/68/60/52/1075686052.db2.gz JHVWKEBLSDGDNB-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)ncn1 ZINC001579902165 1075686119 /nfs/dbraw/zinc/68/61/19/1075686119.db2.gz JHVWKEBLSDGDNB-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)ncn1 ZINC001579902392 1075686034 /nfs/dbraw/zinc/68/60/34/1075686034.db2.gz KRFJQMMQRBNIIE-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)ncn1 ZINC001579902393 1075686017 /nfs/dbraw/zinc/68/60/17/1075686017.db2.gz KRFJQMMQRBNIIE-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nn1C ZINC001579902573 1075686012 /nfs/dbraw/zinc/68/60/12/1075686012.db2.gz NQZZRBFZKUYIBY-JTQLQIEISA-N 0 1 387.404 -1.063 20 0 GAADMN COc1cc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nn1C ZINC001579902575 1075685984 /nfs/dbraw/zinc/68/59/84/1075685984.db2.gz NQZZRBFZKUYIBY-SNVBAGLBSA-N 0 1 387.404 -1.063 20 0 GAADMN COc1cc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)sn1 ZINC001579903486 1075686636 /nfs/dbraw/zinc/68/66/36/1075686636.db2.gz YROCVAXJFXWAOD-SSDOTTSWSA-N 0 1 377.390 -1.254 20 0 GAADMN COc1cc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)sn1 ZINC001579903487 1075686582 /nfs/dbraw/zinc/68/65/82/1075686582.db2.gz YROCVAXJFXWAOD-ZETCQYMHSA-N 0 1 377.390 -1.254 20 0 GAADMN COc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1C ZINC001579911910 1075686569 /nfs/dbraw/zinc/68/65/69/1075686569.db2.gz NNCLPVQVRXYRGU-NXEZZACHSA-N 0 1 386.376 -1.622 20 0 GAADMN COc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1C ZINC001579911911 1075686511 /nfs/dbraw/zinc/68/65/11/1075686511.db2.gz NNCLPVQVRXYRGU-ZJUUUORDSA-N 0 1 386.376 -1.622 20 0 GAADMN COc1cc(C)cnc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579918038 1075687000 /nfs/dbraw/zinc/68/70/00/1075687000.db2.gz JBUNALWWINCXTH-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cc(C)cnc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001579918040 1075686832 /nfs/dbraw/zinc/68/68/32/1075686832.db2.gz JBUNALWWINCXTH-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cc(C)cnc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579919335 1075686983 /nfs/dbraw/zinc/68/69/83/1075686983.db2.gz WTQNHTSXDIDMQR-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cc(C)cnc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001579919336 1075686851 /nfs/dbraw/zinc/68/68/51/1075686851.db2.gz WTQNHTSXDIDMQR-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001579944224 1075687242 /nfs/dbraw/zinc/68/72/42/1075687242.db2.gz FTSGKJAGLWPABA-UHFFFAOYSA-N 0 1 385.388 -1.030 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[n-]2)C1 ZINC001579950100 1075687396 /nfs/dbraw/zinc/68/73/96/1075687396.db2.gz BVHYXXLLWKPFJE-CHWSQXEVSA-N 0 1 385.388 -1.032 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](NC(=O)c2cnn[n-]2)[C@@H](O)C1 ZINC001579951324 1075687173 /nfs/dbraw/zinc/68/71/73/1075687173.db2.gz BVHYXXLLWKPFJE-OLZOCXBDSA-N 0 1 385.388 -1.032 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](NC(=O)c2ncn[n-]2)[C@@H](O)C1 ZINC001579952852 1075687353 /nfs/dbraw/zinc/68/73/53/1075687353.db2.gz YBZPVUZONMZNRG-NEPJUHHUSA-N 0 1 385.388 -1.032 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001579955594 1075687343 /nfs/dbraw/zinc/68/73/43/1075687343.db2.gz BUKQREJWNUZWSF-GFCCVEGCSA-N 0 1 387.404 -1.116 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001579955596 1075687254 /nfs/dbraw/zinc/68/72/54/1075687254.db2.gz BUKQREJWNUZWSF-LBPRGKRZSA-N 0 1 387.404 -1.116 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001579955949 1075687118 /nfs/dbraw/zinc/68/71/18/1075687118.db2.gz DJBVQSQOGSMPFR-HZMBPMFUSA-N 0 1 391.432 -1.033 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001579955950 1075687182 /nfs/dbraw/zinc/68/71/82/1075687182.db2.gz DJBVQSQOGSMPFR-IINYFYTJSA-N 0 1 391.432 -1.033 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001579955951 1075687383 /nfs/dbraw/zinc/68/73/83/1075687383.db2.gz DJBVQSQOGSMPFR-QMTHXVAHSA-N 0 1 391.432 -1.033 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001579955952 1075687262 /nfs/dbraw/zinc/68/72/62/1075687262.db2.gz DJBVQSQOGSMPFR-YGRLFVJLSA-N 0 1 391.432 -1.033 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001579956634 1075687632 /nfs/dbraw/zinc/68/76/32/1075687632.db2.gz KMXMSHXZCVNNIP-NEPJUHHUSA-N 0 1 390.404 -1.877 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001579956635 1075687619 /nfs/dbraw/zinc/68/76/19/1075687619.db2.gz KMXMSHXZCVNNIP-NWDGAFQWSA-N 0 1 390.404 -1.877 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001579956636 1075687657 /nfs/dbraw/zinc/68/76/57/1075687657.db2.gz KMXMSHXZCVNNIP-RYUDHWBXSA-N 0 1 390.404 -1.877 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001579956637 1075687605 /nfs/dbraw/zinc/68/76/05/1075687605.db2.gz KMXMSHXZCVNNIP-VXGBXAGGSA-N 0 1 390.404 -1.877 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)Cn1cncn1 ZINC001579956655 1075687613 /nfs/dbraw/zinc/68/76/13/1075687613.db2.gz LGNGNVHAZIVNDW-CYBMUJFWSA-N 0 1 387.404 -1.266 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)Cn1cncn1 ZINC001579956656 1075687636 /nfs/dbraw/zinc/68/76/36/1075687636.db2.gz LGNGNVHAZIVNDW-ZDUSSCGKSA-N 0 1 387.404 -1.266 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001579956748 1075687661 /nfs/dbraw/zinc/68/76/61/1075687661.db2.gz NGAXUQAAEPHYMS-DZGCQCFKSA-N 0 1 392.416 -1.143 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001579956750 1075687696 /nfs/dbraw/zinc/68/76/96/1075687696.db2.gz NGAXUQAAEPHYMS-HIFRSBDPSA-N 0 1 392.416 -1.143 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001579956752 1075687683 /nfs/dbraw/zinc/68/76/83/1075687683.db2.gz NGAXUQAAEPHYMS-UKRRQHHQSA-N 0 1 392.416 -1.143 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001579956754 1075687644 /nfs/dbraw/zinc/68/76/44/1075687644.db2.gz NGAXUQAAEPHYMS-ZFWWWQNUSA-N 0 1 392.416 -1.143 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001579956816 1075687626 /nfs/dbraw/zinc/68/76/26/1075687626.db2.gz ONYOABLIJLWLQP-LLVKDONJSA-N 0 1 388.392 -1.721 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001579956818 1075687651 /nfs/dbraw/zinc/68/76/51/1075687651.db2.gz ONYOABLIJLWLQP-NSHDSACASA-N 0 1 388.392 -1.721 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)CN(C)C(C)=O ZINC001579957073 1075687677 /nfs/dbraw/zinc/68/76/77/1075687677.db2.gz RNTNQTZUNITPIX-AWEZNQCLSA-N 0 1 391.432 -1.080 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)CN(C)C(C)=O ZINC001579957075 1075687722 /nfs/dbraw/zinc/68/77/22/1075687722.db2.gz RNTNQTZUNITPIX-CQSZACIVSA-N 0 1 391.432 -1.080 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)c1cnnn1C ZINC001579957383 1075687709 /nfs/dbraw/zinc/68/77/09/1075687709.db2.gz VOBWLKRUFABFGG-GFCCVEGCSA-N 0 1 387.404 -1.116 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)c1cnnn1C ZINC001579957384 1075687689 /nfs/dbraw/zinc/68/76/89/1075687689.db2.gz VOBWLKRUFABFGG-LBPRGKRZSA-N 0 1 387.404 -1.116 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)CNC(C)=O ZINC001579957396 1075687599 /nfs/dbraw/zinc/68/75/99/1075687599.db2.gz VVXSGWHZYPCPBF-CYBMUJFWSA-N 0 1 377.405 -1.422 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)CNC(C)=O ZINC001579957397 1075687700 /nfs/dbraw/zinc/68/77/00/1075687700.db2.gz VVXSGWHZYPCPBF-ZDUSSCGKSA-N 0 1 377.405 -1.422 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001579957432 1075688024 /nfs/dbraw/zinc/68/80/24/1075688024.db2.gz XBDCIIRVCDNPKF-UPJWGTAASA-N 0 1 389.416 -1.437 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001579957433 1075688074 /nfs/dbraw/zinc/68/80/74/1075688074.db2.gz XBDCIIRVCDNPKF-XQQFMLRXSA-N 0 1 389.416 -1.437 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001579957451 1075687966 /nfs/dbraw/zinc/68/79/66/1075687966.db2.gz XNMAKJZXVTXHPR-GFCCVEGCSA-N 0 1 388.392 -1.871 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)Cn1ncnn1 ZINC001579957452 1075688048 /nfs/dbraw/zinc/68/80/48/1075688048.db2.gz XNMAKJZXVTXHPR-LBPRGKRZSA-N 0 1 388.392 -1.871 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001579957613 1075688098 /nfs/dbraw/zinc/68/80/98/1075688098.db2.gz ZERPDHQTMCFPSZ-GFCCVEGCSA-N 0 1 387.404 -1.116 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001579957614 1075687975 /nfs/dbraw/zinc/68/79/75/1075687975.db2.gz ZERPDHQTMCFPSZ-LBPRGKRZSA-N 0 1 387.404 -1.116 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001579957626 1075688082 /nfs/dbraw/zinc/68/80/82/1075688082.db2.gz ZQZOMSSAXGMAIX-OLZOCXBDSA-N 0 1 389.416 -1.279 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001579957627 1075688058 /nfs/dbraw/zinc/68/80/58/1075688058.db2.gz ZQZOMSSAXGMAIX-STQMWFEESA-N 0 1 389.416 -1.279 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001579957643 1075688033 /nfs/dbraw/zinc/68/80/33/1075688033.db2.gz ZYHSTIREFOQDGZ-GFCCVEGCSA-N 0 1 388.392 -1.871 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](CO)CNC(=O)Cn1cnnn1 ZINC001579957644 1075688068 /nfs/dbraw/zinc/68/80/68/1075688068.db2.gz ZYHSTIREFOQDGZ-LBPRGKRZSA-N 0 1 388.392 -1.871 20 0 GAADMN COc1ccc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579971852 1075688696 /nfs/dbraw/zinc/68/86/96/1075688696.db2.gz VSMULFVIYIFRFA-SECBINFHSA-N 0 1 386.376 -1.578 20 0 GAADMN COc1ccc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579971853 1075688712 /nfs/dbraw/zinc/68/87/12/1075688712.db2.gz VSMULFVIYIFRFA-VIFPVBQESA-N 0 1 386.376 -1.578 20 0 GAADMN COc1ccc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001579972736 1075688638 /nfs/dbraw/zinc/68/86/38/1075688638.db2.gz TXOKFWWRXNHZKZ-UHFFFAOYSA-N 0 1 386.376 -1.576 20 0 GAADMN COc1ccc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)nn1 ZINC001579980192 1075688994 /nfs/dbraw/zinc/68/89/94/1075688994.db2.gz RSJGHTWPIRNZJL-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1ccc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)nn1 ZINC001579980193 1075689020 /nfs/dbraw/zinc/68/90/20/1075689020.db2.gz RSJGHTWPIRNZJL-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1ccc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nn1 ZINC001579983541 1075689014 /nfs/dbraw/zinc/68/90/14/1075689014.db2.gz JXWXXEUENSUCKI-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1ccc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nn1 ZINC001579983542 1075688893 /nfs/dbraw/zinc/68/88/93/1075688893.db2.gz JXWXXEUENSUCKI-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 ZINC001579987808 1075689103 /nfs/dbraw/zinc/68/91/03/1075689103.db2.gz MHKBMDHNVJZFBT-NXEZZACHSA-N 0 1 384.360 -1.565 20 0 GAADMN COc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 ZINC001579987809 1075688970 /nfs/dbraw/zinc/68/89/70/1075688970.db2.gz MHKBMDHNVJZFBT-ZJUUUORDSA-N 0 1 384.360 -1.565 20 0 GAADMN COc1ccc(CC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001579993103 1075688907 /nfs/dbraw/zinc/68/89/07/1075688907.db2.gz UZBCIDMMRLEASM-LLVKDONJSA-N 0 1 385.388 -1.386 20 0 GAADMN COc1ccc(CC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001579993107 1075688959 /nfs/dbraw/zinc/68/89/59/1075688959.db2.gz UZBCIDMMRLEASM-NSHDSACASA-N 0 1 385.388 -1.386 20 0 GAADMN COc1cccnc1CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580086168 1075691095 /nfs/dbraw/zinc/69/10/95/1075691095.db2.gz AVNTXNRWFJBWKF-JTQLQIEISA-N 0 1 385.388 -1.386 20 0 GAADMN COc1cccnc1CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580086170 1075691037 /nfs/dbraw/zinc/69/10/37/1075691037.db2.gz AVNTXNRWFJBWKF-SNVBAGLBSA-N 0 1 385.388 -1.386 20 0 GAADMN COc1cccnc1CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580086408 1075691074 /nfs/dbraw/zinc/69/10/74/1075691074.db2.gz GSRBKCGHMPKMSU-JTQLQIEISA-N 0 1 385.388 -1.386 20 0 GAADMN COc1cccnc1CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580086409 1075691017 /nfs/dbraw/zinc/69/10/17/1075691017.db2.gz GSRBKCGHMPKMSU-SNVBAGLBSA-N 0 1 385.388 -1.386 20 0 GAADMN COc1ccncc1CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580099718 1075690989 /nfs/dbraw/zinc/69/09/89/1075690989.db2.gz NSTGZVFCYYAAAL-LLVKDONJSA-N 0 1 385.388 -1.386 20 0 GAADMN COc1ccncc1CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580099719 1075691012 /nfs/dbraw/zinc/69/10/12/1075691012.db2.gz NSTGZVFCYYAAAL-NSHDSACASA-N 0 1 385.388 -1.386 20 0 GAADMN COc1ccncc1CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580099899 1075691058 /nfs/dbraw/zinc/69/10/58/1075691058.db2.gz UROBPPOTXQUNMK-LLVKDONJSA-N 0 1 385.388 -1.386 20 0 GAADMN COc1ccncc1CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580099900 1075691078 /nfs/dbraw/zinc/69/10/78/1075691078.db2.gz UROBPPOTXQUNMK-NSHDSACASA-N 0 1 385.388 -1.386 20 0 GAADMN COc1cnc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001580100563 1075691008 /nfs/dbraw/zinc/69/10/08/1075691008.db2.gz WUAKZXZNHAMBMR-SECBINFHSA-N 0 1 386.376 -1.578 20 0 GAADMN COc1cnc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001580100564 1075691374 /nfs/dbraw/zinc/69/13/74/1075691374.db2.gz WUAKZXZNHAMBMR-VIFPVBQESA-N 0 1 386.376 -1.578 20 0 GAADMN COc1cnc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001580104530 1075691387 /nfs/dbraw/zinc/69/13/87/1075691387.db2.gz NSOCMMMEJAOELU-UHFFFAOYSA-N 0 1 386.376 -1.576 20 0 GAADMN COc1cnc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(F)c1 ZINC001580105737 1075691409 /nfs/dbraw/zinc/69/14/09/1075691409.db2.gz GLLSTRYPFDIRTB-MRVPVSSYSA-N 0 1 389.351 -1.176 20 0 GAADMN COc1cnc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(F)c1 ZINC001580105738 1075691422 /nfs/dbraw/zinc/69/14/22/1075691422.db2.gz GLLSTRYPFDIRTB-QMMMGPOBSA-N 0 1 389.351 -1.176 20 0 GAADMN COc1cnc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nc1 ZINC001580105923 1075691333 /nfs/dbraw/zinc/69/13/33/1075691333.db2.gz MWIASKWAIDTXBI-ZJUUUORDSA-N 0 1 384.360 -1.565 20 0 GAADMN COc1cnc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1 ZINC001580106081 1075691320 /nfs/dbraw/zinc/69/13/20/1075691320.db2.gz SHJODLNZNHAUPS-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cnc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1 ZINC001580106082 1075691457 /nfs/dbraw/zinc/69/14/57/1075691457.db2.gz SHJODLNZNHAUPS-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cnc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(F)c1 ZINC001580106109 1075691344 /nfs/dbraw/zinc/69/13/44/1075691344.db2.gz TVQJZXUJMATUIR-MRVPVSSYSA-N 0 1 389.351 -1.176 20 0 GAADMN COc1cnc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(F)c1 ZINC001580106110 1075691453 /nfs/dbraw/zinc/69/14/53/1075691453.db2.gz TVQJZXUJMATUIR-QMMMGPOBSA-N 0 1 389.351 -1.176 20 0 GAADMN COc1cnc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1 ZINC001580106229 1075691464 /nfs/dbraw/zinc/69/14/64/1075691464.db2.gz YODCGADTNMMNKJ-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cnc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)nc1 ZINC001580106230 1075691489 /nfs/dbraw/zinc/69/14/89/1075691489.db2.gz YODCGADTNMMNKJ-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001580109193 1075691486 /nfs/dbraw/zinc/69/14/86/1075691486.db2.gz GBDATRBBMCAZMW-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001580109194 1075691707 /nfs/dbraw/zinc/69/17/07/1075691707.db2.gz GBDATRBBMCAZMW-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1C ZINC001580109238 1075691800 /nfs/dbraw/zinc/69/18/00/1075691800.db2.gz HHTXVJLKWTXHEI-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1C ZINC001580109239 1075691746 /nfs/dbraw/zinc/69/17/46/1075691746.db2.gz HHTXVJLKWTXHEI-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001580109653 1075691594 /nfs/dbraw/zinc/69/15/94/1075691594.db2.gz LMYQAQDBTUSRIZ-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001580109654 1075691753 /nfs/dbraw/zinc/69/17/53/1075691753.db2.gz LMYQAQDBTUSRIZ-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001580110168 1075691611 /nfs/dbraw/zinc/69/16/11/1075691611.db2.gz SLFUNIQPBWYLOY-NXEZZACHSA-N 0 1 384.360 -1.565 20 0 GAADMN COc1cncc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1C ZINC001580110805 1075691668 /nfs/dbraw/zinc/69/16/68/1075691668.db2.gz ZZPZCWKEJZFTAT-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1C ZINC001580110807 1075691718 /nfs/dbraw/zinc/69/17/18/1075691718.db2.gz ZZPZCWKEJZFTAT-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1cncc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580111265 1075691698 /nfs/dbraw/zinc/69/16/98/1075691698.db2.gz HOBFVULCMCJMLO-UHFFFAOYSA-N 0 1 386.376 -1.576 20 0 GAADMN COc1cncc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580111931 1075691785 /nfs/dbraw/zinc/69/17/85/1075691785.db2.gz MFLCKTRASGPWJP-SECBINFHSA-N 0 1 386.376 -1.578 20 0 GAADMN COc1cncc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580111932 1075691772 /nfs/dbraw/zinc/69/17/72/1075691772.db2.gz MFLCKTRASGPWJP-VIFPVBQESA-N 0 1 386.376 -1.578 20 0 GAADMN COc1coc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)cc1=O ZINC001580114172 1075692129 /nfs/dbraw/zinc/69/21/29/1075692129.db2.gz AAZSAKZZMARDRA-SECBINFHSA-N 0 1 387.356 -1.152 20 0 GAADMN COc1coc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)cc1=O ZINC001580114173 1075692192 /nfs/dbraw/zinc/69/21/92/1075692192.db2.gz AAZSAKZZMARDRA-VIFPVBQESA-N 0 1 387.356 -1.152 20 0 GAADMN COc1coc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)cc1=O ZINC001580114619 1075692146 /nfs/dbraw/zinc/69/21/46/1075692146.db2.gz VOTSMCJEUYMPQX-SECBINFHSA-N 0 1 387.356 -1.152 20 0 GAADMN COc1coc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)cc1=O ZINC001580114620 1075692073 /nfs/dbraw/zinc/69/20/73/1075692073.db2.gz VOTSMCJEUYMPQX-VIFPVBQESA-N 0 1 387.356 -1.152 20 0 GAADMN COc1nc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)co1 ZINC001580119969 1075692096 /nfs/dbraw/zinc/69/20/96/1075692096.db2.gz ZAEBPRVGUXZFIR-UHFFFAOYSA-N 0 1 375.349 -1.378 20 0 GAADMN COc1nc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)co1 ZINC001580120015 1075692056 /nfs/dbraw/zinc/69/20/56/1075692056.db2.gz ZIGRPXPSZQDRMP-MRVPVSSYSA-N 0 1 375.349 -1.380 20 0 GAADMN COc1nc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)co1 ZINC001580120017 1075692141 /nfs/dbraw/zinc/69/21/41/1075692141.db2.gz ZIGRPXPSZQDRMP-QMMMGPOBSA-N 0 1 375.349 -1.380 20 0 GAADMN COc1nc(C)ccc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580125393 1075692067 /nfs/dbraw/zinc/69/20/67/1075692067.db2.gz GIWXHEWVVNUYBH-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1nc(C)ccc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580125394 1075692162 /nfs/dbraw/zinc/69/21/62/1075692162.db2.gz GIWXHEWVVNUYBH-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1ncc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001580127324 1075692114 /nfs/dbraw/zinc/69/21/14/1075692114.db2.gz BCDDALYTKGUOBT-JTQLQIEISA-N 0 1 386.376 -1.578 20 0 GAADMN COc1ncc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001580127325 1075692177 /nfs/dbraw/zinc/69/21/77/1075692177.db2.gz BCDDALYTKGUOBT-SNVBAGLBSA-N 0 1 386.376 -1.578 20 0 GAADMN COc1ncc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001580128812 1075692105 /nfs/dbraw/zinc/69/21/05/1075692105.db2.gz WZUXBPZHZACURU-UHFFFAOYSA-N 0 1 386.376 -1.576 20 0 GAADMN COc1ncc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 ZINC001580129237 1075692522 /nfs/dbraw/zinc/69/25/22/1075692522.db2.gz JQQWHWVCSRBSEZ-NXEZZACHSA-N 0 1 384.360 -1.565 20 0 GAADMN COc1ncc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)cn1 ZINC001580129579 1075692575 /nfs/dbraw/zinc/69/25/75/1075692575.db2.gz XPIWHQLHDTUYAH-LLVKDONJSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1ncc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)cn1 ZINC001580129580 1075692514 /nfs/dbraw/zinc/69/25/14/1075692514.db2.gz XPIWHQLHDTUYAH-NSHDSACASA-N 0 1 385.388 -1.007 20 0 GAADMN COc1nccc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580141406 1075692510 /nfs/dbraw/zinc/69/25/10/1075692510.db2.gz SODKUAOTFUAHHT-UHFFFAOYSA-N 0 1 386.376 -1.576 20 0 GAADMN COc1nccc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001580142702 1075692569 /nfs/dbraw/zinc/69/25/69/1075692569.db2.gz PDJHQEFSHKOFDI-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1nccc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001580142703 1075692564 /nfs/dbraw/zinc/69/25/64/1075692564.db2.gz PDJHQEFSHKOFDI-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1nccc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001580142723 1075692549 /nfs/dbraw/zinc/69/25/49/1075692549.db2.gz PYQVJIAXEDNIKD-JTQLQIEISA-N 0 1 385.388 -1.007 20 0 GAADMN COc1nccc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001580142724 1075692527 /nfs/dbraw/zinc/69/25/27/1075692527.db2.gz PYQVJIAXEDNIKD-SNVBAGLBSA-N 0 1 385.388 -1.007 20 0 GAADMN COc1nccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001580143328 1075692873 /nfs/dbraw/zinc/69/28/73/1075692873.db2.gz ZZLIYKLWFSTWOM-ZJUUUORDSA-N 0 1 384.360 -1.565 20 0 GAADMN COc1nn(C)cc1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001580148544 1075692851 /nfs/dbraw/zinc/69/28/51/1075692851.db2.gz IWSLHBUZAAQMSO-UHFFFAOYSA-N 0 1 387.404 -1.028 20 0 GAADMN COc1nn(C)cc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580149489 1075692894 /nfs/dbraw/zinc/69/28/94/1075692894.db2.gz WPPRSZIFWIQABU-SECBINFHSA-N 0 1 388.392 -1.634 20 0 GAADMN COc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580149490 1075692841 /nfs/dbraw/zinc/69/28/41/1075692841.db2.gz WPPRSZIFWIQABU-VIFPVBQESA-N 0 1 388.392 -1.634 20 0 GAADMN COc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001580149767 1075692995 /nfs/dbraw/zinc/69/29/95/1075692995.db2.gz YWRANKSXCNLBMW-JTQLQIEISA-N 0 1 387.404 -1.029 20 0 GAADMN COc1nn(C)cc1C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001580149768 1075693309 /nfs/dbraw/zinc/69/33/09/1075693309.db2.gz YWRANKSXCNLBMW-SNVBAGLBSA-N 0 1 387.404 -1.029 20 0 GAADMN COc1nn(C)cc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001580150007 1075693197 /nfs/dbraw/zinc/69/31/97/1075693197.db2.gz ALFYFVZPOHGKCE-ZJUUUORDSA-N 0 1 386.376 -1.622 20 0 GAADMN COc1nn(C)cc1C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001580150397 1075693300 /nfs/dbraw/zinc/69/33/00/1075693300.db2.gz PAAOHJHBCVIIMK-JTQLQIEISA-N 0 1 387.404 -1.063 20 0 GAADMN COc1nn(C)cc1C(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001580150398 1075693347 /nfs/dbraw/zinc/69/33/47/1075693347.db2.gz PAAOHJHBCVIIMK-SNVBAGLBSA-N 0 1 387.404 -1.063 20 0 GAADMN COc1nn(C)cc1C(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001580150628 1075693184 /nfs/dbraw/zinc/69/31/84/1075693184.db2.gz SOIVQAJLLUYWEI-JTQLQIEISA-N 0 1 387.404 -1.063 20 0 GAADMN COc1nn(C)cc1C(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001580150629 1075693373 /nfs/dbraw/zinc/69/33/73/1075693373.db2.gz SOIVQAJLLUYWEI-SNVBAGLBSA-N 0 1 387.404 -1.063 20 0 GAADMN CS(=O)(=O)CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580154593 1075693568 /nfs/dbraw/zinc/69/35/68/1075693568.db2.gz GTYPHOGRCPDPJP-JTQLQIEISA-N 0 1 380.434 -1.084 20 0 GAADMN CS(=O)(=O)CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580154594 1075693624 /nfs/dbraw/zinc/69/36/24/1075693624.db2.gz GTYPHOGRCPDPJP-SNVBAGLBSA-N 0 1 380.434 -1.084 20 0 GAADMN CS(=O)(=O)CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001580154620 1075693638 /nfs/dbraw/zinc/69/36/38/1075693638.db2.gz HRCSXCYJIFLYNJ-UHFFFAOYSA-N 0 1 380.434 -1.226 20 0 GAADMN CS(=O)(=O)CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580154852 1075693969 /nfs/dbraw/zinc/69/39/69/1075693969.db2.gz LWLAOLZAVOVNBE-JTQLQIEISA-N 0 1 380.434 -1.226 20 0 GAADMN CS(=O)(=O)CC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580154853 1075693896 /nfs/dbraw/zinc/69/38/96/1075693896.db2.gz LWLAOLZAVOVNBE-SNVBAGLBSA-N 0 1 380.434 -1.226 20 0 GAADMN CS(=O)(=O)CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580155301 1075694273 /nfs/dbraw/zinc/69/42/73/1075694273.db2.gz UTWAYSUKAHPSGR-JTQLQIEISA-N 0 1 380.434 -1.226 20 0 GAADMN CS(=O)(=O)CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580155302 1075694256 /nfs/dbraw/zinc/69/42/56/1075694256.db2.gz UTWAYSUKAHPSGR-SNVBAGLBSA-N 0 1 380.434 -1.226 20 0 GAADMN CS(=O)(=O)CC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001580155736 1075694664 /nfs/dbraw/zinc/69/46/64/1075694664.db2.gz BODGRMIRBUDGJL-MNOVXSKESA-N 0 1 392.445 -1.014 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001580155807 1075694577 /nfs/dbraw/zinc/69/45/77/1075694577.db2.gz FMAMIIUXJLNVDK-LLVKDONJSA-N 0 1 386.409 -1.383 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001580155808 1075694673 /nfs/dbraw/zinc/69/46/73/1075694673.db2.gz FMAMIIUXJLNVDK-NSHDSACASA-N 0 1 386.409 -1.383 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580155850 1075694912 /nfs/dbraw/zinc/69/49/12/1075694912.db2.gz GSHLLEHFISBNFU-NXEZZACHSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580155851 1075694958 /nfs/dbraw/zinc/69/49/58/1075694958.db2.gz GSHLLEHFISBNFU-UWVGGRQHSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580155852 1075694980 /nfs/dbraw/zinc/69/49/80/1075694980.db2.gz GSHLLEHFISBNFU-VHSXEESVSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580155853 1075694971 /nfs/dbraw/zinc/69/49/71/1075694971.db2.gz GSHLLEHFISBNFU-ZJUUUORDSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@H](CO)NCc1cc(F)ccc1-c1nn[nH]n1 ZINC001580155919 1075694926 /nfs/dbraw/zinc/69/49/26/1075694926.db2.gz HEUZMCLBZIQXCG-LLVKDONJSA-N 0 1 386.409 -1.383 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@@H](CO)NCc1cc(F)ccc1-c1nn[nH]n1 ZINC001580155920 1075694921 /nfs/dbraw/zinc/69/49/21/1075694921.db2.gz HEUZMCLBZIQXCG-NSHDSACASA-N 0 1 386.409 -1.383 20 0 GAADMN CS(=O)(=O)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001580156037 1075695255 /nfs/dbraw/zinc/69/52/55/1075695255.db2.gz LAVBPECVGCGGCX-VHSXEESVSA-N 0 1 378.418 -1.262 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001580156058 1075695247 /nfs/dbraw/zinc/69/52/47/1075695247.db2.gz LKJVZCWFHHGAGB-OWUUHHOZSA-N 0 1 378.418 -1.500 20 0 GAADMN CS(=O)(=O)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001580156152 1075695632 /nfs/dbraw/zinc/69/56/32/1075695632.db2.gz OGFYEJTVKMUWRC-UHFFFAOYSA-N 0 1 380.434 -1.036 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001580156157 1075695639 /nfs/dbraw/zinc/69/56/39/1075695639.db2.gz OLIYTOCWEXWJCK-LLVKDONJSA-N 0 1 386.409 -1.383 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001580156158 1075695731 /nfs/dbraw/zinc/69/57/31/1075695731.db2.gz OLIYTOCWEXWJCK-NSHDSACASA-N 0 1 386.409 -1.383 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001580156198 1075695698 /nfs/dbraw/zinc/69/56/98/1075695698.db2.gz QDOXUABDLQHPFY-NXEZZACHSA-N 0 1 392.445 -1.038 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001580156199 1075695657 /nfs/dbraw/zinc/69/56/57/1075695657.db2.gz QDOXUABDLQHPFY-UWVGGRQHSA-N 0 1 392.445 -1.038 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001580156200 1075695621 /nfs/dbraw/zinc/69/56/21/1075695621.db2.gz QDOXUABDLQHPFY-VHSXEESVSA-N 0 1 392.445 -1.038 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001580156201 1075695648 /nfs/dbraw/zinc/69/56/48/1075695648.db2.gz QDOXUABDLQHPFY-ZJUUUORDSA-N 0 1 392.445 -1.038 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580156275 1075696095 /nfs/dbraw/zinc/69/60/95/1075696095.db2.gz QUQBLGSEMXCIPM-NXEZZACHSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580156276 1075696047 /nfs/dbraw/zinc/69/60/47/1075696047.db2.gz QUQBLGSEMXCIPM-UWVGGRQHSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580156277 1075696063 /nfs/dbraw/zinc/69/60/63/1075696063.db2.gz QUQBLGSEMXCIPM-VHSXEESVSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580156278 1075696072 /nfs/dbraw/zinc/69/60/72/1075696072.db2.gz QUQBLGSEMXCIPM-ZJUUUORDSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580156313 1075696021 /nfs/dbraw/zinc/69/60/21/1075696021.db2.gz SGDPDSIAZKSPBW-CYBMUJFWSA-N 0 1 382.406 -2.241 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580156314 1075696100 /nfs/dbraw/zinc/69/61/00/1075696100.db2.gz SGDPDSIAZKSPBW-ZDUSSCGKSA-N 0 1 382.406 -2.241 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580156318 1075696057 /nfs/dbraw/zinc/69/60/57/1075696057.db2.gz SMKWEBBEGIQOFM-JTQLQIEISA-N 0 1 386.409 -1.383 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580156319 1075696052 /nfs/dbraw/zinc/69/60/52/1075696052.db2.gz SMKWEBBEGIQOFM-SNVBAGLBSA-N 0 1 386.409 -1.383 20 0 GAADMN CS(=O)(=O)CC(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001580156561 1075696524 /nfs/dbraw/zinc/69/65/24/1075696524.db2.gz XKHXKLPOKUHCNI-UHFFFAOYSA-N 0 1 380.434 -1.038 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001580156587 1075696735 /nfs/dbraw/zinc/69/67/35/1075696735.db2.gz XZFQETGUIOJASE-BDAKNGLRSA-N 0 1 382.406 -2.243 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001580156588 1075696801 /nfs/dbraw/zinc/69/68/01/1075696801.db2.gz XZFQETGUIOJASE-DTWKUNHWSA-N 0 1 382.406 -2.243 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001580156589 1075696779 /nfs/dbraw/zinc/69/67/79/1075696779.db2.gz XZFQETGUIOJASE-IUCAKERBSA-N 0 1 382.406 -2.243 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001580156590 1075696756 /nfs/dbraw/zinc/69/67/56/1075696756.db2.gz XZFQETGUIOJASE-RKDXNWHRSA-N 0 1 382.406 -2.243 20 0 GAADMN CS(=O)(=O)CC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001580156605 1075696725 /nfs/dbraw/zinc/69/67/25/1075696725.db2.gz YHYVUHKLSZPELL-UHFFFAOYSA-N 0 1 380.434 -1.036 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580157694 1075697547 /nfs/dbraw/zinc/69/75/47/1075697547.db2.gz DPZMVUCKAAVDPN-VHSXEESVSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001580157946 1075697523 /nfs/dbraw/zinc/69/75/23/1075697523.db2.gz GQZGNMQWDJYMML-SECBINFHSA-N 0 1 382.406 -1.977 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001580157947 1075697503 /nfs/dbraw/zinc/69/75/03/1075697503.db2.gz GQZGNMQWDJYMML-VIFPVBQESA-N 0 1 382.406 -1.977 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001580158322 1075697928 /nfs/dbraw/zinc/69/79/28/1075697928.db2.gz KJGNKOJBRBWJDR-BBBLOLIVSA-N 0 1 378.418 -1.073 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001580158323 1075697876 /nfs/dbraw/zinc/69/78/76/1075697876.db2.gz KJGNKOJBRBWJDR-UTLUCORTSA-N 0 1 378.418 -1.073 20 0 GAADMN CS(=O)(=O)CC(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001580158691 1075698280 /nfs/dbraw/zinc/69/82/80/1075698280.db2.gz NTKRPWMAJRSISJ-UHFFFAOYSA-N 0 1 380.434 -1.178 20 0 GAADMN CS(=O)(=O)C[C@H](O)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001580158724 1075698274 /nfs/dbraw/zinc/69/82/74/1075698274.db2.gz PAZUFSLPVDRSLK-SSDOTTSWSA-N 0 1 397.385 -1.171 20 0 GAADMN CS(=O)(=O)C[C@@H](O)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001580158725 1075698291 /nfs/dbraw/zinc/69/82/91/1075698291.db2.gz PAZUFSLPVDRSLK-ZETCQYMHSA-N 0 1 397.385 -1.171 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580158952 1075698299 /nfs/dbraw/zinc/69/82/99/1075698299.db2.gz SOINJAYSJSPUTP-NXEZZACHSA-N 0 1 380.434 -1.038 20 0 GAADMN CS(=O)(=O)CC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001580159274 1075698629 /nfs/dbraw/zinc/69/86/29/1075698629.db2.gz XKHXKLPOKUHCNI-MGCOHNPYSA-N 0 1 380.434 -1.038 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001580159379 1075698612 /nfs/dbraw/zinc/69/86/12/1075698612.db2.gz YXZPXMQGDUKKEA-SECBINFHSA-N 0 1 382.406 -1.977 20 0 GAADMN CS(=O)(=O)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001580159381 1075698662 /nfs/dbraw/zinc/69/86/62/1075698662.db2.gz YXZPXMQGDUKKEA-VIFPVBQESA-N 0 1 382.406 -1.977 20 0 GAADMN CS(=O)(=O)C[C@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CCO1 ZINC001580160113 1075699007 /nfs/dbraw/zinc/69/90/07/1075699007.db2.gz FHIDROCNAXAPAF-SECBINFHSA-N 0 1 388.431 -1.304 20 0 GAADMN CS(=O)(=O)C[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CCO1 ZINC001580160115 1075699065 /nfs/dbraw/zinc/69/90/65/1075699065.db2.gz FHIDROCNAXAPAF-VIFPVBQESA-N 0 1 388.431 -1.304 20 0 GAADMN CS(=O)(=O)CC1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCC1 ZINC001580160220 1075699023 /nfs/dbraw/zinc/69/90/23/1075699023.db2.gz IFPLIGTVAAUYLY-UHFFFAOYSA-N 0 1 383.438 -1.028 20 0 GAADMN CS(=O)(=O)CC1(CCNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001580160486 1075699099 /nfs/dbraw/zinc/69/90/99/1075699099.db2.gz KTOOSFCAKOAQJL-UHFFFAOYSA-N 0 1 383.438 -1.028 20 0 GAADMN CS(=O)(=O)CCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580160538 1075699418 /nfs/dbraw/zinc/69/94/18/1075699418.db2.gz MNJGXSIOQNNKHD-JTQLQIEISA-N 0 1 380.434 -1.226 20 0 GAADMN CS(=O)(=O)CCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580160540 1075699412 /nfs/dbraw/zinc/69/94/12/1075699412.db2.gz MNJGXSIOQNNKHD-SNVBAGLBSA-N 0 1 380.434 -1.226 20 0 GAADMN CS(=O)(=O)C[C@H]1CCCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001580160558 1075699505 /nfs/dbraw/zinc/69/95/05/1075699505.db2.gz MSHIIETZEAFUQR-JTQLQIEISA-N 0 1 383.438 -1.076 20 0 GAADMN CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001580160560 1075699512 /nfs/dbraw/zinc/69/95/12/1075699512.db2.gz MSHIIETZEAFUQR-SNVBAGLBSA-N 0 1 383.438 -1.076 20 0 GAADMN CS(=O)(=O)CCC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580160953 1075699384 /nfs/dbraw/zinc/69/93/84/1075699384.db2.gz PYFHJJGTMDSKAV-UHFFFAOYSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CCC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001580161170 1075699781 /nfs/dbraw/zinc/69/97/81/1075699781.db2.gz RDTLQUFEEZFDOW-UHFFFAOYSA-N 0 1 384.422 -2.254 20 0 GAADMN CS(=O)(=O)CCC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580161182 1075699898 /nfs/dbraw/zinc/69/98/98/1075699898.db2.gz RONSRQHFAJJPPB-JTQLQIEISA-N 0 1 380.434 -1.084 20 0 GAADMN CS(=O)(=O)CCC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580161183 1075699855 /nfs/dbraw/zinc/69/98/55/1075699855.db2.gz RONSRQHFAJJPPB-SNVBAGLBSA-N 0 1 380.434 -1.084 20 0 GAADMN CS(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001580161214 1075699833 /nfs/dbraw/zinc/69/98/33/1075699833.db2.gz UIJQFARARRIEKM-UWVGGRQHSA-N 0 1 378.418 -1.119 20 0 GAADMN CS(=O)(=O)CCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580161380 1075699817 /nfs/dbraw/zinc/69/98/17/1075699817.db2.gz WVGVDSQYPAMMRD-JTQLQIEISA-N 0 1 380.434 -1.084 20 0 GAADMN CS(=O)(=O)CCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580161381 1075699891 /nfs/dbraw/zinc/69/98/91/1075699891.db2.gz WVGVDSQYPAMMRD-SNVBAGLBSA-N 0 1 380.434 -1.084 20 0 GAADMN CS(=O)(=O)CCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001580161402 1075699841 /nfs/dbraw/zinc/69/98/41/1075699841.db2.gz XSWUTSAQUKRBOK-PHIMTYICSA-N 0 1 392.445 -1.014 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@H](CO)NCc1cccc(-c2nn[nH]n2)c1 ZINC001580161506 1075700321 /nfs/dbraw/zinc/70/03/21/1075700321.db2.gz AHTPEWAQHPFMIW-CYBMUJFWSA-N 0 1 382.446 -1.132 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@@H](CO)NCc1cccc(-c2nn[nH]n2)c1 ZINC001580161508 1075700295 /nfs/dbraw/zinc/70/02/95/1075700295.db2.gz AHTPEWAQHPFMIW-ZDUSSCGKSA-N 0 1 382.446 -1.132 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580161554 1075700220 /nfs/dbraw/zinc/70/02/20/1075700220.db2.gz BVFXXCUWTMORMK-AOOOYVTPSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CCC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580161555 1075700071 /nfs/dbraw/zinc/70/00/71/1075700071.db2.gz BVFXXCUWTMORMK-UHFFFAOYSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001580161568 1075700055 /nfs/dbraw/zinc/70/00/55/1075700055.db2.gz CMAVGKCLCIAALO-SECBINFHSA-N 0 1 388.475 -1.070 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001580161568 1075700052 /nfs/dbraw/zinc/70/00/52/1075700052.db2.gz CMAVGKCLCIAALO-SECBINFHSA-N 0 1 388.475 -1.070 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001580161569 1075700286 /nfs/dbraw/zinc/70/02/86/1075700286.db2.gz CMAVGKCLCIAALO-VIFPVBQESA-N 0 1 388.475 -1.070 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001580161569 1075700280 /nfs/dbraw/zinc/70/02/80/1075700280.db2.gz CMAVGKCLCIAALO-VIFPVBQESA-N 0 1 388.475 -1.070 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001580161749 1075700508 /nfs/dbraw/zinc/70/05/08/1075700508.db2.gz GDXHVQLJALTLJM-JTQLQIEISA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001580161750 1075700529 /nfs/dbraw/zinc/70/05/29/1075700529.db2.gz GDXHVQLJALTLJM-SNVBAGLBSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001580161787 1075700927 /nfs/dbraw/zinc/70/09/27/1075700927.db2.gz HQJPPDFKEKRISO-UHFFFAOYSA-N 0 1 380.434 -1.036 20 0 GAADMN CS(=O)(=O)CCCC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001580161808 1075700978 /nfs/dbraw/zinc/70/09/78/1075700978.db2.gz IVWXOQNJWZRJQD-JTQLQIEISA-N 0 1 383.434 -1.603 20 0 GAADMN CS(=O)(=O)CCCC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001580161809 1075700822 /nfs/dbraw/zinc/70/08/22/1075700822.db2.gz IVWXOQNJWZRJQD-SNVBAGLBSA-N 0 1 383.434 -1.603 20 0 GAADMN CS(=O)(=O)CCN1CCC(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001580161923 1075701166 /nfs/dbraw/zinc/70/11/66/1075701166.db2.gz OBBWTWDRGFANSL-UHFFFAOYSA-N 0 1 383.438 -1.917 20 0 GAADMN CS(=O)(=O)CCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001580161942 1075700866 /nfs/dbraw/zinc/70/08/66/1075700866.db2.gz KQNQIKYKFJPLFU-ZJUUUORDSA-N 0 1 396.433 -1.853 20 0 GAADMN CS(=O)(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580162018 1075701249 /nfs/dbraw/zinc/70/12/49/1075701249.db2.gz NKBVGIDBNPEADV-AOOOYVTPSA-N 0 1 380.434 -1.038 20 0 GAADMN CS(=O)(=O)CCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580162019 1075701331 /nfs/dbraw/zinc/70/13/31/1075701331.db2.gz NKBVGIDBNPEADV-MGCOHNPYSA-N 0 1 380.434 -1.038 20 0 GAADMN CS(=O)(=O)CCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580162162 1075701677 /nfs/dbraw/zinc/70/16/77/1075701677.db2.gz PTDVKSYTVPXMMY-JTQLQIEISA-N 0 1 380.434 -1.084 20 0 GAADMN CS(=O)(=O)CCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580162163 1075701628 /nfs/dbraw/zinc/70/16/28/1075701628.db2.gz PTDVKSYTVPXMMY-SNVBAGLBSA-N 0 1 380.434 -1.084 20 0 GAADMN CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580162168 1075701586 /nfs/dbraw/zinc/70/15/86/1075701586.db2.gz PYFHJJGTMDSKAV-MGCOHNPYSA-N 0 1 380.434 -1.180 20 0 GAADMN CS(=O)(=O)CCCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001580162199 1075701689 /nfs/dbraw/zinc/70/16/89/1075701689.db2.gz RNVUBVMZJDPCRG-UHFFFAOYSA-N 0 1 380.434 -1.036 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001580162208 1075701737 /nfs/dbraw/zinc/70/17/37/1075701737.db2.gz RWAADZQJCNXKIQ-RTCCRHLQSA-N 0 1 392.445 -1.110 20 0 GAADMN CS(=O)(=O)CCCC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001580162398 1075702133 /nfs/dbraw/zinc/70/21/33/1075702133.db2.gz WJOTYNNCSKMXRQ-JTQLQIEISA-N 0 1 383.434 -1.603 20 0 GAADMN CS(=O)(=O)CCCC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001580162399 1075702030 /nfs/dbraw/zinc/70/20/30/1075702030.db2.gz WJOTYNNCSKMXRQ-SNVBAGLBSA-N 0 1 383.434 -1.603 20 0 GAADMN CS(=O)(=O)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001580162580 1075702349 /nfs/dbraw/zinc/70/23/49/1075702349.db2.gz ZLMFXUZHHQZHCY-BDAKNGLRSA-N 0 1 382.406 -2.243 20 0 GAADMN CS(=O)(=O)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001580162581 1075702312 /nfs/dbraw/zinc/70/23/12/1075702312.db2.gz ZLMFXUZHHQZHCY-RKDXNWHRSA-N 0 1 382.406 -2.243 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001580162584 1075702382 /nfs/dbraw/zinc/70/23/82/1075702382.db2.gz ZNCCAUCMALNZSL-CYBMUJFWSA-N 0 1 382.446 -1.132 20 0 GAADMN CS(=O)(=O)CCC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001580162585 1075702540 /nfs/dbraw/zinc/70/25/40/1075702540.db2.gz ZNCCAUCMALNZSL-ZDUSSCGKSA-N 0 1 382.446 -1.132 20 0 GAADMN CS(=O)(=O)N1CC[C@H](CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001580163922 1075702527 /nfs/dbraw/zinc/70/25/27/1075702527.db2.gz GSGGQTITDRGNGG-SECBINFHSA-N 0 1 384.426 -1.961 20 0 GAADMN CS(=O)(=O)N1CC[C@@H](CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001580163924 1075702427 /nfs/dbraw/zinc/70/24/27/1075702427.db2.gz GSGGQTITDRGNGG-VIFPVBQESA-N 0 1 384.426 -1.961 20 0 GAADMN CS(=O)(=O)N1CCC(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001580164871 1075702695 /nfs/dbraw/zinc/70/26/95/1075702695.db2.gz MHDHBYJZGWCGGK-UHFFFAOYSA-N 0 1 384.426 -1.819 20 0 GAADMN CS(=O)(=O)N1CC(CS(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001580165816 1075702886 /nfs/dbraw/zinc/70/28/86/1075702886.db2.gz TZYWOEDKDPHWFB-UHFFFAOYSA-N 0 1 391.439 -2.731 20 0 GAADMN CS(=O)(=O)NC[C@H]1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001580165819 1075702848 /nfs/dbraw/zinc/70/28/48/1075702848.db2.gz UBDKVWJZKQFDJP-SECBINFHSA-N 0 1 384.426 -1.961 20 0 GAADMN CS(=O)(=O)NC[C@@H]1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001580165820 1075702838 /nfs/dbraw/zinc/70/28/38/1075702838.db2.gz UBDKVWJZKQFDJP-VIFPVBQESA-N 0 1 384.426 -1.961 20 0 GAADMN CS(=O)(=O)N=S1(=O)CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001580166440 1075703234 /nfs/dbraw/zinc/70/32/34/1075703234.db2.gz XXPFNKLUCQRDBI-UHFFFAOYSA-N 0 1 389.423 -2.272 20 0 GAADMN CS(=O)(=O)NCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580167476 1075703468 /nfs/dbraw/zinc/70/34/68/1075703468.db2.gz CYVADQHVFKGGCG-SECBINFHSA-N 0 1 381.422 -1.969 20 0 GAADMN CS(=O)(=O)NCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580167477 1075703529 /nfs/dbraw/zinc/70/35/29/1075703529.db2.gz CYVADQHVFKGGCG-VIFPVBQESA-N 0 1 381.422 -1.969 20 0 GAADMN CS(=O)(=O)NCCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001580167502 1075703739 /nfs/dbraw/zinc/70/37/39/1075703739.db2.gz FMBLBDXTDXMONH-UHFFFAOYSA-N 0 1 380.434 -1.316 20 0 GAADMN CS(=O)(=O)NCCC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001580167531 1075703655 /nfs/dbraw/zinc/70/36/55/1075703655.db2.gz GYTBFDKUSSPNCG-UHFFFAOYSA-N 0 1 381.422 -1.755 20 0 GAADMN CS(=O)(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001580167626 1075704708 /nfs/dbraw/zinc/70/47/08/1075704708.db2.gz LNZWISMVLBQVGC-AOOOYVTPSA-N 0 1 380.434 -1.318 20 0 GAADMN CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001580167627 1075704615 /nfs/dbraw/zinc/70/46/15/1075704615.db2.gz LNZWISMVLBQVGC-MGCOHNPYSA-N 0 1 380.434 -1.318 20 0 GAADMN CS(=O)(=O)NCCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001580167631 1075704488 /nfs/dbraw/zinc/70/44/88/1075704488.db2.gz LVEYAUKHAMFPDG-UHFFFAOYSA-N 0 1 381.422 -1.921 20 0 GAADMN CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001580167684 1075704463 /nfs/dbraw/zinc/70/44/63/1075704463.db2.gz OLRSJXNZLNSTCF-YABSGUDNSA-N 0 1 392.445 -1.248 20 0 GAADMN CS(=O)(=O)NCCN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580167699 1075704555 /nfs/dbraw/zinc/70/45/55/1075704555.db2.gz OZXHYGJNSXHTEW-JTQLQIEISA-N 0 1 382.450 -1.204 20 0 GAADMN CS(=O)(=O)NCCN1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580167700 1075704481 /nfs/dbraw/zinc/70/44/81/1075704481.db2.gz OZXHYGJNSXHTEW-SNVBAGLBSA-N 0 1 382.450 -1.204 20 0 GAADMN CS(=O)(=O)NCCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001580167715 1075704973 /nfs/dbraw/zinc/70/49/73/1075704973.db2.gz PJTMVXLPNZWFNT-JTQLQIEISA-N 0 1 380.434 -1.364 20 0 GAADMN CS(=O)(=O)NCCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001580167716 1075704836 /nfs/dbraw/zinc/70/48/36/1075704836.db2.gz PJTMVXLPNZWFNT-SNVBAGLBSA-N 0 1 380.434 -1.364 20 0 GAADMN CS(=O)(=O)NCCN1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001580167725 1075704894 /nfs/dbraw/zinc/70/48/94/1075704894.db2.gz PVAXQBNTUXMRNZ-JTQLQIEISA-N 0 1 382.450 -1.204 20 0 GAADMN CS(=O)(=O)NCCN1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001580167726 1075704813 /nfs/dbraw/zinc/70/48/13/1075704813.db2.gz PVAXQBNTUXMRNZ-SNVBAGLBSA-N 0 1 382.450 -1.204 20 0 GAADMN CS(=O)(=O)NCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580167767 1075705306 /nfs/dbraw/zinc/70/53/06/1075705306.db2.gz RNEPHZQLXMVSKZ-SECBINFHSA-N 0 1 381.422 -1.709 20 0 GAADMN CS(=O)(=O)NCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580167768 1075705278 /nfs/dbraw/zinc/70/52/78/1075705278.db2.gz RNEPHZQLXMVSKZ-VIFPVBQESA-N 0 1 381.422 -1.709 20 0 GAADMN CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580167849 1075705321 /nfs/dbraw/zinc/70/53/21/1075705321.db2.gz WKBDDAKWZQWKSC-KYZUINATSA-N 0 1 381.422 -1.923 20 0 GAADMN C[S@](=O)CCN1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001580172245 1075705534 /nfs/dbraw/zinc/70/55/34/1075705534.db2.gz QDONJUKYMUTENV-DEOSSOPVSA-N 0 1 385.475 -1.054 20 0 GAADMN C[S@@](=O)CCN1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001580172246 1075705603 /nfs/dbraw/zinc/70/56/03/1075705603.db2.gz QDONJUKYMUTENV-XMMPIXPASA-N 0 1 385.475 -1.054 20 0 GAADMN CS[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H]1[NH+](C)C ZINC001580205409 1075706024 /nfs/dbraw/zinc/70/60/24/1075706024.db2.gz QRJREVMPXWYDRJ-NXEZZACHSA-N 0 1 380.434 -1.367 20 0 GAADMN CS[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1[NH+](C)C ZINC001580205411 1075705907 /nfs/dbraw/zinc/70/59/07/1075705907.db2.gz QRJREVMPXWYDRJ-UWVGGRQHSA-N 0 1 380.434 -1.367 20 0 GAADMN CS[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1[NH+](C)C ZINC001580205412 1075706112 /nfs/dbraw/zinc/70/61/12/1075706112.db2.gz QRJREVMPXWYDRJ-VHSXEESVSA-N 0 1 380.434 -1.367 20 0 GAADMN CS[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H]1[NH+](C)C ZINC001580205413 1075706137 /nfs/dbraw/zinc/70/61/37/1075706137.db2.gz QRJREVMPXWYDRJ-ZJUUUORDSA-N 0 1 380.434 -1.367 20 0 GAADMN CSc1[nH]c(=O)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1-c1nnn[n-]1 ZINC001580230964 1075706157 /nfs/dbraw/zinc/70/61/57/1075706157.db2.gz JNHJYLGIHULCPA-AWEZNQCLSA-N 0 1 381.418 -1.230 20 0 GAADMN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1-c1nnn[n-]1 ZINC001580230965 1075706178 /nfs/dbraw/zinc/70/61/78/1075706178.db2.gz JNHJYLGIHULCPA-CQSZACIVSA-N 0 1 381.418 -1.230 20 0 GAADMN C[C@@H](CCNC(=O)CN1CCN(C)C(=O)C1)Nc1ccncc1-c1nn[nH]n1 ZINC001580247245 1075706596 /nfs/dbraw/zinc/70/65/96/1075706596.db2.gz VAZKKVQFVAETSD-LBPRGKRZSA-N 0 1 387.448 -1.236 20 0 GAADMN C[C@@H](CCNC(=O)CS(=O)(=O)N(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580247282 1075706404 /nfs/dbraw/zinc/70/64/04/1075706404.db2.gz SBYPZSNFCJEHAC-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@@H](CCNC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001580248023 1075706606 /nfs/dbraw/zinc/70/66/06/1075706606.db2.gz WWMAJUQTPVUMHG-JTQLQIEISA-N 0 1 385.388 -1.047 20 0 GAADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580277567 1075706889 /nfs/dbraw/zinc/70/68/89/1075706889.db2.gz OLXYUQOGYFUWPG-QMMMGPOBSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580277567 1075706883 /nfs/dbraw/zinc/70/68/83/1075706883.db2.gz OLXYUQOGYFUWPG-QMMMGPOBSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CN1CCNC(=O)C1 ZINC001580277896 1075706843 /nfs/dbraw/zinc/70/68/43/1075706843.db2.gz XHEUSMUTRBRORG-JTQLQIEISA-N 0 1 378.462 -1.046 20 0 GAADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CN1CCNC(=O)C1 ZINC001580277896 1075706837 /nfs/dbraw/zinc/70/68/37/1075706837.db2.gz XHEUSMUTRBRORG-JTQLQIEISA-N 0 1 378.462 -1.046 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001580290045 1075707399 /nfs/dbraw/zinc/70/73/99/1075707399.db2.gz CEUHEWLYCACOEM-VIFPVBQESA-N 0 1 382.450 -1.072 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001580290200 1075707178 /nfs/dbraw/zinc/70/71/78/1075707178.db2.gz FKQBLONOBIQYRR-UWVGGRQHSA-N 0 1 384.408 -1.366 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001580290204 1075707293 /nfs/dbraw/zinc/70/72/93/1075707293.db2.gz FKQBLONOBIQYRR-VHSXEESVSA-N 0 1 384.408 -1.366 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001580290281 1075707262 /nfs/dbraw/zinc/70/72/62/1075707262.db2.gz HNGMBCZCRWWBTQ-LKFCYVNXSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001580290283 1075707223 /nfs/dbraw/zinc/70/72/23/1075707223.db2.gz HNGMBCZCRWWBTQ-XPTSAGLGSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001580290307 1075707234 /nfs/dbraw/zinc/70/72/34/1075707234.db2.gz IGIFALOJXLCGEJ-UWVGGRQHSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001580290309 1075707471 /nfs/dbraw/zinc/70/74/71/1075707471.db2.gz IGIFALOJXLCGEJ-VHSXEESVSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001580290325 1075707379 /nfs/dbraw/zinc/70/73/79/1075707379.db2.gz ITNXMWGZLSZAFJ-UWVGGRQHSA-N 0 1 383.420 -1.071 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001580290326 1075707309 /nfs/dbraw/zinc/70/73/09/1075707309.db2.gz ITNXMWGZLSZAFJ-VHSXEESVSA-N 0 1 383.420 -1.071 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001580290337 1075707191 /nfs/dbraw/zinc/70/71/91/1075707191.db2.gz JCSWQRHUDAUCHR-VIFPVBQESA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001580290427 1075707330 /nfs/dbraw/zinc/70/73/30/1075707330.db2.gz JVYZTVSHYUIYLO-VIFPVBQESA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCS(=O)(=O)N(C)C ZINC001580290464 1075707600 /nfs/dbraw/zinc/70/76/00/1075707600.db2.gz LTLDVDYHPJZTIT-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CNC(=O)c1ccccn1 ZINC001580290511 1075707785 /nfs/dbraw/zinc/70/77/85/1075707785.db2.gz MTTWFZLRJMVVLQ-JTQLQIEISA-N 0 1 382.388 -1.180 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CNC(=O)c1ccncc1 ZINC001580290822 1075707648 /nfs/dbraw/zinc/70/76/48/1075707648.db2.gz RQNZXGCDUSVFBE-JTQLQIEISA-N 0 1 382.388 -1.180 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001580290827 1075707754 /nfs/dbraw/zinc/70/77/54/1075707754.db2.gz RTTNCQGLBYEEHO-WPRPVWTQSA-N 0 1 383.376 -1.626 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1nc2ncccn2n1 ZINC001580290831 1075707766 /nfs/dbraw/zinc/70/77/66/1075707766.db2.gz RZNZOLYIHATFAN-VIFPVBQESA-N 0 1 380.376 -1.324 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CN1CCCS1(=O)=O ZINC001580290853 1075707664 /nfs/dbraw/zinc/70/76/64/1075707664.db2.gz SRSIIDOBRKBISQ-VIFPVBQESA-N 0 1 381.422 -1.969 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001580290914 1075707744 /nfs/dbraw/zinc/70/77/44/1075707744.db2.gz USQNEWZDNBIYNW-VIFPVBQESA-N 0 1 386.424 -1.021 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001580291210 1075707634 /nfs/dbraw/zinc/70/76/34/1075707634.db2.gz XFLVXOYYWXYDFX-QMMMGPOBSA-N 0 1 386.376 -2.294 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001580291337 1075707813 /nfs/dbraw/zinc/70/78/13/1075707813.db2.gz YLQBUVLSOUOKDI-UWVGGRQHSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCCS1(=O)=O ZINC001580291338 1075707681 /nfs/dbraw/zinc/70/76/81/1075707681.db2.gz YLQBUVLSOUOKDI-VHSXEESVSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001580291488 1075707692 /nfs/dbraw/zinc/70/76/92/1075707692.db2.gz BHKRYCCGQGMYIG-VIFPVBQESA-N 0 1 385.388 -1.689 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001580291529 1075707732 /nfs/dbraw/zinc/70/77/32/1075707732.db2.gz DHXDJVYXBYTDBO-JTQLQIEISA-N 0 1 385.388 -1.839 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCS(=O)(=O)N(C)C ZINC001580291751 1075707703 /nfs/dbraw/zinc/70/77/03/1075707703.db2.gz JOKOETDQHDBKCK-JTQLQIEISA-N 0 1 382.450 -1.118 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CNS(=O)(=O)N(C)C ZINC001580291909 1075707792 /nfs/dbraw/zinc/70/77/92/1075707792.db2.gz MDXTWUHPVSVIPM-VIFPVBQESA-N 0 1 383.438 -2.004 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001580292500 1075707772 /nfs/dbraw/zinc/70/77/72/1075707772.db2.gz ZCOLEERUJYGNKP-ZANVPECISA-N 0 1 382.388 -1.021 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CCCS1(=O)=O ZINC001580292536 1075707800 /nfs/dbraw/zinc/70/78/00/1075707800.db2.gz ZYSNSJPOFDVHRL-JTQLQIEISA-N 0 1 380.434 -1.364 20 0 GAADMN C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580312758 1075708699 /nfs/dbraw/zinc/70/86/99/1075708699.db2.gz NBPHRUKTOKAPJU-MNOVXSKESA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580313212 1075708388 /nfs/dbraw/zinc/70/83/88/1075708388.db2.gz WEESGWCGLOWPMB-MNOVXSKESA-N 0 1 384.408 -1.196 20 0 GAADMN C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580315498 1075708592 /nfs/dbraw/zinc/70/85/92/1075708592.db2.gz RCBHZWVLPOBQBR-ZJUUUORDSA-N 0 1 384.408 -1.045 20 0 GAADMN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001580318925 1075708556 /nfs/dbraw/zinc/70/85/56/1075708556.db2.gz DDXRNQYNWXBMKA-NOZJJQNGSA-N 0 1 384.400 -1.005 20 0 GAADMN C[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580321579 1075708478 /nfs/dbraw/zinc/70/84/78/1075708478.db2.gz FMUJEGHNHVPACN-GMTAPVOTSA-N 0 1 392.445 -1.085 20 0 GAADMN C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580321580 1075708500 /nfs/dbraw/zinc/70/85/00/1075708500.db2.gz FMUJEGHNHVPACN-MXWKQRLJSA-N 0 1 392.445 -1.085 20 0 GAADMN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580321958 1075708354 /nfs/dbraw/zinc/70/83/54/1075708354.db2.gz KEBGFOYGNKERPU-NXEZZACHSA-N 0 1 392.445 -1.370 20 0 GAADMN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580322772 1075709096 /nfs/dbraw/zinc/70/90/96/1075709096.db2.gz SXCVFNXVGFNYKX-GMTAPVOTSA-N 0 1 386.420 -1.391 20 0 GAADMN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580322773 1075709122 /nfs/dbraw/zinc/70/91/22/1075709122.db2.gz SXCVFNXVGFNYKX-MXWKQRLJSA-N 0 1 386.420 -1.391 20 0 GAADMN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580322790 1075708941 /nfs/dbraw/zinc/70/89/41/1075708941.db2.gz UEQCKQOVHASXGC-GMTAPVOTSA-N 0 1 392.445 -1.228 20 0 GAADMN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580322791 1075708869 /nfs/dbraw/zinc/70/88/69/1075708869.db2.gz UEQCKQOVHASXGC-OUAUKWLOSA-N 0 1 392.445 -1.228 20 0 GAADMN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001580322922 1075708911 /nfs/dbraw/zinc/70/89/11/1075708911.db2.gz ZDDUERNCEPLXRR-JIMOISOXSA-N 0 1 392.445 -1.366 20 0 GAADMN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001580322923 1075709114 /nfs/dbraw/zinc/70/91/14/1075709114.db2.gz ZDDUERNCEPLXRR-OASPWFOLSA-N 0 1 392.445 -1.366 20 0 GAADMN C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580326563 1075708855 /nfs/dbraw/zinc/70/88/55/1075708855.db2.gz BSWVVLZMGIGSEQ-NXEZZACHSA-N 0 1 395.449 -1.771 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001580326760 1075708924 /nfs/dbraw/zinc/70/89/24/1075708924.db2.gz YLPRNFVXINBZDA-BXUZGUMPSA-N 0 1 385.432 -1.626 20 0 GAADMN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001580327959 1075708896 /nfs/dbraw/zinc/70/88/96/1075708896.db2.gz LWGNFMRFLNAWSD-GHMZBOCLSA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001580327991 1075709026 /nfs/dbraw/zinc/70/90/26/1075709026.db2.gz OZUMZFPXVOMYKZ-GHMZBOCLSA-N 0 1 384.408 -1.338 20 0 GAADMN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580329341 1075709107 /nfs/dbraw/zinc/70/91/07/1075709107.db2.gz QLVBXEUFOHDQQD-MXWKQRLJSA-N 0 1 386.420 -1.120 20 0 GAADMN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001580329460 1075709499 /nfs/dbraw/zinc/70/94/99/1075709499.db2.gz ZDHIMLNKZGMPSP-JFUSQASVSA-N 0 1 385.388 -1.460 20 0 GAADMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001580329703 1075709354 /nfs/dbraw/zinc/70/93/54/1075709354.db2.gz JHCGWDBZVSHMMF-NXEZZACHSA-N 0 1 382.388 -1.018 20 0 GAADMN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580330443 1075709466 /nfs/dbraw/zinc/70/94/66/1075709466.db2.gz NWWKQQXYZOQQGW-CHWFTXMASA-N 0 1 387.404 -1.630 20 0 GAADMN C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001580336179 1075709820 /nfs/dbraw/zinc/70/98/20/1075709820.db2.gz VAVFHHVNVMCGIH-NXEZZACHSA-N 0 1 384.404 -1.312 20 0 GAADMN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001580337557 1075709894 /nfs/dbraw/zinc/70/98/94/1075709894.db2.gz JBOBGFHANKQNDU-NXEZZACHSA-N 0 1 384.408 -1.188 20 0 GAADMN C[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C[C@H]1CS(N)(=O)=O ZINC001580344654 1075709968 /nfs/dbraw/zinc/70/99/68/1075709968.db2.gz HLGCDMGIYOMYJZ-BDAKNGLRSA-N 0 1 387.447 -1.193 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001580350001 1075710465 /nfs/dbraw/zinc/71/04/65/1075710465.db2.gz AMTUUTCDMWYVLJ-NXEZZACHSA-N 0 1 385.392 -1.807 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001580350027 1075710259 /nfs/dbraw/zinc/71/02/59/1075710259.db2.gz AYQMKQDUOIUOLO-CHWFTXMASA-N 0 1 387.404 -1.370 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001580350079 1075710379 /nfs/dbraw/zinc/71/03/79/1075710379.db2.gz BUCJODUOWHLUCK-PSASIEDQSA-N 0 1 378.418 -1.358 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001580350337 1075710455 /nfs/dbraw/zinc/71/04/55/1075710455.db2.gz GCAMPYIVNRRNRR-GHMZBOCLSA-N 0 1 386.420 -1.971 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001580351244 1075710719 /nfs/dbraw/zinc/71/07/19/1075710719.db2.gz CFFPUQVWFOZZGN-NXEZZACHSA-N 0 1 392.445 -1.110 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001580351408 1075710921 /nfs/dbraw/zinc/71/09/21/1075710921.db2.gz GGBNOHIEEFPOFH-GHMZBOCLSA-N 0 1 384.408 -1.078 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CCNC(=O)[C@H]1CNC(=O)N1 ZINC001580351415 1075710976 /nfs/dbraw/zinc/71/09/76/1075710976.db2.gz GMRMYYYNXZYZHW-GMTAPVOTSA-N 0 1 386.420 -1.083 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001580351416 1075710757 /nfs/dbraw/zinc/71/07/57/1075710757.db2.gz GMRMYYYNXZYZHW-MXWKQRLJSA-N 0 1 386.420 -1.083 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001580351604 1075710835 /nfs/dbraw/zinc/71/08/35/1075710835.db2.gz JYRQBYOKSODOOK-GMTAPVOTSA-N 0 1 386.420 -1.131 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001580351605 1075710771 /nfs/dbraw/zinc/71/07/71/1075710771.db2.gz JYRQBYOKSODOOK-MXWKQRLJSA-N 0 1 386.420 -1.131 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001580351684 1075710791 /nfs/dbraw/zinc/71/07/91/1075710791.db2.gz NWSQYLYNKOMEMW-GHMZBOCLSA-N 0 1 384.408 -1.078 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001580351805 1075710746 /nfs/dbraw/zinc/71/07/46/1075710746.db2.gz PHEODZIZVQVTDM-NXEZZACHSA-N 0 1 380.434 -1.110 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)CCn1cnnn1 ZINC001580352264 1075710943 /nfs/dbraw/zinc/71/09/43/1075710943.db2.gz WFUGJLAVYAFECC-GHMZBOCLSA-N 0 1 384.408 -1.078 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001580352383 1075710681 /nfs/dbraw/zinc/71/06/81/1075710681.db2.gz YMBDWJRGPCNZMB-MWLCHTKSSA-N 0 1 399.415 -1.102 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001580375056 1075711942 /nfs/dbraw/zinc/71/19/42/1075711942.db2.gz SKVBRODUBWXXCQ-SCZZXKLOSA-N 0 1 378.418 -1.215 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001580378170 1075712325 /nfs/dbraw/zinc/71/23/25/1075712325.db2.gz VZOZLJDQUFKWSA-MNOVXSKESA-N 0 1 387.404 -1.401 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001580379246 1075712651 /nfs/dbraw/zinc/71/26/51/1075712651.db2.gz AFIJPCGAUKQRAR-ZJUUUORDSA-N 0 1 385.392 -1.665 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001580380464 1075712883 /nfs/dbraw/zinc/71/28/83/1075712883.db2.gz YRYWIRLRNHJRJH-VPOLOUISSA-N 0 1 387.404 -1.227 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001580385410 1075713590 /nfs/dbraw/zinc/71/35/90/1075713590.db2.gz HYQMYYMCOMKHSQ-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001580385410 1075713587 /nfs/dbraw/zinc/71/35/87/1075713587.db2.gz HYQMYYMCOMKHSQ-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(CCO)CCNc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001580385410 1075713585 /nfs/dbraw/zinc/71/35/85/1075713585.db2.gz HYQMYYMCOMKHSQ-VXGBXAGGSA-N 0 1 375.437 -1.348 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001580386183 1075713662 /nfs/dbraw/zinc/71/36/62/1075713662.db2.gz OOUSJPIKPKXFFH-GRYCIOLGSA-N 0 1 375.437 -1.350 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001580386183 1075713658 /nfs/dbraw/zinc/71/36/58/1075713658.db2.gz OOUSJPIKPKXFFH-GRYCIOLGSA-N 0 1 375.437 -1.350 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001580386183 1075713657 /nfs/dbraw/zinc/71/36/57/1075713657.db2.gz OOUSJPIKPKXFFH-GRYCIOLGSA-N 0 1 375.437 -1.350 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001580386188 1075713554 /nfs/dbraw/zinc/71/35/54/1075713554.db2.gz OOUSJPIKPKXFFH-IJLUTSLNSA-N 0 1 375.437 -1.350 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001580386188 1075713550 /nfs/dbraw/zinc/71/35/50/1075713550.db2.gz OOUSJPIKPKXFFH-IJLUTSLNSA-N 0 1 375.437 -1.350 20 0 GAADMN C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001580386188 1075713547 /nfs/dbraw/zinc/71/35/47/1075713547.db2.gz OOUSJPIKPKXFFH-IJLUTSLNSA-N 0 1 375.437 -1.350 20 0 GAADMN C[C@@]1(C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CCC(=O)N1 ZINC001580388962 1075714463 /nfs/dbraw/zinc/71/44/63/1075714463.db2.gz IVCCTGPSURRDRC-DIFFPNOSSA-N 0 1 386.416 -1.008 20 0 GAADMN C[C@@]1(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCC(=O)N1 ZINC001580388963 1075714614 /nfs/dbraw/zinc/71/46/14/1075714614.db2.gz IVCCTGPSURRDRC-GTNSWQLSSA-N 0 1 386.416 -1.008 20 0 GAADMN C[C@@]1(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC(=O)N1 ZINC001580389096 1075714644 /nfs/dbraw/zinc/71/46/44/1075714644.db2.gz OPUGZWGFOUYHNK-HOTGVXAUSA-N 0 1 387.404 -1.617 20 0 GAADMN C[C@@]1(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC(=O)N1 ZINC001580389097 1075714438 /nfs/dbraw/zinc/71/44/38/1075714438.db2.gz OPUGZWGFOUYHNK-JKSUJKDBSA-N 0 1 387.404 -1.617 20 0 GAADMN C[C@@]1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CCC(=O)N1 ZINC001580389798 1075714807 /nfs/dbraw/zinc/71/48/07/1075714807.db2.gz YBQYRHQUGRCEMO-HWPZZCPQSA-N 0 1 387.404 -1.353 20 0 GAADMN C[C@@]1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CCC(=O)N1 ZINC001580389799 1075714994 /nfs/dbraw/zinc/71/49/94/1075714994.db2.gz YBQYRHQUGRCEMO-QFYYESIMSA-N 0 1 387.404 -1.353 20 0 GAADMN C[C@@]1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CCC(=O)N1 ZINC001580390006 1075714783 /nfs/dbraw/zinc/71/47/83/1075714783.db2.gz NPKGRKAMZCSWCE-HNNXBMFYSA-N 0 1 375.393 -2.020 20 0 GAADMN C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)CCC(=O)N1 ZINC001580391629 1075715285 /nfs/dbraw/zinc/71/52/85/1075715285.db2.gz DDXJBDACOHJHGK-HWPZZCPQSA-N 0 1 387.404 -1.353 20 0 GAADMN C[C@@]1(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)CCC(=O)N1 ZINC001580391633 1075715383 /nfs/dbraw/zinc/71/53/83/1075715383.db2.gz DDXJBDACOHJHGK-QFYYESIMSA-N 0 1 387.404 -1.353 20 0 GAADMN C[C@@]12CN(CC(=O)NC(N)=O)C[C@@H]1CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001580391877 1075715474 /nfs/dbraw/zinc/71/54/74/1075715474.db2.gz HKVLCOLDYXILDY-ABKXIKBNSA-N 0 1 387.404 -1.216 20 0 GAADMN C[C@@]12CN(CC(=O)NC(N)=O)C[C@@H]1CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001580392495 1075715888 /nfs/dbraw/zinc/71/58/88/1075715888.db2.gz UFIUWVCBMFJBQL-HWPZZCPQSA-N 0 1 387.404 -1.216 20 0 GAADMN C[C@@]12CN(CC(=O)NC(N)=O)C[C@@H]1CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001580392653 1075715864 /nfs/dbraw/zinc/71/58/64/1075715864.db2.gz ZJIJPONDXBHLIX-HWPZZCPQSA-N 0 1 387.404 -1.216 20 0 GAADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580405774 1075716215 /nfs/dbraw/zinc/71/62/15/1075716215.db2.gz HDGUXTVCWLFFCR-MRVPVSSYSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580405774 1075716211 /nfs/dbraw/zinc/71/62/11/1075716211.db2.gz HDGUXTVCWLFFCR-MRVPVSSYSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580405927 1075716513 /nfs/dbraw/zinc/71/65/13/1075716513.db2.gz OLXYUQOGYFUWPG-MRVPVSSYSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580405927 1075716512 /nfs/dbraw/zinc/71/65/12/1075716512.db2.gz OLXYUQOGYFUWPG-MRVPVSSYSA-N 0 1 390.433 -1.087 20 0 GAADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CN1CCNC(=O)C1 ZINC001580406130 1075716435 /nfs/dbraw/zinc/71/64/35/1075716435.db2.gz XHEUSMUTRBRORG-SNVBAGLBSA-N 0 1 378.462 -1.046 20 0 GAADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CN1CCNC(=O)C1 ZINC001580406130 1075716429 /nfs/dbraw/zinc/71/64/29/1075716429.db2.gz XHEUSMUTRBRORG-SNVBAGLBSA-N 0 1 378.462 -1.046 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001580413864 1075716570 /nfs/dbraw/zinc/71/65/70/1075716570.db2.gz BNTJQPHAMHXPBO-SECBINFHSA-N 0 1 392.445 -1.180 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001580413973 1075716493 /nfs/dbraw/zinc/71/64/93/1075716493.db2.gz HNGMBCZCRWWBTQ-OTYXRUKQSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001580413974 1075716586 /nfs/dbraw/zinc/71/65/86/1075716586.db2.gz HNGMBCZCRWWBTQ-YMTOWFKASA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001580414008 1075716610 /nfs/dbraw/zinc/71/66/10/1075716610.db2.gz ITNXMWGZLSZAFJ-NXEZZACHSA-N 0 1 383.420 -1.071 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001580414009 1075716478 /nfs/dbraw/zinc/71/64/78/1075716478.db2.gz ITNXMWGZLSZAFJ-ZJUUUORDSA-N 0 1 383.420 -1.071 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CCS(=O)(=O)CC1 ZINC001580414022 1075717019 /nfs/dbraw/zinc/71/70/19/1075717019.db2.gz JCSWQRHUDAUCHR-SECBINFHSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001580414040 1075717035 /nfs/dbraw/zinc/71/70/35/1075717035.db2.gz JVYZTVSHYUIYLO-SECBINFHSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCCS1(=O)=O ZINC001580414388 1075717061 /nfs/dbraw/zinc/71/70/61/1075717061.db2.gz YLQBUVLSOUOKDI-NXEZZACHSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001580414389 1075717104 /nfs/dbraw/zinc/71/71/04/1075717104.db2.gz YLQBUVLSOUOKDI-ZJUUUORDSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H]1CCCS1(=O)=O ZINC001580416377 1075716916 /nfs/dbraw/zinc/71/69/16/1075716916.db2.gz BYHWTSYPBZTHMF-NXEZZACHSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001580416378 1075717096 /nfs/dbraw/zinc/71/70/96/1075717096.db2.gz BYHWTSYPBZTHMF-ZJUUUORDSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCC(=O)N1CCOCC1 ZINC001580416513 1075717073 /nfs/dbraw/zinc/71/70/73/1075717073.db2.gz IZFPDQNKWLLFIO-LLVKDONJSA-N 0 1 389.420 -1.366 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001580416546 1075717086 /nfs/dbraw/zinc/71/70/86/1075717086.db2.gz KQBSTIOQFDIDQD-SECBINFHSA-N 0 1 386.376 -2.444 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCS(=O)(=O)N(C)C ZINC001580416664 1075716937 /nfs/dbraw/zinc/71/69/37/1075716937.db2.gz LTLDVDYHPJZTIT-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CNC(=O)c1ccccn1 ZINC001580416689 1075716805 /nfs/dbraw/zinc/71/68/05/1075716805.db2.gz MTTWFZLRJMVVLQ-SNVBAGLBSA-N 0 1 382.388 -1.180 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CNC(=O)c1ccncc1 ZINC001580417000 1075716882 /nfs/dbraw/zinc/71/68/82/1075716882.db2.gz RQNZXGCDUSVFBE-SNVBAGLBSA-N 0 1 382.388 -1.180 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001580417005 1075716822 /nfs/dbraw/zinc/71/68/22/1075716822.db2.gz RTTNCQGLBYEEHO-SCZZXKLOSA-N 0 1 383.376 -1.626 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CN1CCCS1(=O)=O ZINC001580417020 1075716841 /nfs/dbraw/zinc/71/68/41/1075716841.db2.gz SRSIIDOBRKBISQ-SECBINFHSA-N 0 1 381.422 -1.969 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001580417155 1075716973 /nfs/dbraw/zinc/71/69/73/1075716973.db2.gz USQNEWZDNBIYNW-SECBINFHSA-N 0 1 386.424 -1.021 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001580417214 1075717049 /nfs/dbraw/zinc/71/70/49/1075717049.db2.gz XFLVXOYYWXYDFX-MRVPVSSYSA-N 0 1 386.376 -2.294 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001580417553 1075717001 /nfs/dbraw/zinc/71/70/01/1075717001.db2.gz CEUHEWLYCACOEM-SECBINFHSA-N 0 1 382.450 -1.072 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001580417587 1075716989 /nfs/dbraw/zinc/71/69/89/1075716989.db2.gz DHXDJVYXBYTDBO-SNVBAGLBSA-N 0 1 385.388 -1.839 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCS(=O)(=O)N(C)C ZINC001580417721 1075717500 /nfs/dbraw/zinc/71/75/00/1075717500.db2.gz JOKOETDQHDBKCK-SNVBAGLBSA-N 0 1 382.450 -1.118 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CNS(=O)(=O)N(C)C ZINC001580417792 1075717510 /nfs/dbraw/zinc/71/75/10/1075717510.db2.gz MDXTWUHPVSVIPM-SECBINFHSA-N 0 1 383.438 -2.004 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CCCS1(=O)=O ZINC001580418111 1075717419 /nfs/dbraw/zinc/71/74/19/1075717419.db2.gz ZYSNSJPOFDVHRL-SNVBAGLBSA-N 0 1 380.434 -1.364 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001580419110 1075717447 /nfs/dbraw/zinc/71/74/47/1075717447.db2.gz ZCOLEERUJYGNKP-RNCFNFMXSA-N 0 1 382.388 -1.021 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001580437258 1075718324 /nfs/dbraw/zinc/71/83/24/1075718324.db2.gz HQJRMHIHELMOPB-DTWKUNHWSA-N 0 1 382.450 -1.106 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001580437258 1075718317 /nfs/dbraw/zinc/71/83/17/1075718317.db2.gz HQJRMHIHELMOPB-DTWKUNHWSA-N 0 1 382.450 -1.106 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001580437259 1075718143 /nfs/dbraw/zinc/71/81/43/1075718143.db2.gz HQJRMHIHELMOPB-IUCAKERBSA-N 0 1 382.450 -1.106 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001580437259 1075718139 /nfs/dbraw/zinc/71/81/39/1075718139.db2.gz HQJRMHIHELMOPB-IUCAKERBSA-N 0 1 382.450 -1.106 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001580437571 1075718131 /nfs/dbraw/zinc/71/81/31/1075718131.db2.gz KSNMSFBMWUWXSP-UWVGGRQHSA-N 0 1 377.409 -1.426 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001580437572 1075718376 /nfs/dbraw/zinc/71/83/76/1075718376.db2.gz KSNMSFBMWUWXSP-VHSXEESVSA-N 0 1 377.409 -1.426 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001580438378 1075718655 /nfs/dbraw/zinc/71/86/55/1075718655.db2.gz AJVIYQFZQWZRRQ-AXFHLTTASA-N 0 1 386.420 -1.002 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001580438812 1075719103 /nfs/dbraw/zinc/71/91/03/1075719103.db2.gz LDYWVNTXUWOSPE-QWRGUYRKSA-N 0 1 389.420 -1.230 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001580438813 1075719165 /nfs/dbraw/zinc/71/91/65/1075719165.db2.gz LDYWVNTXUWOSPE-WDEREUQCSA-N 0 1 389.420 -1.230 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001580439716 1075719560 /nfs/dbraw/zinc/71/95/60/1075719560.db2.gz ZMSWADPDPPDHNJ-UWVGGRQHSA-N 0 1 375.393 -1.620 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001580439717 1075719362 /nfs/dbraw/zinc/71/93/62/1075719362.db2.gz ZMSWADPDPPDHNJ-VHSXEESVSA-N 0 1 375.393 -1.620 20 0 GAADMN C[C@H](O)C[NH+]1CCN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001580441774 1075720446 /nfs/dbraw/zinc/72/04/46/1075720446.db2.gz UQZCLQQEVZWMMO-JTQLQIEISA-N 0 1 378.393 -1.956 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001580446698 1075720522 /nfs/dbraw/zinc/72/05/22/1075720522.db2.gz IQJMCWBIRIZZHF-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001580446698 1075720518 /nfs/dbraw/zinc/72/05/18/1075720518.db2.gz IQJMCWBIRIZZHF-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@H](CO)Nc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001580446698 1075720513 /nfs/dbraw/zinc/72/05/13/1075720513.db2.gz IQJMCWBIRIZZHF-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001580446700 1075720495 /nfs/dbraw/zinc/72/04/95/1075720495.db2.gz IQJMCWBIRIZZHF-SRVKXCTJSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001580446700 1075720493 /nfs/dbraw/zinc/72/04/93/1075720493.db2.gz IQJMCWBIRIZZHF-SRVKXCTJSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001580446700 1075720489 /nfs/dbraw/zinc/72/04/89/1075720489.db2.gz IQJMCWBIRIZZHF-SRVKXCTJSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001580446712 1075720554 /nfs/dbraw/zinc/72/05/54/1075720554.db2.gz JPHDVRGVPUTKKG-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001580446712 1075720551 /nfs/dbraw/zinc/72/05/51/1075720551.db2.gz JPHDVRGVPUTKKG-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001580446712 1075720547 /nfs/dbraw/zinc/72/05/47/1075720547.db2.gz JPHDVRGVPUTKKG-SDDRHHMPSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001580446713 1075720348 /nfs/dbraw/zinc/72/03/48/1075720348.db2.gz JPHDVRGVPUTKKG-SRVKXCTJSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001580446713 1075720344 /nfs/dbraw/zinc/72/03/44/1075720344.db2.gz JPHDVRGVPUTKKG-SRVKXCTJSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001580446713 1075720342 /nfs/dbraw/zinc/72/03/42/1075720342.db2.gz JPHDVRGVPUTKKG-SRVKXCTJSA-N 0 1 375.437 -1.302 20 0 GAADMN C[C@]12CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001580458217 1075720725 /nfs/dbraw/zinc/72/07/25/1075720725.db2.gz SDAQZDIGDFMGCZ-LSYCYVAJSA-N 0 1 384.404 -1.377 20 0 GAADMN C[C@]12CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001580458218 1075720873 /nfs/dbraw/zinc/72/08/73/1075720873.db2.gz SDAQZDIGDFMGCZ-LYGAQUJYSA-N 0 1 384.404 -1.377 20 0 GAADMN C[C@]12CN(C(=O)CCNC(N)=O)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001580458511 1075720887 /nfs/dbraw/zinc/72/08/87/1075720887.db2.gz YUMJBSWGMUNHES-HWPZZCPQSA-N 0 1 386.420 -1.000 20 0 GAADMN C[C@]12CN(C(=O)Cn3ncnn3)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001580459103 1075720827 /nfs/dbraw/zinc/72/08/27/1075720827.db2.gz HQNVVQDXIVFWSI-BMIGLBTASA-N 0 1 382.392 -1.372 20 0 GAADMN C[C@]12CN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)C[C@H]1CS(=O)(=O)C2 ZINC001580459523 1075720919 /nfs/dbraw/zinc/72/09/19/1075720919.db2.gz NNVZDOASSIETFS-TVQRCGJNSA-N 0 1 381.422 -1.466 20 0 GAADMN C[C@]12CN(C(=O)CS(C)(=O)=O)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001580459606 1075720931 /nfs/dbraw/zinc/72/09/31/1075720931.db2.gz PAOVTBXPZFHCCG-BMIGLBTASA-N 0 1 392.445 -1.014 20 0 GAADMN C[C@]12CN(C(=O)Cn3cnnn3)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001580459847 1075720939 /nfs/dbraw/zinc/72/09/39/1075720939.db2.gz SUEUWGZQAWRSMG-BMIGLBTASA-N 0 1 382.392 -1.372 20 0 GAADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580467806 1075721415 /nfs/dbraw/zinc/72/14/15/1075721415.db2.gz QSSNTBDNKQGTDJ-SECBINFHSA-N 0 1 386.376 -1.231 20 0 GAADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001580467807 1075721313 /nfs/dbraw/zinc/72/13/13/1075721313.db2.gz QSSNTBDNKQGTDJ-VIFPVBQESA-N 0 1 386.376 -1.231 20 0 GAADMN Cc1c(C(=O)N(C)C[C@@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)nnn1C ZINC001580527485 1075723114 /nfs/dbraw/zinc/72/31/14/1075723114.db2.gz MBTSMYOVGSAARF-JTQLQIEISA-N 0 1 387.408 -1.337 20 0 GAADMN Cc1c(C(=O)N(C)C[C@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)nnn1C ZINC001580527486 1075723183 /nfs/dbraw/zinc/72/31/83/1075723183.db2.gz MBTSMYOVGSAARF-SNVBAGLBSA-N 0 1 387.408 -1.337 20 0 GAADMN Cc1c(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)nnn1C ZINC001580532238 1075723481 /nfs/dbraw/zinc/72/34/81/1075723481.db2.gz WPABCFSBBMVAQJ-JTQLQIEISA-N 0 1 385.392 -1.531 20 0 GAADMN Cc1c(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)nnn1C ZINC001580532239 1075723437 /nfs/dbraw/zinc/72/34/37/1075723437.db2.gz WPABCFSBBMVAQJ-SNVBAGLBSA-N 0 1 385.392 -1.531 20 0 GAADMN Cc1c(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)nnn1C ZINC001580542858 1075724267 /nfs/dbraw/zinc/72/42/67/1075724267.db2.gz MQKRQISOSFMBPH-JTQLQIEISA-N 0 1 385.392 -1.271 20 0 GAADMN Cc1c(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)nnn1C ZINC001580542859 1075724474 /nfs/dbraw/zinc/72/44/74/1075724474.db2.gz MQKRQISOSFMBPH-SNVBAGLBSA-N 0 1 385.392 -1.271 20 0 GAADMN Cc1c(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nnn1C ZINC001580543059 1075724556 /nfs/dbraw/zinc/72/45/56/1075724556.db2.gz SNBSVYDWCLKYFE-HNNXBMFYSA-N 0 1 385.392 -1.535 20 0 GAADMN Cc1c(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nnn1C ZINC001580543060 1075724284 /nfs/dbraw/zinc/72/42/84/1075724284.db2.gz SNBSVYDWCLKYFE-OAHLLOKOSA-N 0 1 385.392 -1.535 20 0 GAADMN Cc1c(C(=O)NCCOCCCNc2ccnc(-c3nn[nH]n3)n2)nnn1C ZINC001580543334 1075724926 /nfs/dbraw/zinc/72/49/26/1075724926.db2.gz DIRNUPLDJWBXGS-UHFFFAOYSA-N 0 1 387.408 -1.236 20 0 GAADMN Cc1c(CC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001580547992 1075724943 /nfs/dbraw/zinc/72/49/43/1075724943.db2.gz GHZTWCJQUQTEBO-UHFFFAOYSA-N 0 1 386.420 -1.404 20 0 GAADMN Cc1c(CCC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001580550723 1075724897 /nfs/dbraw/zinc/72/48/97/1075724897.db2.gz BXEHQZQLRWVNSF-GFCCVEGCSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1c(CCC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001580550724 1075724734 /nfs/dbraw/zinc/72/47/34/1075724734.db2.gz BXEHQZQLRWVNSF-LBPRGKRZSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1c(CCC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001580550841 1075725254 /nfs/dbraw/zinc/72/52/54/1075725254.db2.gz ISCCUVHYMQSTMW-GFCCVEGCSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1c(CCC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001580550842 1075725219 /nfs/dbraw/zinc/72/52/19/1075725219.db2.gz ISCCUVHYMQSTMW-LBPRGKRZSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1c(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cnn1C ZINC001580551015 1075725351 /nfs/dbraw/zinc/72/53/51/1075725351.db2.gz PYIVITMVZUUKSN-NEPJUHHUSA-N 0 1 384.404 -1.393 20 0 GAADMN Cc1c(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cnn1C ZINC001580551016 1075725243 /nfs/dbraw/zinc/72/52/43/1075725243.db2.gz PYIVITMVZUUKSN-VXGBXAGGSA-N 0 1 384.404 -1.393 20 0 GAADMN Cc1c(Cl)c(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001580552842 1075725371 /nfs/dbraw/zinc/72/53/71/1075725371.db2.gz PZHGNXGRZUTHJH-MRVPVSSYSA-N 0 1 392.811 -1.023 20 0 GAADMN Cc1c(Cl)c(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001580552844 1075725292 /nfs/dbraw/zinc/72/52/92/1075725292.db2.gz PZHGNXGRZUTHJH-QMMMGPOBSA-N 0 1 392.811 -1.023 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001580660249 1075728960 /nfs/dbraw/zinc/72/89/60/1075728960.db2.gz WORIFULXCOMQBY-AAEUAGOBSA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001580660249 1075728956 /nfs/dbraw/zinc/72/89/56/1075728956.db2.gz WORIFULXCOMQBY-AAEUAGOBSA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001580660250 1075729125 /nfs/dbraw/zinc/72/91/25/1075729125.db2.gz WORIFULXCOMQBY-DGCLKSJQSA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001580660250 1075729122 /nfs/dbraw/zinc/72/91/22/1075729122.db2.gz WORIFULXCOMQBY-DGCLKSJQSA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001580660251 1075729401 /nfs/dbraw/zinc/72/94/01/1075729401.db2.gz WORIFULXCOMQBY-WCQYABFASA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001580660251 1075729397 /nfs/dbraw/zinc/72/93/97/1075729397.db2.gz WORIFULXCOMQBY-WCQYABFASA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001580660252 1075729359 /nfs/dbraw/zinc/72/93/59/1075729359.db2.gz WORIFULXCOMQBY-YPMHNXCESA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001580660252 1075729354 /nfs/dbraw/zinc/72/93/54/1075729354.db2.gz WORIFULXCOMQBY-YPMHNXCESA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001580663021 1075730080 /nfs/dbraw/zinc/73/00/80/1075730080.db2.gz YWSWNBDCDGWXLV-INIZCTEOSA-N 0 1 375.437 -1.026 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001580663021 1075730078 /nfs/dbraw/zinc/73/00/78/1075730078.db2.gz YWSWNBDCDGWXLV-INIZCTEOSA-N 0 1 375.437 -1.026 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001580663022 1075730222 /nfs/dbraw/zinc/73/02/22/1075730222.db2.gz YWSWNBDCDGWXLV-MRXNPFEDSA-N 0 1 375.437 -1.026 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001580663022 1075730218 /nfs/dbraw/zinc/73/02/18/1075730218.db2.gz YWSWNBDCDGWXLV-MRXNPFEDSA-N 0 1 375.437 -1.026 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001580677511 1075731511 /nfs/dbraw/zinc/73/15/11/1075731511.db2.gz DNXWZVIEDOYKIN-IACUBPJLSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001580677511 1075731507 /nfs/dbraw/zinc/73/15/07/1075731507.db2.gz DNXWZVIEDOYKIN-IACUBPJLSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001580677511 1075731499 /nfs/dbraw/zinc/73/14/99/1075731499.db2.gz DNXWZVIEDOYKIN-IACUBPJLSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001580677511 1075731495 /nfs/dbraw/zinc/73/14/95/1075731495.db2.gz DNXWZVIEDOYKIN-IACUBPJLSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001580677512 1075731464 /nfs/dbraw/zinc/73/14/64/1075731464.db2.gz DNXWZVIEDOYKIN-MRVWCRGKSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001580677512 1075731459 /nfs/dbraw/zinc/73/14/59/1075731459.db2.gz DNXWZVIEDOYKIN-MRVWCRGKSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001580677512 1075731454 /nfs/dbraw/zinc/73/14/54/1075731454.db2.gz DNXWZVIEDOYKIN-MRVWCRGKSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001580677512 1075731448 /nfs/dbraw/zinc/73/14/48/1075731448.db2.gz DNXWZVIEDOYKIN-MRVWCRGKSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)CCc3cnc[nH]3)C2)n1 ZINC001580677597 1075731688 /nfs/dbraw/zinc/73/16/88/1075731688.db2.gz ILQKIOYFDANKNQ-CHWSQXEVSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001580677615 1075731586 /nfs/dbraw/zinc/73/15/86/1075731586.db2.gz JBUHQAQJLVHVKF-LERXQTSPSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001580677615 1075731583 /nfs/dbraw/zinc/73/15/83/1075731583.db2.gz JBUHQAQJLVHVKF-LERXQTSPSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001580677616 1075731480 /nfs/dbraw/zinc/73/14/80/1075731480.db2.gz JBUHQAQJLVHVKF-ZLKJLUDKSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001580677616 1075731479 /nfs/dbraw/zinc/73/14/79/1075731479.db2.gz JBUHQAQJLVHVKF-ZLKJLUDKSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001580677627 1075731634 /nfs/dbraw/zinc/73/16/34/1075731634.db2.gz JTCIJVOYZOWQLD-CHWSQXEVSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001580677627 1075731631 /nfs/dbraw/zinc/73/16/31/1075731631.db2.gz JTCIJVOYZOWQLD-CHWSQXEVSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001580677687 1075731850 /nfs/dbraw/zinc/73/18/50/1075731850.db2.gz MHMXITQCPWPEJE-ZIAGYGMSSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001580677687 1075731848 /nfs/dbraw/zinc/73/18/48/1075731848.db2.gz MHMXITQCPWPEJE-ZIAGYGMSSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001580677737 1075731983 /nfs/dbraw/zinc/73/19/83/1075731983.db2.gz OBQRQMYJOIYMEE-HBJVGIJOSA-N 0 1 387.448 -1.029 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001580677737 1075731980 /nfs/dbraw/zinc/73/19/80/1075731980.db2.gz OBQRQMYJOIYMEE-HBJVGIJOSA-N 0 1 387.448 -1.029 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001580677737 1075731975 /nfs/dbraw/zinc/73/19/75/1075731975.db2.gz OBQRQMYJOIYMEE-HBJVGIJOSA-N 0 1 387.448 -1.029 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001580677737 1075731971 /nfs/dbraw/zinc/73/19/71/1075731971.db2.gz OBQRQMYJOIYMEE-HBJVGIJOSA-N 0 1 387.448 -1.029 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001580677905 1075732288 /nfs/dbraw/zinc/73/22/88/1075732288.db2.gz VXBGNUOSIWPRBZ-CHWSQXEVSA-N 0 1 375.437 -1.029 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC001580677905 1075732283 /nfs/dbraw/zinc/73/22/83/1075732283.db2.gz VXBGNUOSIWPRBZ-CHWSQXEVSA-N 0 1 375.437 -1.029 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001580681356 1075732724 /nfs/dbraw/zinc/73/27/24/1075732724.db2.gz DNXWZVIEDOYKIN-BNOWGMLFSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001580681356 1075732720 /nfs/dbraw/zinc/73/27/20/1075732720.db2.gz DNXWZVIEDOYKIN-BNOWGMLFSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001580681356 1075732713 /nfs/dbraw/zinc/73/27/13/1075732713.db2.gz DNXWZVIEDOYKIN-BNOWGMLFSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001580681356 1075732707 /nfs/dbraw/zinc/73/27/07/1075732707.db2.gz DNXWZVIEDOYKIN-BNOWGMLFSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001580681357 1075732661 /nfs/dbraw/zinc/73/26/61/1075732661.db2.gz DNXWZVIEDOYKIN-YUTCNCBUSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001580681357 1075732654 /nfs/dbraw/zinc/73/26/54/1075732654.db2.gz DNXWZVIEDOYKIN-YUTCNCBUSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001580681357 1075732650 /nfs/dbraw/zinc/73/26/50/1075732650.db2.gz DNXWZVIEDOYKIN-YUTCNCBUSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001580681357 1075732644 /nfs/dbraw/zinc/73/26/44/1075732644.db2.gz DNXWZVIEDOYKIN-YUTCNCBUSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001580681361 1075732691 /nfs/dbraw/zinc/73/26/91/1075732691.db2.gz DPNNSFYEVYCWEY-OLZOCXBDSA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001580681361 1075732686 /nfs/dbraw/zinc/73/26/86/1075732686.db2.gz DPNNSFYEVYCWEY-OLZOCXBDSA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)CCc3cnc[nH]3)[C@@H](O)C2)n1 ZINC001580681430 1075733144 /nfs/dbraw/zinc/73/31/44/1075733144.db2.gz ILQKIOYFDANKNQ-OLZOCXBDSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)n1 ZINC001580681451 1075733028 /nfs/dbraw/zinc/73/30/28/1075733028.db2.gz JBUHQAQJLVHVKF-GDLCADMTSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)n1 ZINC001580681451 1075733024 /nfs/dbraw/zinc/73/30/24/1075733024.db2.gz JBUHQAQJLVHVKF-GDLCADMTSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001580681452 1075733072 /nfs/dbraw/zinc/73/30/72/1075733072.db2.gz JBUHQAQJLVHVKF-HONMWMINSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001580681452 1075733069 /nfs/dbraw/zinc/73/30/69/1075733069.db2.gz JBUHQAQJLVHVKF-HONMWMINSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)n1 ZINC001580681464 1075733008 /nfs/dbraw/zinc/73/30/08/1075733008.db2.gz JTCIJVOYZOWQLD-OLZOCXBDSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)n1 ZINC001580681464 1075733003 /nfs/dbraw/zinc/73/30/03/1075733003.db2.gz JTCIJVOYZOWQLD-OLZOCXBDSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001580681522 1075733617 /nfs/dbraw/zinc/73/36/17/1075733617.db2.gz MHMXITQCPWPEJE-KGLIPLIRSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001580681522 1075733614 /nfs/dbraw/zinc/73/36/14/1075733614.db2.gz MHMXITQCPWPEJE-KGLIPLIRSA-N 0 1 387.448 -1.027 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001580681568 1075733415 /nfs/dbraw/zinc/73/34/15/1075733415.db2.gz OBQRQMYJOIYMEE-OXHZDVMGSA-N 0 1 387.448 -1.029 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001580681568 1075733410 /nfs/dbraw/zinc/73/34/10/1075733410.db2.gz OBQRQMYJOIYMEE-OXHZDVMGSA-N 0 1 387.448 -1.029 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001580681568 1075733405 /nfs/dbraw/zinc/73/34/05/1075733405.db2.gz OBQRQMYJOIYMEE-OXHZDVMGSA-N 0 1 387.448 -1.029 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001580681568 1075733401 /nfs/dbraw/zinc/73/34/01/1075733401.db2.gz OBQRQMYJOIYMEE-OXHZDVMGSA-N 0 1 387.448 -1.029 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)n1 ZINC001580681802 1075733758 /nfs/dbraw/zinc/73/37/58/1075733758.db2.gz VXBGNUOSIWPRBZ-OLZOCXBDSA-N 0 1 375.437 -1.029 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)n1 ZINC001580681802 1075733753 /nfs/dbraw/zinc/73/37/53/1075733753.db2.gz VXBGNUOSIWPRBZ-OLZOCXBDSA-N 0 1 375.437 -1.029 20 0 GAADMN Cc1cc(=O)c(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)c[nH]1 ZINC001580764278 1075739261 /nfs/dbraw/zinc/73/92/61/1075739261.db2.gz NOTZNOFOVPGKOA-UHFFFAOYSA-N 0 1 385.388 -1.378 20 0 GAADMN Cc1cc(=O)c(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c[nH]1 ZINC001580764515 1075739561 /nfs/dbraw/zinc/73/95/61/1075739561.db2.gz XQVLJCASUDZGSL-JTQLQIEISA-N 0 1 385.388 -1.380 20 0 GAADMN Cc1cc(=O)c(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c[nH]1 ZINC001580764516 1075739583 /nfs/dbraw/zinc/73/95/83/1075739583.db2.gz XQVLJCASUDZGSL-SNVBAGLBSA-N 0 1 385.388 -1.380 20 0 GAADMN Cc1cc(=O)c(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)cn1C ZINC001580765675 1075739602 /nfs/dbraw/zinc/73/96/02/1075739602.db2.gz BRPMDWQCSZYFPC-LLVKDONJSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(=O)c(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)cn1C ZINC001580765676 1075739591 /nfs/dbraw/zinc/73/95/91/1075739591.db2.gz BRPMDWQCSZYFPC-NSHDSACASA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c[nH]1 ZINC001580765966 1075739605 /nfs/dbraw/zinc/73/96/05/1075739605.db2.gz JLGBQZYADBRYJE-ZYHUDNBSSA-N 0 1 383.372 -1.367 20 0 GAADMN Cc1cc(=O)c(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1C ZINC001580765970 1075739594 /nfs/dbraw/zinc/73/95/94/1075739594.db2.gz JNEMMZONZRVYJC-JTQLQIEISA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(=O)c(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1C ZINC001580765971 1075739586 /nfs/dbraw/zinc/73/95/86/1075739586.db2.gz JNEMMZONZRVYJC-SNVBAGLBSA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cn1C ZINC001580766012 1075740019 /nfs/dbraw/zinc/74/00/19/1075740019.db2.gz LLZVRSOKDSBAQJ-DGCLKSJQSA-N 0 1 397.399 -1.357 20 0 GAADMN Cc1cc(=O)c(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)cn1C ZINC001580766027 1075740039 /nfs/dbraw/zinc/74/00/39/1075740039.db2.gz LVTHPLDPDHSICN-LLVKDONJSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(=O)c(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)cn1C ZINC001580766028 1075739930 /nfs/dbraw/zinc/73/99/30/1075739930.db2.gz LVTHPLDPDHSICN-NSHDSACASA-N 0 1 384.400 -1.106 20 0 GAADMN O=C1CN(c2nnc([C@H]3COCCN3)n2CCN2CCSCC2)CCN1 ZINC001580849650 1075740735 /nfs/dbraw/zinc/74/07/35/1075740735.db2.gz FBMHEVBLTGMJHA-CYBMUJFWSA-N 0 1 381.506 -1.076 20 0 GAADMN O=C1CN(c2nnc([C@@H]3COCCN3)n2CCN2CCSCC2)CCN1 ZINC001580849651 1075740695 /nfs/dbraw/zinc/74/06/95/1075740695.db2.gz FBMHEVBLTGMJHA-ZDUSSCGKSA-N 0 1 381.506 -1.076 20 0 GAADMN Cc1cc(C)n(CC(=O)N(C)CCNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1 ZINC001580908978 1075741015 /nfs/dbraw/zinc/74/10/15/1075741015.db2.gz DQIOXJWGFKFMNA-UHFFFAOYSA-N 0 1 384.404 -1.177 20 0 GAADMN Cc1cc(C)n(CC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580909263 1075741093 /nfs/dbraw/zinc/74/10/93/1075741093.db2.gz LDVLPQAOUSQFRG-UHFFFAOYSA-N 0 1 386.420 -1.175 20 0 GAADMN Cc1cc(C)n(CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580909602 1075741126 /nfs/dbraw/zinc/74/11/26/1075741126.db2.gz PNCMVFKGDYMBJK-GFCCVEGCSA-N 0 1 386.420 -1.177 20 0 GAADMN Cc1cc(C)n(CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580909603 1075741059 /nfs/dbraw/zinc/74/10/59/1075741059.db2.gz PNCMVFKGDYMBJK-LBPRGKRZSA-N 0 1 386.420 -1.177 20 0 GAADMN Cc1cc(C)n(CCC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580910291 1075741034 /nfs/dbraw/zinc/74/10/34/1075741034.db2.gz GKCOLKWWLAMKEV-GFCCVEGCSA-N 0 1 386.420 -1.129 20 0 GAADMN Cc1cc(C)n(CCC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580910293 1075741113 /nfs/dbraw/zinc/74/11/13/1075741113.db2.gz GKCOLKWWLAMKEV-LBPRGKRZSA-N 0 1 386.420 -1.129 20 0 GAADMN Cc1cc(C)n(CCC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580910316 1075741140 /nfs/dbraw/zinc/74/11/40/1075741140.db2.gz GUPKDJNWQYGROV-GFCCVEGCSA-N 0 1 386.420 -1.129 20 0 GAADMN Cc1cc(C)n(CCC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001580910317 1075741082 /nfs/dbraw/zinc/74/10/82/1075741082.db2.gz GUPKDJNWQYGROV-LBPRGKRZSA-N 0 1 386.420 -1.129 20 0 GAADMN Cc1cc(C)n(CC(=O)NCCCNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1 ZINC001580910665 1075741437 /nfs/dbraw/zinc/74/14/37/1075741437.db2.gz FOQVWMBMSAIGCY-UHFFFAOYSA-N 0 1 384.404 -1.129 20 0 GAADMN Cc1cc(C)n(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001580910961 1075741451 /nfs/dbraw/zinc/74/14/51/1075741451.db2.gz KUQUDUJSFVQYDD-NEPJUHHUSA-N 0 1 384.404 -1.164 20 0 GAADMN Cc1cc(C)n(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001580910962 1075741399 /nfs/dbraw/zinc/74/13/99/1075741399.db2.gz KUQUDUJSFVQYDD-VXGBXAGGSA-N 0 1 384.404 -1.164 20 0 GAADMN Cc1cc(C)n(CC(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1 ZINC001580911437 1075741528 /nfs/dbraw/zinc/74/15/28/1075741528.db2.gz USRRTAKLILKTOA-JTQLQIEISA-N 0 1 384.404 -1.131 20 0 GAADMN Cc1cc(C)n(CC(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1 ZINC001580911438 1075741385 /nfs/dbraw/zinc/74/13/85/1075741385.db2.gz USRRTAKLILKTOA-SNVBAGLBSA-N 0 1 384.404 -1.131 20 0 GAADMN Cc1cc(C)n(CC(=O)N[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1 ZINC001580911537 1075741752 /nfs/dbraw/zinc/74/17/52/1075741752.db2.gz YFLKCNQASORLEJ-JTQLQIEISA-N 0 1 384.404 -1.131 20 0 GAADMN Cc1cc(C)n(CC(=O)N[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1 ZINC001580911538 1075741923 /nfs/dbraw/zinc/74/19/23/1075741923.db2.gz YFLKCNQASORLEJ-SNVBAGLBSA-N 0 1 384.404 -1.131 20 0 GAADMN Cc1cc(C2(C(=O)NC[C@@H](CO)Nc3ccnc(-c4nn[nH]n4)n3)CC2)on1 ZINC001580916139 1075741876 /nfs/dbraw/zinc/74/18/76/1075741876.db2.gz CNHBHMUVOWMKJS-JTQLQIEISA-N 0 1 385.388 -1.004 20 0 GAADMN Cc1cc(C2(C(=O)NC[C@H](CO)Nc3ccnc(-c4nn[nH]n4)n3)CC2)on1 ZINC001580916140 1075741823 /nfs/dbraw/zinc/74/18/23/1075741823.db2.gz CNHBHMUVOWMKJS-SNVBAGLBSA-N 0 1 385.388 -1.004 20 0 GAADMN Cc1cc(N(C)[C@H](C)CNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580942430 1075742160 /nfs/dbraw/zinc/74/21/60/1075742160.db2.gz YKXJGHJFUROLIE-GFCCVEGCSA-N 0 1 387.448 -1.057 20 0 GAADMN Cc1cc(N(C)[C@@H](C)CNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580942440 1075742141 /nfs/dbraw/zinc/74/21/41/1075742141.db2.gz YKXJGHJFUROLIE-LBPRGKRZSA-N 0 1 387.448 -1.057 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)Cn2ncnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943540 1075742080 /nfs/dbraw/zinc/74/20/80/1075742080.db2.gz AHKFLQZXQITBDL-LLVKDONJSA-N 0 1 387.408 -1.488 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)Cn2ncnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943542 1075742116 /nfs/dbraw/zinc/74/21/16/1075742116.db2.gz AHKFLQZXQITBDL-NSHDSACASA-N 0 1 387.408 -1.488 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943922 1075742061 /nfs/dbraw/zinc/74/20/61/1075742061.db2.gz GFGKPZQHGFTNCS-QWRGUYRKSA-N 0 1 391.436 -1.118 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943923 1075742099 /nfs/dbraw/zinc/74/20/99/1075742099.db2.gz GFGKPZQHGFTNCS-WDEREUQCSA-N 0 1 391.436 -1.118 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943992 1075742053 /nfs/dbraw/zinc/74/20/53/1075742053.db2.gz IBYDNXHJGVNTEX-CMPLNLGQSA-N 0 1 390.404 -1.066 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943993 1075742166 /nfs/dbraw/zinc/74/21/66/1075742166.db2.gz IBYDNXHJGVNTEX-JQWIXIFHSA-N 0 1 390.404 -1.066 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943994 1075742074 /nfs/dbraw/zinc/74/20/74/1075742074.db2.gz IBYDNXHJGVNTEX-PWSUYJOCSA-N 0 1 390.404 -1.066 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580943995 1075742106 /nfs/dbraw/zinc/74/21/06/1075742106.db2.gz IBYDNXHJGVNTEX-ZYHUDNBSSA-N 0 1 390.404 -1.066 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)Cn2cnnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944134 1075742124 /nfs/dbraw/zinc/74/21/24/1075742124.db2.gz IUFFOZTYAMEWHN-LLVKDONJSA-N 0 1 387.408 -1.488 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)Cn2cnnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944135 1075742133 /nfs/dbraw/zinc/74/21/33/1075742133.db2.gz IUFFOZTYAMEWHN-NSHDSACASA-N 0 1 387.408 -1.488 20 0 GAADMN Cc1cc(N(C)C[C@@H](C)NC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944265 1075742154 /nfs/dbraw/zinc/74/21/54/1075742154.db2.gz RCBVXASTIJGTGW-GFCCVEGCSA-N 0 1 387.448 -1.057 20 0 GAADMN Cc1cc(N(C)C[C@H](C)NC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944266 1075742380 /nfs/dbraw/zinc/74/23/80/1075742380.db2.gz RCBVXASTIJGTGW-LBPRGKRZSA-N 0 1 387.448 -1.057 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)c2nnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944295 1075742147 /nfs/dbraw/zinc/74/21/47/1075742147.db2.gz JXUKKZABUIIGQJ-JTQLQIEISA-N 0 1 387.408 -1.337 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944298 1075742186 /nfs/dbraw/zinc/74/21/86/1075742186.db2.gz JXUKKZABUIIGQJ-SNVBAGLBSA-N 0 1 387.408 -1.337 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944455 1075742439 /nfs/dbraw/zinc/74/24/39/1075742439.db2.gz MSXYIHCSOGLHLA-CMPLNLGQSA-N 0 1 389.420 -1.493 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944457 1075742467 /nfs/dbraw/zinc/74/24/67/1075742467.db2.gz MSXYIHCSOGLHLA-JQWIXIFHSA-N 0 1 389.420 -1.493 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944459 1075742471 /nfs/dbraw/zinc/74/24/71/1075742471.db2.gz MSXYIHCSOGLHLA-PWSUYJOCSA-N 0 1 389.420 -1.493 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944461 1075742434 /nfs/dbraw/zinc/74/24/34/1075742434.db2.gz MSXYIHCSOGLHLA-ZYHUDNBSSA-N 0 1 389.420 -1.493 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944780 1075742413 /nfs/dbraw/zinc/74/24/13/1075742413.db2.gz QTRYHITUFLCIDW-TUAOUCFPSA-N 0 1 388.432 -1.053 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580944781 1075742405 /nfs/dbraw/zinc/74/24/05/1075742405.db2.gz QTRYHITUFLCIDW-UTUOFQBUSA-N 0 1 388.432 -1.053 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580945338 1075742442 /nfs/dbraw/zinc/74/24/42/1075742442.db2.gz VDOXCBSEQYPHBZ-NEPJUHHUSA-N 0 1 388.432 -1.038 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580945339 1075742430 /nfs/dbraw/zinc/74/24/30/1075742430.db2.gz VDOXCBSEQYPHBZ-NWDGAFQWSA-N 0 1 388.432 -1.038 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580945340 1075742480 /nfs/dbraw/zinc/74/24/80/1075742480.db2.gz VDOXCBSEQYPHBZ-RYUDHWBXSA-N 0 1 388.432 -1.038 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580945341 1075742451 /nfs/dbraw/zinc/74/24/51/1075742451.db2.gz VDOXCBSEQYPHBZ-VXGBXAGGSA-N 0 1 388.432 -1.038 20 0 GAADMN Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580945609 1075742447 /nfs/dbraw/zinc/74/24/47/1075742447.db2.gz XZHCMHSTYWOLIU-LLVKDONJSA-N 0 1 391.436 -1.116 20 0 GAADMN Cc1cc(N(C)C[C@H](O)CN(C)C(=O)CCNC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580945610 1075742458 /nfs/dbraw/zinc/74/24/58/1075742458.db2.gz XZHCMHSTYWOLIU-NSHDSACASA-N 0 1 391.436 -1.116 20 0 GAADMN Cc1cc(N(C)CCNC(=O)[C@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580948192 1075742463 /nfs/dbraw/zinc/74/24/63/1075742463.db2.gz OSBCSWCQVPBLHD-LLVKDONJSA-N 0 1 380.434 -1.186 20 0 GAADMN Cc1cc(N(C)CCNC(=O)[C@@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580948193 1075742396 /nfs/dbraw/zinc/74/23/96/1075742396.db2.gz OSBCSWCQVPBLHD-NSHDSACASA-N 0 1 380.434 -1.186 20 0 GAADMN Cc1cc(N(C)CCNC(=O)CN2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949351 1075742426 /nfs/dbraw/zinc/74/24/26/1075742426.db2.gz VWQSCLIOVVIGLL-UHFFFAOYSA-N 0 1 387.448 -1.103 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958578 1075742638 /nfs/dbraw/zinc/74/26/38/1075742638.db2.gz FEBXPQZYNAALIK-AAEUAGOBSA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958579 1075742648 /nfs/dbraw/zinc/74/26/48/1075742648.db2.gz FEBXPQZYNAALIK-DGCLKSJQSA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958580 1075742729 /nfs/dbraw/zinc/74/27/29/1075742729.db2.gz FEBXPQZYNAALIK-WCQYABFASA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958581 1075742770 /nfs/dbraw/zinc/74/27/70/1075742770.db2.gz FEBXPQZYNAALIK-YPMHNXCESA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)Cn3cncn3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958593 1075742745 /nfs/dbraw/zinc/74/27/45/1075742745.db2.gz FJHVDKZCPJMQJM-GXTWGEPZSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)Cn3cncn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958594 1075742679 /nfs/dbraw/zinc/74/26/79/1075742679.db2.gz FJHVDKZCPJMQJM-JSGCOSHPSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958595 1075742708 /nfs/dbraw/zinc/74/27/08/1075742708.db2.gz FJHVDKZCPJMQJM-OCCSQVGLSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)Cn3cncn3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958596 1075742672 /nfs/dbraw/zinc/74/26/72/1075742672.db2.gz FJHVDKZCPJMQJM-TZMCWYRMSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580959048 1075742797 /nfs/dbraw/zinc/74/27/97/1075742797.db2.gz RNCMXQAXGOEFEI-KOLCDFICSA-N 0 1 385.388 -1.137 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580959050 1075742809 /nfs/dbraw/zinc/74/28/09/1075742809.db2.gz RNCMXQAXGOEFEI-ONGXEEELSA-N 0 1 385.388 -1.137 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580959196 1075742662 /nfs/dbraw/zinc/74/26/62/1075742662.db2.gz SZKDDYRSCXNQCY-LLVKDONJSA-N 0 1 384.404 -1.140 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580959198 1075742754 /nfs/dbraw/zinc/74/27/54/1075742754.db2.gz SZKDDYRSCXNQCY-NSHDSACASA-N 0 1 384.404 -1.140 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960086 1075742763 /nfs/dbraw/zinc/74/27/63/1075742763.db2.gz CHKCVIKKZRCLTG-BDJLRTHQSA-N 0 1 387.404 -1.691 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960087 1075742918 /nfs/dbraw/zinc/74/29/18/1075742918.db2.gz CHKCVIKKZRCLTG-BZNIZROVSA-N 0 1 387.404 -1.691 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960088 1075742997 /nfs/dbraw/zinc/74/29/97/1075742997.db2.gz CHKCVIKKZRCLTG-MEDUHNTESA-N 0 1 387.404 -1.691 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960089 1075742958 /nfs/dbraw/zinc/74/29/58/1075742958.db2.gz CHKCVIKKZRCLTG-ZBEGNZNMSA-N 0 1 387.404 -1.691 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)Cn3cnnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960343 1075743039 /nfs/dbraw/zinc/74/30/39/1075743039.db2.gz DQXOIHNMYLFUFC-HNNXBMFYSA-N 0 1 385.392 -1.686 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)Cn3cnnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960344 1075743030 /nfs/dbraw/zinc/74/30/30/1075743030.db2.gz DQXOIHNMYLFUFC-OAHLLOKOSA-N 0 1 385.392 -1.686 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960358 1075742943 /nfs/dbraw/zinc/74/29/43/1075742943.db2.gz FBQBULSPNJZMDG-RLFDGXBXSA-N 0 1 386.416 -1.251 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960360 1075742924 /nfs/dbraw/zinc/74/29/24/1075742924.db2.gz FBQBULSPNJZMDG-VGTOOOLASA-N 0 1 386.416 -1.251 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960661 1075743005 /nfs/dbraw/zinc/74/30/05/1075743005.db2.gz JJJYQJOLEBXKBX-HNNXBMFYSA-N 0 1 385.392 -1.686 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960662 1075742984 /nfs/dbraw/zinc/74/29/84/1075742984.db2.gz JJJYQJOLEBXKBX-OAHLLOKOSA-N 0 1 385.392 -1.686 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960816 1075742938 /nfs/dbraw/zinc/74/29/38/1075742938.db2.gz FVYSNDFBAGGYRB-LBPRGKRZSA-N 0 1 385.432 -1.303 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@H]3CCC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960915 1075742931 /nfs/dbraw/zinc/74/29/31/1075742931.db2.gz KPQMMBQUSRVWOH-PXAZEXFGSA-N 0 1 386.416 -1.094 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960916 1075742990 /nfs/dbraw/zinc/74/29/90/1075742990.db2.gz KPQMMBQUSRVWOH-SJCJKPOMSA-N 0 1 386.416 -1.094 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@H]3CCC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960917 1075743026 /nfs/dbraw/zinc/74/30/26/1075743026.db2.gz KPQMMBQUSRVWOH-SJKOYZFVSA-N 0 1 386.416 -1.094 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580960918 1075743035 /nfs/dbraw/zinc/74/30/35/1075743035.db2.gz KPQMMBQUSRVWOH-YVEFUNNKSA-N 0 1 386.416 -1.094 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)Cn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961033 1075743021 /nfs/dbraw/zinc/74/30/21/1075743021.db2.gz MQPWIUZBTZFNAU-INIZCTEOSA-N 0 1 384.404 -1.081 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)Cn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961036 1075742974 /nfs/dbraw/zinc/74/29/74/1075742974.db2.gz MQPWIUZBTZFNAU-MRXNPFEDSA-N 0 1 384.404 -1.081 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)c3nnn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961534 1075743012 /nfs/dbraw/zinc/74/30/12/1075743012.db2.gz SFBQRCHCZNKTHD-HNNXBMFYSA-N 0 1 385.392 -1.535 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)c3nnn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961536 1075742967 /nfs/dbraw/zinc/74/29/67/1075742967.db2.gz SFBQRCHCZNKTHD-OAHLLOKOSA-N 0 1 385.392 -1.535 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)c3nnn(C)n3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961727 1075742950 /nfs/dbraw/zinc/74/29/50/1075742950.db2.gz WBZMZAQZZRHADN-CMPLNLGQSA-N 0 1 385.392 -1.537 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961728 1075743018 /nfs/dbraw/zinc/74/30/18/1075743018.db2.gz WBZMZAQZZRHADN-JQWIXIFHSA-N 0 1 385.392 -1.537 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961729 1075743380 /nfs/dbraw/zinc/74/33/80/1075743380.db2.gz WBZMZAQZZRHADN-PWSUYJOCSA-N 0 1 385.392 -1.537 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)c3nnn(C)n3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961730 1075743386 /nfs/dbraw/zinc/74/33/86/1075743386.db2.gz WBZMZAQZZRHADN-ZYHUDNBSSA-N 0 1 385.392 -1.537 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@H]3COC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961954 1075743398 /nfs/dbraw/zinc/74/33/98/1075743398.db2.gz ZIOYNTINEVHPRA-BDJLRTHQSA-N 0 1 388.388 -1.264 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@H]3COC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961955 1075743324 /nfs/dbraw/zinc/74/33/24/1075743324.db2.gz ZIOYNTINEVHPRA-BZNIZROVSA-N 0 1 388.388 -1.264 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@@H]3COC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961956 1075743343 /nfs/dbraw/zinc/74/33/43/1075743343.db2.gz ZIOYNTINEVHPRA-MEDUHNTESA-N 0 1 388.388 -1.264 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@@H]3COC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961957 1075743368 /nfs/dbraw/zinc/74/33/68/1075743368.db2.gz ZIOYNTINEVHPRA-ZBEGNZNMSA-N 0 1 388.388 -1.264 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580962270 1075743351 /nfs/dbraw/zinc/74/33/51/1075743351.db2.gz QNBAEXJXUNIKPC-CMPLNLGQSA-N 0 1 392.445 -1.043 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580962271 1075743357 /nfs/dbraw/zinc/74/33/57/1075743357.db2.gz QNBAEXJXUNIKPC-JQWIXIFHSA-N 0 1 392.445 -1.043 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580962272 1075743403 /nfs/dbraw/zinc/74/34/03/1075743403.db2.gz QNBAEXJXUNIKPC-PWSUYJOCSA-N 0 1 392.445 -1.043 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580962273 1075743407 /nfs/dbraw/zinc/74/34/07/1075743407.db2.gz QNBAEXJXUNIKPC-ZYHUDNBSSA-N 0 1 392.445 -1.043 20 0 GAADMN Cc1cc(N2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580969795 1075743317 /nfs/dbraw/zinc/74/33/17/1075743317.db2.gz HYYCTEBIPWOYHE-GFCCVEGCSA-N 0 1 392.445 -1.090 20 0 GAADMN Cc1cc(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580969796 1075743307 /nfs/dbraw/zinc/74/33/07/1075743307.db2.gz HYYCTEBIPWOYHE-LBPRGKRZSA-N 0 1 392.445 -1.090 20 0 GAADMN Cc1cc(N2CCOC[C@H]2CNC(=O)CCNC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970292 1075743295 /nfs/dbraw/zinc/74/32/95/1075743295.db2.gz AYKKQFNPBDTYIG-LLVKDONJSA-N 0 1 389.420 -1.050 20 0 GAADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)CCNC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970293 1075743260 /nfs/dbraw/zinc/74/32/60/1075743260.db2.gz AYKKQFNPBDTYIG-NSHDSACASA-N 0 1 389.420 -1.050 20 0 GAADMN Cc1cc(N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970763 1075743641 /nfs/dbraw/zinc/74/36/41/1075743641.db2.gz VWSDDUNVWHQYHQ-UHFFFAOYSA-N 0 1 384.404 -1.186 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)Cn3ncnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970819 1075743501 /nfs/dbraw/zinc/74/35/01/1075743501.db2.gz IKVIWVBYLVLWDE-LLVKDONJSA-N 0 1 385.392 -1.422 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)Cn3ncnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970820 1075743650 /nfs/dbraw/zinc/74/36/50/1075743650.db2.gz IKVIWVBYLVLWDE-NSHDSACASA-N 0 1 385.392 -1.422 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)Cn3cnnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970942 1075743666 /nfs/dbraw/zinc/74/36/66/1075743666.db2.gz KRUNZEXMKMNSDT-LLVKDONJSA-N 0 1 385.392 -1.422 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)Cn3cnnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580970943 1075743462 /nfs/dbraw/zinc/74/34/62/1075743462.db2.gz KRUNZEXMKMNSDT-NSHDSACASA-N 0 1 385.392 -1.422 20 0 GAADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971130 1075743475 /nfs/dbraw/zinc/74/34/75/1075743475.db2.gz MDGBKVQCXQCBMT-CMPLNLGQSA-N 0 1 388.388 -1.000 20 0 GAADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971131 1075743550 /nfs/dbraw/zinc/74/35/50/1075743550.db2.gz MDGBKVQCXQCBMT-JQWIXIFHSA-N 0 1 388.388 -1.000 20 0 GAADMN Cc1cc(N2CCOC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971133 1075743573 /nfs/dbraw/zinc/74/35/73/1075743573.db2.gz MDGBKVQCXQCBMT-PWSUYJOCSA-N 0 1 388.388 -1.000 20 0 GAADMN Cc1cc(N2CCOC[C@H]2CNC(=O)[C@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971135 1075743610 /nfs/dbraw/zinc/74/36/10/1075743610.db2.gz MDGBKVQCXQCBMT-ZYHUDNBSSA-N 0 1 388.388 -1.000 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)c3nnn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971322 1075743632 /nfs/dbraw/zinc/74/36/32/1075743632.db2.gz NQNDWRFWHRNHGX-JTQLQIEISA-N 0 1 385.392 -1.271 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)c3nnn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971324 1075743586 /nfs/dbraw/zinc/74/35/86/1075743586.db2.gz NQNDWRFWHRNHGX-SNVBAGLBSA-N 0 1 385.392 -1.271 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971555 1075743561 /nfs/dbraw/zinc/74/35/61/1075743561.db2.gz PPJXXZPXZZOTQK-CMPLNLGQSA-N 0 1 387.404 -1.427 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971556 1075743657 /nfs/dbraw/zinc/74/36/57/1075743657.db2.gz PPJXXZPXZZOTQK-JQWIXIFHSA-N 0 1 387.404 -1.427 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971557 1075743627 /nfs/dbraw/zinc/74/36/27/1075743627.db2.gz PPJXXZPXZZOTQK-PWSUYJOCSA-N 0 1 387.404 -1.427 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971558 1075743528 /nfs/dbraw/zinc/74/35/28/1075743528.db2.gz PPJXXZPXZZOTQK-ZYHUDNBSSA-N 0 1 387.404 -1.427 20 0 GAADMN Cc1cc(N2CCOC[C@H]2CNC(=O)Cn2cnnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971560 1075743487 /nfs/dbraw/zinc/74/34/87/1075743487.db2.gz PPUBBLGQYMMKAS-LLVKDONJSA-N 0 1 385.392 -1.422 20 0 GAADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)Cn2cnnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971561 1075743539 /nfs/dbraw/zinc/74/35/39/1075743539.db2.gz PPUBBLGQYMMKAS-NSHDSACASA-N 0 1 385.392 -1.422 20 0 GAADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)[C@H](C)NC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971578 1075743619 /nfs/dbraw/zinc/74/36/19/1075743619.db2.gz QODGUGKHCIEMJX-QWRGUYRKSA-N 0 1 389.420 -1.052 20 0 GAADMN Cc1cc(N2CCOC[C@H]2CNC(=O)[C@H](C)NC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971579 1075743862 /nfs/dbraw/zinc/74/38/62/1075743862.db2.gz QODGUGKHCIEMJX-WDEREUQCSA-N 0 1 389.420 -1.052 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)CCNC(N)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971749 1075743981 /nfs/dbraw/zinc/74/39/81/1075743981.db2.gz UGWJJGRVQDMENP-LLVKDONJSA-N 0 1 389.420 -1.050 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)CCNC(N)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580971750 1075743914 /nfs/dbraw/zinc/74/39/14/1075743914.db2.gz UGWJJGRVQDMENP-NSHDSACASA-N 0 1 389.420 -1.050 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CN3CCOCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973875 1075743976 /nfs/dbraw/zinc/74/39/76/1075743976.db2.gz AICCJFVLQRHXNK-UKRRQHHQSA-N 0 1 388.432 -1.432 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973892 1075743957 /nfs/dbraw/zinc/74/39/57/1075743957.db2.gz BJYDYZVPRXDJDM-MPKXVKKWSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973893 1075743892 /nfs/dbraw/zinc/74/38/92/1075743892.db2.gz BJYDYZVPRXDJDM-ZKYQVNSYSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCn3cnnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973904 1075743921 /nfs/dbraw/zinc/74/39/21/1075743921.db2.gz BZCFPSCDYYPONF-DGCLKSJQSA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CNC(=O)C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973945 1075743979 /nfs/dbraw/zinc/74/39/79/1075743979.db2.gz DZGAMPBTWYXUQD-TZMCWYRMSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(C)CCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973954 1075743853 /nfs/dbraw/zinc/74/38/53/1075743853.db2.gz FIJKFVLKKUVVLK-CJBNDPTMSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(C)CCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580973955 1075743966 /nfs/dbraw/zinc/74/39/66/1075743966.db2.gz FIJKFVLKKUVVLK-NDGTYSDOSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974013 1075743987 /nfs/dbraw/zinc/74/39/87/1075743987.db2.gz HTOUGTKBMFZTCS-TZMCWYRMSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974015 1075743932 /nfs/dbraw/zinc/74/39/32/1075743932.db2.gz HWIHUWCVTHQMIC-MPKXVKKWSA-N 0 1 386.416 -1.095 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974016 1075743984 /nfs/dbraw/zinc/74/39/84/1075743984.db2.gz HWIHUWCVTHQMIC-ZKYQVNSYSA-N 0 1 386.416 -1.095 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974038 1075743900 /nfs/dbraw/zinc/74/39/00/1075743900.db2.gz ITGHGQYOEZURTF-ZYHUDNBSSA-N 0 1 381.418 -1.720 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974040 1075743940 /nfs/dbraw/zinc/74/39/40/1075743940.db2.gz JBBMYEUMBDIZJT-TZMCWYRMSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974134 1075744246 /nfs/dbraw/zinc/74/42/46/1075744246.db2.gz NOSYOHQBGMIHGB-DGCLKSJQSA-N 0 1 384.404 -1.135 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974145 1075744273 /nfs/dbraw/zinc/74/42/73/1075744273.db2.gz OBRSNQSLGCDXCZ-NQBHXWOUSA-N 0 1 387.404 -1.741 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974146 1075744105 /nfs/dbraw/zinc/74/41/05/1075744105.db2.gz OBRSNQSLGCDXCZ-NTZNESFSSA-N 0 1 387.404 -1.741 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974157 1075744231 /nfs/dbraw/zinc/74/42/31/1075744231.db2.gz OUIAQEIXKBMIOT-IRUJWGPZSA-N 0 1 395.445 -1.331 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974158 1075744253 /nfs/dbraw/zinc/74/42/53/1075744253.db2.gz OUIAQEIXKBMIOT-UFGOTCBOSA-N 0 1 395.445 -1.331 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974162 1075744175 /nfs/dbraw/zinc/74/41/75/1075744175.db2.gz PEELOBFMYLEITQ-DGCLKSJQSA-N 0 1 383.372 -1.367 20 0 GAADMN Cc1c(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2O)nnn1C ZINC001580974187 1075744117 /nfs/dbraw/zinc/74/41/17/1075744117.db2.gz PXWYNKLUXSRUBQ-DGCLKSJQSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974265 1075744094 /nfs/dbraw/zinc/74/40/94/1075744094.db2.gz UZLLWHIYPDMWNZ-MPKXVKKWSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974266 1075744293 /nfs/dbraw/zinc/74/42/93/1075744293.db2.gz UZLLWHIYPDMWNZ-ZKYQVNSYSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974273 1075744202 /nfs/dbraw/zinc/74/42/02/1075744202.db2.gz VGMAVLZDCRYMEV-TZMCWYRMSA-N 0 1 386.416 -1.142 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974280 1075744286 /nfs/dbraw/zinc/74/42/86/1075744286.db2.gz VSKPNACREARTSB-NDGTYSDOSA-N 0 1 386.416 -1.095 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974281 1075744279 /nfs/dbraw/zinc/74/42/79/1075744279.db2.gz VVWVSLZLZPJTMY-MPKXVKKWSA-N 0 1 386.416 -1.286 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974282 1075744145 /nfs/dbraw/zinc/74/41/45/1075744145.db2.gz VVWVSLZLZPJTMY-ZKYQVNSYSA-N 0 1 386.416 -1.286 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974299 1075744223 /nfs/dbraw/zinc/74/42/23/1075744223.db2.gz WQBPPZAUFYRDJN-MBNYWOFBSA-N 0 1 386.416 -1.143 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580974300 1075744132 /nfs/dbraw/zinc/74/41/32/1075744132.db2.gz WQBPPZAUFYRDJN-YRGRVCCFSA-N 0 1 386.416 -1.143 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)CN3CCOCC3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976273 1075744189 /nfs/dbraw/zinc/74/41/89/1075744189.db2.gz AICCJFVLQRHXNK-HIFRSBDPSA-N 0 1 388.432 -1.432 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)CCn3cnnn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976306 1075744239 /nfs/dbraw/zinc/74/42/39/1075744239.db2.gz BZCFPSCDYYPONF-YPMHNXCESA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)c3c[nH]c(=O)n3C)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976324 1075744533 /nfs/dbraw/zinc/74/45/33/1075744533.db2.gz CVVYFZLCELABLZ-MFKMUULPSA-N 0 1 385.388 -1.011 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)CNC(=O)C3CC3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976350 1075744439 /nfs/dbraw/zinc/74/44/39/1075744439.db2.gz DZGAMPBTWYXUQD-OCCSQVGLSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976409 1075744512 /nfs/dbraw/zinc/74/45/12/1075744512.db2.gz HTOUGTKBMFZTCS-OCCSQVGLSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)C[C@H]3CCC(=O)N3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976411 1075744529 /nfs/dbraw/zinc/74/45/29/1075744529.db2.gz HWIHUWCVTHQMIC-QKCSRTOESA-N 0 1 386.416 -1.095 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976412 1075744412 /nfs/dbraw/zinc/74/44/12/1075744412.db2.gz HWIHUWCVTHQMIC-SUHUHFCYSA-N 0 1 386.416 -1.095 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976421 1075744488 /nfs/dbraw/zinc/74/44/88/1075744488.db2.gz IGLINNCONHUXIT-QKCSRTOESA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976422 1075744449 /nfs/dbraw/zinc/74/44/49/1075744449.db2.gz IGLINNCONHUXIT-SUHUHFCYSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976433 1075744504 /nfs/dbraw/zinc/74/45/04/1075744504.db2.gz ITGHGQYOEZURTF-PWSUYJOCSA-N 0 1 381.418 -1.720 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976528 1075744523 /nfs/dbraw/zinc/74/45/23/1075744523.db2.gz NVEFGISXFMRWTQ-QKCSRTOESA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976529 1075744496 /nfs/dbraw/zinc/74/44/96/1075744496.db2.gz NVEFGISXFMRWTQ-SUHUHFCYSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976551 1075744472 /nfs/dbraw/zinc/74/44/72/1075744472.db2.gz OUIAQEIXKBMIOT-NDMJEZRESA-N 0 1 395.445 -1.331 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976552 1075744456 /nfs/dbraw/zinc/74/44/56/1075744456.db2.gz OUIAQEIXKBMIOT-XWIASGKRSA-N 0 1 395.445 -1.331 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976560 1075744465 /nfs/dbraw/zinc/74/44/65/1075744465.db2.gz PEELOBFMYLEITQ-YPMHNXCESA-N 0 1 383.372 -1.367 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCCC(=O)N3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976622 1075744526 /nfs/dbraw/zinc/74/45/26/1075744526.db2.gz SAEFPPKQCXPBLB-BZPMIXESSA-N 0 1 386.416 -1.095 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)CN3CCCC3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976669 1075744435 /nfs/dbraw/zinc/74/44/35/1075744435.db2.gz VGMAVLZDCRYMEV-OCCSQVGLSA-N 0 1 386.416 -1.142 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976684 1075744419 /nfs/dbraw/zinc/74/44/19/1075744419.db2.gz VVWVSLZLZPJTMY-QKCSRTOESA-N 0 1 386.416 -1.286 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976685 1075744519 /nfs/dbraw/zinc/74/45/19/1075744519.db2.gz VVWVSLZLZPJTMY-SUHUHFCYSA-N 0 1 386.416 -1.286 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCC(=O)N3C)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976704 1075744864 /nfs/dbraw/zinc/74/48/64/1075744864.db2.gz WQBPPZAUFYRDJN-BZPMIXESSA-N 0 1 386.416 -1.143 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580976705 1075744851 /nfs/dbraw/zinc/74/48/51/1075744851.db2.gz WQBPPZAUFYRDJN-DYEKYZERSA-N 0 1 386.416 -1.143 20 0 GAADMN Cc1c(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2O)nnn1C ZINC001580977795 1075744793 /nfs/dbraw/zinc/74/47/93/1075744793.db2.gz PXWYNKLUXSRUBQ-YPMHNXCESA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1cc(N[C@H](C)[C@H](C)NC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580988966 1075744835 /nfs/dbraw/zinc/74/48/35/1075744835.db2.gz LQQDKHNLTRDNPB-NEPJUHHUSA-N 0 1 387.448 -1.271 20 0 GAADMN Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580988967 1075744812 /nfs/dbraw/zinc/74/48/12/1075744812.db2.gz LQQDKHNLTRDNPB-NWDGAFQWSA-N 0 1 387.448 -1.271 20 0 GAADMN Cc1cc(N[C@@H](C)[C@H](C)NC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580988968 1075744803 /nfs/dbraw/zinc/74/48/03/1075744803.db2.gz LQQDKHNLTRDNPB-RYUDHWBXSA-N 0 1 387.448 -1.271 20 0 GAADMN Cc1cc(N[C@H](C)[C@@H](C)NC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580988970 1075744691 /nfs/dbraw/zinc/74/46/91/1075744691.db2.gz LQQDKHNLTRDNPB-VXGBXAGGSA-N 0 1 387.448 -1.271 20 0 GAADMN Cc1cc(N[C@H](C)CCNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990280 1075744869 /nfs/dbraw/zinc/74/48/69/1075744869.db2.gz CVDRJVQRZZJXKW-LLVKDONJSA-N 0 1 387.448 -1.269 20 0 GAADMN Cc1cc(N[C@@H](C)CCNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990286 1075744826 /nfs/dbraw/zinc/74/48/26/1075744826.db2.gz CVDRJVQRZZJXKW-NSHDSACASA-N 0 1 387.448 -1.269 20 0 GAADMN Cc1cc(N[C@H](C)[C@@H](C)NC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990447 1075744740 /nfs/dbraw/zinc/74/47/40/1075744740.db2.gz RFEOJPXHMSPFPX-GHMZBOCLSA-N 0 1 386.420 -1.107 20 0 GAADMN Cc1cc(N[C@H](C)[C@H](C)NC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990448 1075744659 /nfs/dbraw/zinc/74/46/59/1075744659.db2.gz RFEOJPXHMSPFPX-MNOVXSKESA-N 0 1 386.420 -1.107 20 0 GAADMN Cc1cc(N[C@@H](C)[C@H](C)NC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990449 1075744768 /nfs/dbraw/zinc/74/47/68/1075744768.db2.gz RFEOJPXHMSPFPX-QWRGUYRKSA-N 0 1 386.420 -1.107 20 0 GAADMN Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580990450 1075744782 /nfs/dbraw/zinc/74/47/82/1075744782.db2.gz RFEOJPXHMSPFPX-WDEREUQCSA-N 0 1 386.420 -1.107 20 0 GAADMN Cc1cc(N[C@H](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991776 1075744845 /nfs/dbraw/zinc/74/48/45/1075744845.db2.gz VWHYQKHMFJVTCV-PELKAZGASA-N 0 1 387.404 -1.103 20 0 GAADMN Cc1cc(N[C@@H](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991777 1075744756 /nfs/dbraw/zinc/74/47/56/1075744756.db2.gz VWHYQKHMFJVTCV-UFBFGSQYSA-N 0 1 387.404 -1.103 20 0 GAADMN Cc1cc(N[C@@H](C)CCNC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991924 1075744676 /nfs/dbraw/zinc/74/46/76/1075744676.db2.gz YQXAJSXWSZQUJH-JTQLQIEISA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1cc(N[C@H](C)CCNC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991925 1075744857 /nfs/dbraw/zinc/74/48/57/1075744857.db2.gz YQXAJSXWSZQUJH-SNVBAGLBSA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580993549 1075745118 /nfs/dbraw/zinc/74/51/18/1075745118.db2.gz GDKONUIVPJGPRG-NXEZZACHSA-N 0 1 382.450 -1.154 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580993550 1075745045 /nfs/dbraw/zinc/74/50/45/1075745045.db2.gz GDKONUIVPJGPRG-UWVGGRQHSA-N 0 1 382.450 -1.154 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580993551 1075745099 /nfs/dbraw/zinc/74/50/99/1075745099.db2.gz GDKONUIVPJGPRG-VHSXEESVSA-N 0 1 382.450 -1.154 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580993552 1075745063 /nfs/dbraw/zinc/74/50/63/1075745063.db2.gz GDKONUIVPJGPRG-ZJUUUORDSA-N 0 1 382.450 -1.154 20 0 GAADMN Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580993873 1075745091 /nfs/dbraw/zinc/74/50/91/1075745091.db2.gz JCBKLDWYHZTRHZ-CABZTGNLSA-N 0 1 387.404 -1.151 20 0 GAADMN Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580993874 1075745036 /nfs/dbraw/zinc/74/50/36/1075745036.db2.gz JCBKLDWYHZTRHZ-SKDRFNHKSA-N 0 1 387.404 -1.151 20 0 GAADMN Cc1cc(N[C@H](C)CN(C)C(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995143 1075745054 /nfs/dbraw/zinc/74/50/54/1075745054.db2.gz YNXGUGUOURUZIG-LLVKDONJSA-N 0 1 386.420 -1.154 20 0 GAADMN Cc1cc(N[C@@H](C)CN(C)C(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995144 1075745128 /nfs/dbraw/zinc/74/51/28/1075745128.db2.gz YNXGUGUOURUZIG-NSHDSACASA-N 0 1 386.420 -1.154 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)[C@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995514 1075745156 /nfs/dbraw/zinc/74/51/56/1075745156.db2.gz IYCUHBLFVJEJPB-GXSJLCMTSA-N 0 1 380.434 -1.400 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)[C@@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995515 1075745080 /nfs/dbraw/zinc/74/50/80/1075745080.db2.gz IYCUHBLFVJEJPB-KOLCDFICSA-N 0 1 380.434 -1.400 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)[C@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995516 1075745170 /nfs/dbraw/zinc/74/51/70/1075745170.db2.gz IYCUHBLFVJEJPB-MWLCHTKSSA-N 0 1 380.434 -1.400 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)[C@@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995517 1075745020 /nfs/dbraw/zinc/74/50/20/1075745020.db2.gz IYCUHBLFVJEJPB-ONGXEEELSA-N 0 1 380.434 -1.400 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)CCCS(N)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995655 1075745014 /nfs/dbraw/zinc/74/50/14/1075745014.db2.gz LGWUBCBPPKYCBT-JTQLQIEISA-N 0 1 382.450 -1.023 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)CCCS(N)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995656 1075745028 /nfs/dbraw/zinc/74/50/28/1075745028.db2.gz LGWUBCBPPKYCBT-SNVBAGLBSA-N 0 1 382.450 -1.023 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)CCn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995753 1075745166 /nfs/dbraw/zinc/74/51/66/1075745166.db2.gz NJYKQZKZXPZRTJ-LLVKDONJSA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)CCn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995754 1075745148 /nfs/dbraw/zinc/74/51/48/1075745148.db2.gz NJYKQZKZXPZRTJ-NSHDSACASA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995789 1075745111 /nfs/dbraw/zinc/74/51/11/1075745111.db2.gz OAFFPWUZFFFDJM-JTQLQIEISA-N 0 1 382.450 -1.200 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)CN(C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995790 1075745141 /nfs/dbraw/zinc/74/51/41/1075745141.db2.gz OAFFPWUZFFFDJM-SNVBAGLBSA-N 0 1 382.450 -1.200 20 0 GAADMN Cc1nn(CC(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)c(=O)n1C ZINC001580995845 1075745135 /nfs/dbraw/zinc/74/51/35/1075745135.db2.gz POPJEMOJTXFSTG-JTQLQIEISA-N 0 1 386.420 -1.188 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)c(=O)n1C ZINC001580995846 1075745420 /nfs/dbraw/zinc/74/54/20/1075745420.db2.gz POPJEMOJTXFSTG-SNVBAGLBSA-N 0 1 386.420 -1.188 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)CCNS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580996037 1075745325 /nfs/dbraw/zinc/74/53/25/1075745325.db2.gz UOSSFVMCXOQUGZ-JTQLQIEISA-N 0 1 382.450 -1.152 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)CCNS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580996038 1075745485 /nfs/dbraw/zinc/74/54/85/1075745485.db2.gz UOSSFVMCXOQUGZ-SNVBAGLBSA-N 0 1 382.450 -1.152 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580996164 1075745416 /nfs/dbraw/zinc/74/54/16/1075745416.db2.gz WKWKWRPZPJSKRC-JTQLQIEISA-N 0 1 382.450 -1.200 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)CS(=O)(=O)N(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580996165 1075745393 /nfs/dbraw/zinc/74/53/93/1075745393.db2.gz WKWKWRPZPJSKRC-SNVBAGLBSA-N 0 1 382.450 -1.200 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)Cn2ccc(=O)[nH]c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580996176 1075745317 /nfs/dbraw/zinc/74/53/17/1075745317.db2.gz WSFDFMJZWHAHQW-JTQLQIEISA-N 0 1 385.388 -1.129 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)Cn2ccc(=O)[nH]c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580996177 1075745500 /nfs/dbraw/zinc/74/55/00/1075745500.db2.gz WSFDFMJZWHAHQW-SNVBAGLBSA-N 0 1 385.388 -1.129 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CCc2cn(C)nn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997018 1075745495 /nfs/dbraw/zinc/74/54/95/1075745495.db2.gz ALMHRSVQQVMTAQ-GFCCVEGCSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CCc2cn(C)nn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997019 1075745346 /nfs/dbraw/zinc/74/53/46/1075745346.db2.gz ALMHRSVQQVMTAQ-LBPRGKRZSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C[C@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997142 1075745405 /nfs/dbraw/zinc/74/54/05/1075745405.db2.gz CWWIKXGQKPLZBN-NEPJUHHUSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C[C@@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997143 1075745381 /nfs/dbraw/zinc/74/53/81/1075745381.db2.gz CWWIKXGQKPLZBN-NWDGAFQWSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C[C@@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997144 1075745508 /nfs/dbraw/zinc/74/55/08/1075745508.db2.gz CWWIKXGQKPLZBN-RYUDHWBXSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C[C@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997145 1075745471 /nfs/dbraw/zinc/74/54/71/1075745471.db2.gz CWWIKXGQKPLZBN-VXGBXAGGSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997200 1075745356 /nfs/dbraw/zinc/74/53/56/1075745356.db2.gz FNIVMDGXXRFECH-LLVKDONJSA-N 0 1 389.420 -2.687 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997201 1075745338 /nfs/dbraw/zinc/74/53/38/1075745338.db2.gz FNIVMDGXXRFECH-NSHDSACASA-N 0 1 389.420 -2.687 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CCN2CCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997212 1075745367 /nfs/dbraw/zinc/74/53/67/1075745367.db2.gz GABRKXPCVCCNKQ-GFCCVEGCSA-N 0 1 388.432 -1.106 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CCN2CCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997213 1075745789 /nfs/dbraw/zinc/74/57/89/1075745789.db2.gz GABRKXPCVCCNKQ-LBPRGKRZSA-N 0 1 388.432 -1.106 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997350 1075745797 /nfs/dbraw/zinc/74/57/97/1075745797.db2.gz INTBHCYSTVUWNS-NXEZZACHSA-N 0 1 383.434 -1.686 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997351 1075745728 /nfs/dbraw/zinc/74/57/28/1075745728.db2.gz INTBHCYSTVUWNS-UWVGGRQHSA-N 0 1 383.434 -1.686 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997352 1075745744 /nfs/dbraw/zinc/74/57/44/1075745744.db2.gz INTBHCYSTVUWNS-VHSXEESVSA-N 0 1 383.434 -1.686 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997353 1075745821 /nfs/dbraw/zinc/74/58/21/1075745821.db2.gz INTBHCYSTVUWNS-ZJUUUORDSA-N 0 1 383.434 -1.686 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CN2CCCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997364 1075745802 /nfs/dbraw/zinc/74/58/02/1075745802.db2.gz ISXIEIDACYXKJD-GFCCVEGCSA-N 0 1 388.432 -1.106 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CN2CCCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997365 1075745768 /nfs/dbraw/zinc/74/57/68/1075745768.db2.gz ISXIEIDACYXKJD-LBPRGKRZSA-N 0 1 388.432 -1.106 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CCCn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997366 1075745694 /nfs/dbraw/zinc/74/56/94/1075745694.db2.gz ITSRICHAMRLUSQ-GFCCVEGCSA-N 0 1 386.420 -1.047 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CCCn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997367 1075745724 /nfs/dbraw/zinc/74/57/24/1075745724.db2.gz ITSRICHAMRLUSQ-LBPRGKRZSA-N 0 1 386.420 -1.047 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2CCCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997584 1075745708 /nfs/dbraw/zinc/74/57/08/1075745708.db2.gz MRKOLSCBAFZSPQ-BXUZGUMPSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@@H]2CCCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997585 1075745715 /nfs/dbraw/zinc/74/57/15/1075745715.db2.gz MRKOLSCBAFZSPQ-FZMZJTMJSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2CCCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997586 1075745738 /nfs/dbraw/zinc/74/57/38/1075745738.db2.gz MRKOLSCBAFZSPQ-RISCZKNCSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@H]2CCCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997587 1075745732 /nfs/dbraw/zinc/74/57/32/1075745732.db2.gz MRKOLSCBAFZSPQ-SMDDNHRTSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CN2CCOCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997594 1075745701 /nfs/dbraw/zinc/74/57/01/1075745701.db2.gz MWGVNELYPKZDSH-LLVKDONJSA-N 0 1 390.404 -2.260 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CN2CCOCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997595 1075745781 /nfs/dbraw/zinc/74/57/81/1075745781.db2.gz MWGVNELYPKZDSH-NSHDSACASA-N 0 1 390.404 -2.260 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C[C@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997614 1075745721 /nfs/dbraw/zinc/74/57/21/1075745721.db2.gz NLOQSFVCUKFULL-NEPJUHHUSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C[C@@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997615 1075745810 /nfs/dbraw/zinc/74/58/10/1075745810.db2.gz NLOQSFVCUKFULL-NWDGAFQWSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C[C@@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997616 1075745761 /nfs/dbraw/zinc/74/57/61/1075745761.db2.gz NLOQSFVCUKFULL-RYUDHWBXSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C[C@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997617 1075745734 /nfs/dbraw/zinc/74/57/34/1075745734.db2.gz NLOQSFVCUKFULL-VXGBXAGGSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CCc2cnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997682 1075745753 /nfs/dbraw/zinc/74/57/53/1075745753.db2.gz OVPRECSLIPHZPL-GFCCVEGCSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CCc2cnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997683 1075746133 /nfs/dbraw/zinc/74/61/33/1075746133.db2.gz OVPRECSLIPHZPL-LBPRGKRZSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C[C@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997722 1075746030 /nfs/dbraw/zinc/74/60/30/1075746030.db2.gz PQCSZOMCYPFOTN-NEPJUHHUSA-N 0 1 388.432 -1.060 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C[C@@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997723 1075746057 /nfs/dbraw/zinc/74/60/57/1075746057.db2.gz PQCSZOMCYPFOTN-NWDGAFQWSA-N 0 1 388.432 -1.060 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C[C@@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997724 1075746040 /nfs/dbraw/zinc/74/60/40/1075746040.db2.gz PQCSZOMCYPFOTN-RYUDHWBXSA-N 0 1 388.432 -1.060 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C[C@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997725 1075746021 /nfs/dbraw/zinc/74/60/21/1075746021.db2.gz PQCSZOMCYPFOTN-VXGBXAGGSA-N 0 1 388.432 -1.060 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997728 1075746011 /nfs/dbraw/zinc/74/60/11/1075746011.db2.gz PTKSWTWYZNGHJN-BXKDBHETSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997729 1075746068 /nfs/dbraw/zinc/74/60/68/1075746068.db2.gz PTKSWTWYZNGHJN-CABZTGNLSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997730 1075746000 /nfs/dbraw/zinc/74/60/00/1075746000.db2.gz PTKSWTWYZNGHJN-JOYOIKCWSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997731 1075746089 /nfs/dbraw/zinc/74/60/89/1075746089.db2.gz PTKSWTWYZNGHJN-SKDRFNHKSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997758 1075746148 /nfs/dbraw/zinc/74/61/48/1075746148.db2.gz QKBMNUUUHCMLIB-GFCCVEGCSA-N 0 1 376.421 -1.787 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997759 1075746118 /nfs/dbraw/zinc/74/61/18/1075746118.db2.gz QKBMNUUUHCMLIB-LBPRGKRZSA-N 0 1 376.421 -1.787 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CN2CCCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997774 1075745988 /nfs/dbraw/zinc/74/59/88/1075745988.db2.gz QPZQSJOINMOJDI-LLVKDONJSA-N 0 1 389.420 -1.704 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CN2CCCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997775 1075746105 /nfs/dbraw/zinc/74/61/05/1075746105.db2.gz QPZQSJOINMOJDI-NSHDSACASA-N 0 1 389.420 -1.704 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CN(C)C(=O)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997790 1075746138 /nfs/dbraw/zinc/74/61/38/1075746138.db2.gz QZTPVYCGAAXSDT-GFCCVEGCSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CN(C)C(=O)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997791 1075746112 /nfs/dbraw/zinc/74/61/12/1075746112.db2.gz QZTPVYCGAAXSDT-LBPRGKRZSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C[C@H]2COC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997862 1075746096 /nfs/dbraw/zinc/74/60/96/1075746096.db2.gz SNCZTYNCCNWFHL-GHMZBOCLSA-N 0 1 375.389 -1.166 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C[C@H]2COC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997863 1075746079 /nfs/dbraw/zinc/74/60/79/1075746079.db2.gz SNCZTYNCCNWFHL-MNOVXSKESA-N 0 1 375.389 -1.166 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997864 1075746048 /nfs/dbraw/zinc/74/60/48/1075746048.db2.gz SNCZTYNCCNWFHL-QWRGUYRKSA-N 0 1 375.389 -1.166 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997865 1075746122 /nfs/dbraw/zinc/74/61/22/1075746122.db2.gz SNCZTYNCCNWFHL-WDEREUQCSA-N 0 1 375.389 -1.166 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@H]2CCNC(=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997872 1075746127 /nfs/dbraw/zinc/74/61/27/1075746127.db2.gz SQDXBCAJKFRQPS-NEPJUHHUSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997873 1075746324 /nfs/dbraw/zinc/74/63/24/1075746324.db2.gz SQDXBCAJKFRQPS-NWDGAFQWSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@@H]2CCNC(=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997874 1075746373 /nfs/dbraw/zinc/74/63/73/1075746373.db2.gz SQDXBCAJKFRQPS-RYUDHWBXSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2CCNC(=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997875 1075746333 /nfs/dbraw/zinc/74/63/33/1075746333.db2.gz SQDXBCAJKFRQPS-VXGBXAGGSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)C2CS(=O)(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997920 1075746346 /nfs/dbraw/zinc/74/63/46/1075746346.db2.gz UDWLBWUYVUULLR-JTQLQIEISA-N 0 1 381.418 -2.074 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)C2CS(=O)(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580997921 1075746369 /nfs/dbraw/zinc/74/63/69/1075746369.db2.gz UDWLBWUYVUULLR-SNVBAGLBSA-N 0 1 381.418 -2.074 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CO[C@H]2CCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998036 1075746292 /nfs/dbraw/zinc/74/62/92/1075746292.db2.gz WPAQUTKDLZNYGH-NEPJUHHUSA-N 0 1 377.405 -1.313 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CO[C@@H]2CCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998037 1075746284 /nfs/dbraw/zinc/74/62/84/1075746284.db2.gz WPAQUTKDLZNYGH-NWDGAFQWSA-N 0 1 377.405 -1.313 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CO[C@H]2CCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998038 1075746318 /nfs/dbraw/zinc/74/63/18/1075746318.db2.gz WPAQUTKDLZNYGH-RYUDHWBXSA-N 0 1 377.405 -1.313 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CO[C@@H]2CCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998039 1075746270 /nfs/dbraw/zinc/74/62/70/1075746270.db2.gz WPAQUTKDLZNYGH-VXGBXAGGSA-N 0 1 377.405 -1.313 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@]2(C)CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998053 1075746302 /nfs/dbraw/zinc/74/63/02/1075746302.db2.gz WVCBGFMCTHOOBH-APPDUMDISA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@@]2(C)CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998054 1075746277 /nfs/dbraw/zinc/74/62/77/1075746277.db2.gz WVCBGFMCTHOOBH-DIFFPNOSSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@@]2(C)CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998055 1075746339 /nfs/dbraw/zinc/74/63/39/1075746339.db2.gz WVCBGFMCTHOOBH-GTNSWQLSSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@]2(C)CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998057 1075746352 /nfs/dbraw/zinc/74/63/52/1075746352.db2.gz WVCBGFMCTHOOBH-PIGZYNQJSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@]2(C)CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998071 1075746310 /nfs/dbraw/zinc/74/63/10/1075746310.db2.gz WXVWHFIPXJXXPQ-APPDUMDISA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@@]2(C)CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998072 1075746381 /nfs/dbraw/zinc/74/63/81/1075746381.db2.gz WXVWHFIPXJXXPQ-DIFFPNOSSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@@]2(C)CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998073 1075746390 /nfs/dbraw/zinc/74/63/90/1075746390.db2.gz WXVWHFIPXJXXPQ-GTNSWQLSSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@]2(C)CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998074 1075746262 /nfs/dbraw/zinc/74/62/62/1075746262.db2.gz WXVWHFIPXJXXPQ-PIGZYNQJSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998143 1075746257 /nfs/dbraw/zinc/74/62/57/1075746257.db2.gz BCNSJXVRGPNIEM-JTQLQIEISA-N 0 1 388.392 -2.524 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998144 1075746570 /nfs/dbraw/zinc/74/65/70/1075746570.db2.gz BCNSJXVRGPNIEM-SNVBAGLBSA-N 0 1 388.392 -2.524 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)CCS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998200 1075746617 /nfs/dbraw/zinc/74/66/17/1075746617.db2.gz XUMZQNGUYPYYNV-JTQLQIEISA-N 0 1 383.434 -1.684 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)CCS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998201 1075746693 /nfs/dbraw/zinc/74/66/93/1075746693.db2.gz XUMZQNGUYPYYNV-SNVBAGLBSA-N 0 1 383.434 -1.684 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998214 1075746668 /nfs/dbraw/zinc/74/66/68/1075746668.db2.gz YEIUASLOOSLEET-NEPJUHHUSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998215 1075746684 /nfs/dbraw/zinc/74/66/84/1075746684.db2.gz YEIUASLOOSLEET-NWDGAFQWSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)[C@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998216 1075746706 /nfs/dbraw/zinc/74/67/06/1075746706.db2.gz YEIUASLOOSLEET-RYUDHWBXSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998217 1075746626 /nfs/dbraw/zinc/74/66/26/1075746626.db2.gz YEIUASLOOSLEET-VXGBXAGGSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)c2cn(C)c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998332 1075746645 /nfs/dbraw/zinc/74/66/45/1075746645.db2.gz DVFAKBOJJZZFJZ-JTQLQIEISA-N 0 1 387.404 -1.768 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)c2cn(C)c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998333 1075746710 /nfs/dbraw/zinc/74/67/10/1075746710.db2.gz DVFAKBOJJZZFJZ-SNVBAGLBSA-N 0 1 387.404 -1.768 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)c2cn(C)ccc2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998415 1075746659 /nfs/dbraw/zinc/74/66/59/1075746659.db2.gz HRGIRMHPUXWLMC-LLVKDONJSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)c2cn(C)ccc2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998416 1075746558 /nfs/dbraw/zinc/74/65/58/1075746558.db2.gz HRGIRMHPUXWLMC-NSHDSACASA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)c2ccn(C)c(=O)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998439 1075746677 /nfs/dbraw/zinc/74/66/77/1075746677.db2.gz IBUNBHNFBFPWBG-GFCCVEGCSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)c2ccn(C)c(=O)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998440 1075746635 /nfs/dbraw/zinc/74/66/35/1075746635.db2.gz IBUNBHNFBFPWBG-LBPRGKRZSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)c2cc3n(n2)CCO3)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998559 1075746582 /nfs/dbraw/zinc/74/65/82/1075746582.db2.gz KTZIWKRSLNXPKE-JTQLQIEISA-N 0 1 385.388 -1.216 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)c2cc3n(n2)CCO3)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998560 1075746594 /nfs/dbraw/zinc/74/65/94/1075746594.db2.gz KTZIWKRSLNXPKE-SNVBAGLBSA-N 0 1 385.388 -1.216 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)c2ccc(=O)n(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998594 1075746542 /nfs/dbraw/zinc/74/65/42/1075746542.db2.gz MHKISNDYWYQBHF-JTQLQIEISA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)c2ccc(=O)n(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998595 1075746608 /nfs/dbraw/zinc/74/66/08/1075746608.db2.gz MHKISNDYWYQBHF-SNVBAGLBSA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)c2cc(=O)n(C)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998680 1075746720 /nfs/dbraw/zinc/74/67/20/1075746720.db2.gz OIRTZQDPVXDSPN-JTQLQIEISA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)c2cc(=O)n(C)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998681 1075746715 /nfs/dbraw/zinc/74/67/15/1075746715.db2.gz OIRTZQDPVXDSPN-SNVBAGLBSA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)c2ccc(=O)n(C)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998716 1075746700 /nfs/dbraw/zinc/74/67/00/1075746700.db2.gz PKSQBIMJYJZJBL-GFCCVEGCSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)c2ccc(=O)n(C)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998717 1075746899 /nfs/dbraw/zinc/74/68/99/1075746899.db2.gz PKSQBIMJYJZJBL-LBPRGKRZSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)c2cccc(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998768 1075746886 /nfs/dbraw/zinc/74/68/86/1075746886.db2.gz RAXQWKSVCOQGFX-LLVKDONJSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)c2cccc(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998769 1075746818 /nfs/dbraw/zinc/74/68/18/1075746818.db2.gz RAXQWKSVCOQGFX-NSHDSACASA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC2(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580999365 1075746829 /nfs/dbraw/zinc/74/68/29/1075746829.db2.gz KUSJEHPAAWCZCI-NSHDSACASA-N 0 1 385.388 -1.349 20 0 GAADMN Cc1cc(NC2(CNC(=O)CN3CCNC(=O)C3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581000089 1075746948 /nfs/dbraw/zinc/74/69/48/1075746948.db2.gz UFGHCRNCABRWBS-UHFFFAOYSA-N 0 1 385.432 -1.515 20 0 GAADMN Cc1cc(NC2(CNC(=O)[C@H]3CCS(=O)(=O)N3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581000155 1075746910 /nfs/dbraw/zinc/74/69/10/1075746910.db2.gz VYKRCLKGDKAANL-LLVKDONJSA-N 0 1 392.445 -1.256 20 0 GAADMN Cc1cc(NC2(CNC(=O)[C@@H]3CCS(=O)(=O)N3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581000160 1075746837 /nfs/dbraw/zinc/74/68/37/1075746837.db2.gz VYKRCLKGDKAANL-NSHDSACASA-N 0 1 392.445 -1.256 20 0 GAADMN Cc1cc(NC2(CNC(=O)Cn3ncn(C)c3=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581000411 1075746935 /nfs/dbraw/zinc/74/69/35/1075746935.db2.gz YARYAUDPLMHZLV-UHFFFAOYSA-N 0 1 384.404 -1.352 20 0 GAADMN Cc1cc(NC2(CNC(=O)CN3CCOCC3=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581000414 1075746893 /nfs/dbraw/zinc/74/68/93/1075746893.db2.gz YGHUAWFBIKYHFQ-UHFFFAOYSA-N 0 1 386.416 -1.088 20 0 GAADMN Cc1cc(N[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581005687 1075746954 /nfs/dbraw/zinc/74/69/54/1075746954.db2.gz ANMXSTZJMLJWCU-LLVKDONJSA-N 0 1 384.404 -1.400 20 0 GAADMN Cc1cc(N[C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581006164 1075746922 /nfs/dbraw/zinc/74/69/22/1075746922.db2.gz LZAKYXBEBDCYII-GFCCVEGCSA-N 0 1 386.416 -1.136 20 0 GAADMN Cc1cc(N[C@H]2CCN(C(=O)CN3CCOCC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581006165 1075746844 /nfs/dbraw/zinc/74/68/44/1075746844.db2.gz LZAKYXBEBDCYII-LBPRGKRZSA-N 0 1 386.416 -1.136 20 0 GAADMN Cc1cc(N[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581006326 1075746906 /nfs/dbraw/zinc/74/69/06/1075746906.db2.gz OYZOLRGMOAXFTC-CMPLNLGQSA-N 0 1 392.445 -1.303 20 0 GAADMN Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581006327 1075746917 /nfs/dbraw/zinc/74/69/17/1075746917.db2.gz OYZOLRGMOAXFTC-JQWIXIFHSA-N 0 1 392.445 -1.303 20 0 GAADMN Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581006328 1075746869 /nfs/dbraw/zinc/74/68/69/1075746869.db2.gz OYZOLRGMOAXFTC-PWSUYJOCSA-N 0 1 392.445 -1.303 20 0 GAADMN Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581006329 1075746860 /nfs/dbraw/zinc/74/68/60/1075746860.db2.gz OYZOLRGMOAXFTC-ZYHUDNBSSA-N 0 1 392.445 -1.303 20 0 GAADMN Cc1cc(NC[C@@H](C)CNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581010003 1075746879 /nfs/dbraw/zinc/74/68/79/1075746879.db2.gz BKEJHHFGDDKKCW-LLVKDONJSA-N 0 1 387.448 -1.412 20 0 GAADMN Cc1cc(NC[C@H](C)CNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581010004 1075746928 /nfs/dbraw/zinc/74/69/28/1075746928.db2.gz BKEJHHFGDDKKCW-NSHDSACASA-N 0 1 387.448 -1.412 20 0 GAADMN Cc1cc(NC[C@@H](C)N(C)C(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011957 1075747286 /nfs/dbraw/zinc/74/72/86/1075747286.db2.gz PSFQTNQQYZDAQI-LLVKDONJSA-N 0 1 386.420 -1.154 20 0 GAADMN Cc1cc(NC[C@H](C)N(C)C(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011958 1075747255 /nfs/dbraw/zinc/74/72/55/1075747255.db2.gz PSFQTNQQYZDAQI-NSHDSACASA-N 0 1 386.420 -1.154 20 0 GAADMN Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581012589 1075747211 /nfs/dbraw/zinc/74/72/11/1075747211.db2.gz XQKDOZPFBMLIEQ-CABZTGNLSA-N 0 1 387.404 -1.151 20 0 GAADMN Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581012590 1075747291 /nfs/dbraw/zinc/74/72/91/1075747291.db2.gz XQKDOZPFBMLIEQ-SKDRFNHKSA-N 0 1 387.404 -1.151 20 0 GAADMN Cc1cc(NC[C@@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013966 1075747282 /nfs/dbraw/zinc/74/72/82/1075747282.db2.gz ZMEQWFQJLJFCOY-PELKAZGASA-N 0 1 387.404 -1.246 20 0 GAADMN Cc1cc(NC[C@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013967 1075747293 /nfs/dbraw/zinc/74/72/93/1075747293.db2.gz ZMEQWFQJLJFCOY-UFBFGSQYSA-N 0 1 387.404 -1.246 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)CN2CCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014014 1075747276 /nfs/dbraw/zinc/74/72/76/1075747276.db2.gz AVFSSRVBQFBCGT-GFCCVEGCSA-N 0 1 388.432 -1.154 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)CN2CCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014015 1075747248 /nfs/dbraw/zinc/74/72/48/1075747248.db2.gz AVFSSRVBQFBCGT-LBPRGKRZSA-N 0 1 388.432 -1.154 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)CNC(=O)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014044 1075747174 /nfs/dbraw/zinc/74/71/74/1075747174.db2.gz BRBSJXQLFMFHEN-GFCCVEGCSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)CNC(=O)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014045 1075747240 /nfs/dbraw/zinc/74/72/40/1075747240.db2.gz BRBSJXQLFMFHEN-LBPRGKRZSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014328 1075747201 /nfs/dbraw/zinc/74/72/01/1075747201.db2.gz GSWSHVWVHXYIBO-NEPJUHHUSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014329 1075747296 /nfs/dbraw/zinc/74/72/96/1075747296.db2.gz GSWSHVWVHXYIBO-NWDGAFQWSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014330 1075747186 /nfs/dbraw/zinc/74/71/86/1075747186.db2.gz GSWSHVWVHXYIBO-RYUDHWBXSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014331 1075747298 /nfs/dbraw/zinc/74/72/98/1075747298.db2.gz GSWSHVWVHXYIBO-VXGBXAGGSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014374 1075747495 /nfs/dbraw/zinc/74/74/95/1075747495.db2.gz HPSDIFQMVVBOOG-NEPJUHHUSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014375 1075747465 /nfs/dbraw/zinc/74/74/65/1075747465.db2.gz HPSDIFQMVVBOOG-NWDGAFQWSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014376 1075747481 /nfs/dbraw/zinc/74/74/81/1075747481.db2.gz HPSDIFQMVVBOOG-RYUDHWBXSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014377 1075747517 /nfs/dbraw/zinc/74/75/17/1075747517.db2.gz HPSDIFQMVVBOOG-VXGBXAGGSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014508 1075747472 /nfs/dbraw/zinc/74/74/72/1075747472.db2.gz ICTBPNVFPULLSN-BXKDBHETSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014509 1075747544 /nfs/dbraw/zinc/74/75/44/1075747544.db2.gz ICTBPNVFPULLSN-CABZTGNLSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014510 1075747555 /nfs/dbraw/zinc/74/75/55/1075747555.db2.gz ICTBPNVFPULLSN-JOYOIKCWSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014511 1075747549 /nfs/dbraw/zinc/74/75/49/1075747549.db2.gz ICTBPNVFPULLSN-SKDRFNHKSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014526 1075747537 /nfs/dbraw/zinc/74/75/37/1075747537.db2.gz IHLNVLFUPPAYIB-BXUZGUMPSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2CCCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014527 1075747512 /nfs/dbraw/zinc/74/75/12/1075747512.db2.gz IHLNVLFUPPAYIB-FZMZJTMJSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CCCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014528 1075747489 /nfs/dbraw/zinc/74/74/89/1075747489.db2.gz IHLNVLFUPPAYIB-RISCZKNCSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014529 1075747415 /nfs/dbraw/zinc/74/74/15/1075747415.db2.gz IHLNVLFUPPAYIB-SMDDNHRTSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)c2cnn(C)c2N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014550 1075747389 /nfs/dbraw/zinc/74/73/89/1075747389.db2.gz ITVLOXSNCBEHRG-JTQLQIEISA-N 0 1 386.420 -1.147 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)c2cnn(C)c2N)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014551 1075747403 /nfs/dbraw/zinc/74/74/03/1075747403.db2.gz ITVLOXSNCBEHRG-SNVBAGLBSA-N 0 1 386.420 -1.147 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CCN2CCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014572 1075747559 /nfs/dbraw/zinc/74/75/59/1075747559.db2.gz JFLUACRNFCYBNS-GFCCVEGCSA-N 0 1 388.432 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CCN2CCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014573 1075747502 /nfs/dbraw/zinc/74/75/02/1075747502.db2.gz JFLUACRNFCYBNS-LBPRGKRZSA-N 0 1 388.432 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)c2c[nH]c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014707 1075747831 /nfs/dbraw/zinc/74/78/31/1075747831.db2.gz KMYFTEUIQJGEOL-JTQLQIEISA-N 0 1 387.404 -1.024 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)c2c[nH]c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014708 1075747762 /nfs/dbraw/zinc/74/77/62/1075747762.db2.gz KMYFTEUIQJGEOL-SNVBAGLBSA-N 0 1 387.404 -1.024 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)C[C@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014729 1075747815 /nfs/dbraw/zinc/74/78/15/1075747815.db2.gz KTNLVDQMBAHGNC-NEPJUHHUSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)C[C@@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014731 1075747852 /nfs/dbraw/zinc/74/78/52/1075747852.db2.gz KTNLVDQMBAHGNC-NWDGAFQWSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)C[C@@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014735 1075747825 /nfs/dbraw/zinc/74/78/25/1075747825.db2.gz KTNLVDQMBAHGNC-RYUDHWBXSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)C[C@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014738 1075747849 /nfs/dbraw/zinc/74/78/49/1075747849.db2.gz KTNLVDQMBAHGNC-VXGBXAGGSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)CCn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014768 1075747837 /nfs/dbraw/zinc/74/78/37/1075747837.db2.gz LEXULHZZOJVZJP-GFCCVEGCSA-N 0 1 386.420 -1.095 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)CCn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014770 1075747790 /nfs/dbraw/zinc/74/77/90/1075747790.db2.gz LEXULHZZOJVZJP-LBPRGKRZSA-N 0 1 386.420 -1.095 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)C[C@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014866 1075747841 /nfs/dbraw/zinc/74/78/41/1075747841.db2.gz MWJXMYGOBHXLSZ-NEPJUHHUSA-N 0 1 388.432 -1.060 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)C[C@@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014868 1075747769 /nfs/dbraw/zinc/74/77/69/1075747769.db2.gz MWJXMYGOBHXLSZ-NWDGAFQWSA-N 0 1 388.432 -1.060 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)C[C@@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014870 1075747783 /nfs/dbraw/zinc/74/77/83/1075747783.db2.gz MWJXMYGOBHXLSZ-RYUDHWBXSA-N 0 1 388.432 -1.060 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)C[C@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581014872 1075747845 /nfs/dbraw/zinc/74/78/45/1075747845.db2.gz MWJXMYGOBHXLSZ-VXGBXAGGSA-N 0 1 388.432 -1.060 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015000 1075747829 /nfs/dbraw/zinc/74/78/29/1075747829.db2.gz NTFTYUCWPUFWGV-NXEZZACHSA-N 0 1 383.434 -1.686 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015001 1075747833 /nfs/dbraw/zinc/74/78/33/1075747833.db2.gz NTFTYUCWPUFWGV-UWVGGRQHSA-N 0 1 383.434 -1.686 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015002 1075747822 /nfs/dbraw/zinc/74/78/22/1075747822.db2.gz NTFTYUCWPUFWGV-VHSXEESVSA-N 0 1 383.434 -1.686 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015003 1075747796 /nfs/dbraw/zinc/74/77/96/1075747796.db2.gz NTFTYUCWPUFWGV-ZJUUUORDSA-N 0 1 383.434 -1.686 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)c2c[nH]c(=O)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015054 1075747809 /nfs/dbraw/zinc/74/78/09/1075747809.db2.gz PBFLYUSLIUPUSX-JTQLQIEISA-N 0 1 385.388 -1.380 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)c2c[nH]c(=O)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015055 1075747819 /nfs/dbraw/zinc/74/78/19/1075747819.db2.gz PBFLYUSLIUPUSX-SNVBAGLBSA-N 0 1 385.388 -1.380 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CCS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015070 1075747777 /nfs/dbraw/zinc/74/77/77/1075747777.db2.gz PDZLOIYPSKIJLC-JTQLQIEISA-N 0 1 383.434 -1.684 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CCS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015071 1075747803 /nfs/dbraw/zinc/74/78/03/1075747803.db2.gz PDZLOIYPSKIJLC-SNVBAGLBSA-N 0 1 383.434 -1.684 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)CS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015084 1075748091 /nfs/dbraw/zinc/74/80/91/1075748091.db2.gz PIMIYQICKXQSPW-JTQLQIEISA-N 0 1 383.434 -1.732 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)CS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015085 1075748144 /nfs/dbraw/zinc/74/81/44/1075748144.db2.gz PIMIYQICKXQSPW-SNVBAGLBSA-N 0 1 383.434 -1.732 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015198 1075748129 /nfs/dbraw/zinc/74/81/29/1075748129.db2.gz PLACYIDPJYDKQC-BXUZGUMPSA-N 0 1 388.432 -1.156 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015199 1075748097 /nfs/dbraw/zinc/74/80/97/1075748097.db2.gz PLACYIDPJYDKQC-FZMZJTMJSA-N 0 1 388.432 -1.156 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015200 1075748053 /nfs/dbraw/zinc/74/80/53/1075748053.db2.gz PLACYIDPJYDKQC-RISCZKNCSA-N 0 1 388.432 -1.156 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015201 1075748123 /nfs/dbraw/zinc/74/81/23/1075748123.db2.gz PLACYIDPJYDKQC-SMDDNHRTSA-N 0 1 388.432 -1.156 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@]2(C)CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015220 1075748105 /nfs/dbraw/zinc/74/81/05/1075748105.db2.gz PTLMYQHUPHBZEF-APPDUMDISA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@@]2(C)CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015221 1075748058 /nfs/dbraw/zinc/74/80/58/1075748058.db2.gz PTLMYQHUPHBZEF-DIFFPNOSSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@@]2(C)CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015222 1075748076 /nfs/dbraw/zinc/74/80/76/1075748076.db2.gz PTLMYQHUPHBZEF-GTNSWQLSSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@]2(C)CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015223 1075748135 /nfs/dbraw/zinc/74/81/35/1075748135.db2.gz PTLMYQHUPHBZEF-PIGZYNQJSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015260 1075748000 /nfs/dbraw/zinc/74/80/00/1075748000.db2.gz QMMPKOWXCRPLIT-BXKDBHETSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015261 1075748013 /nfs/dbraw/zinc/74/80/13/1075748013.db2.gz QMMPKOWXCRPLIT-CABZTGNLSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015262 1075748067 /nfs/dbraw/zinc/74/80/67/1075748067.db2.gz QMMPKOWXCRPLIT-JOYOIKCWSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015263 1075748044 /nfs/dbraw/zinc/74/80/44/1075748044.db2.gz QMMPKOWXCRPLIT-SKDRFNHKSA-N 0 1 375.393 -2.095 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015286 1075748037 /nfs/dbraw/zinc/74/80/37/1075748037.db2.gz ABDHJJHUQOTKHU-GXSJLCMTSA-N 0 1 376.421 -1.265 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H](C)CC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015287 1075747990 /nfs/dbraw/zinc/74/79/90/1075747990.db2.gz ABDHJJHUQOTKHU-KOLCDFICSA-N 0 1 376.421 -1.265 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H](C)CC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015288 1075748113 /nfs/dbraw/zinc/74/81/13/1075748113.db2.gz ABDHJJHUQOTKHU-MWLCHTKSSA-N 0 1 376.421 -1.265 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015289 1075748082 /nfs/dbraw/zinc/74/80/82/1075748082.db2.gz ABDHJJHUQOTKHU-ONGXEEELSA-N 0 1 376.421 -1.265 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015431 1075748338 /nfs/dbraw/zinc/74/83/38/1075748338.db2.gz RBEBWTLVBJXUOS-NEPJUHHUSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015432 1075748388 /nfs/dbraw/zinc/74/83/88/1075748388.db2.gz RBEBWTLVBJXUOS-NWDGAFQWSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015433 1075748347 /nfs/dbraw/zinc/74/83/47/1075748347.db2.gz RBEBWTLVBJXUOS-RYUDHWBXSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015435 1075748327 /nfs/dbraw/zinc/74/83/27/1075748327.db2.gz RBEBWTLVBJXUOS-VXGBXAGGSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)C[C@H]2CCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015441 1075748423 /nfs/dbraw/zinc/74/84/23/1075748423.db2.gz RDFQCMDWCRMTLE-NEPJUHHUSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)C[C@@H]2CCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015442 1075748452 /nfs/dbraw/zinc/74/84/52/1075748452.db2.gz RDFQCMDWCRMTLE-NWDGAFQWSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)C[C@@H]2CCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015444 1075748372 /nfs/dbraw/zinc/74/83/72/1075748372.db2.gz RDFQCMDWCRMTLE-RYUDHWBXSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)C[C@H]2CCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015446 1075748318 /nfs/dbraw/zinc/74/83/18/1075748318.db2.gz RDFQCMDWCRMTLE-VXGBXAGGSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1c(C(=O)N(C)C[C@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nnn1C ZINC001581015518 1075748355 /nfs/dbraw/zinc/74/83/55/1075748355.db2.gz RUIJPSHJVRHICS-LLVKDONJSA-N 0 1 386.420 -1.026 20 0 GAADMN Cc1c(C(=O)N(C)C[C@@H](O)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)nnn1C ZINC001581015520 1075748438 /nfs/dbraw/zinc/74/84/38/1075748438.db2.gz RUIJPSHJVRHICS-NSHDSACASA-N 0 1 386.420 -1.026 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CCc2cnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015670 1075748404 /nfs/dbraw/zinc/74/84/04/1075748404.db2.gz TXRJZODSLAPHAD-GFCCVEGCSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CCc2cnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015671 1075748411 /nfs/dbraw/zinc/74/84/11/1075748411.db2.gz TXRJZODSLAPHAD-LBPRGKRZSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015689 1075748459 /nfs/dbraw/zinc/74/84/59/1075748459.db2.gz UCWYBMVOZXUAOH-BXKDBHETSA-N 0 1 376.377 -1.668 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015693 1075748432 /nfs/dbraw/zinc/74/84/32/1075748432.db2.gz UCWYBMVOZXUAOH-CABZTGNLSA-N 0 1 376.377 -1.668 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015694 1075748395 /nfs/dbraw/zinc/74/83/95/1075748395.db2.gz UCWYBMVOZXUAOH-JOYOIKCWSA-N 0 1 376.377 -1.668 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015695 1075748418 /nfs/dbraw/zinc/74/84/18/1075748418.db2.gz UCWYBMVOZXUAOH-SKDRFNHKSA-N 0 1 376.377 -1.668 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@]2(C)CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015704 1075748379 /nfs/dbraw/zinc/74/83/79/1075748379.db2.gz UDWYKBLCNZVBBN-APPDUMDISA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@@]2(C)CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015706 1075748444 /nfs/dbraw/zinc/74/84/44/1075748444.db2.gz UDWYKBLCNZVBBN-DIFFPNOSSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@@]2(C)CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015708 1075748364 /nfs/dbraw/zinc/74/83/64/1075748364.db2.gz UDWYKBLCNZVBBN-GTNSWQLSSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@]2(C)CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015710 1075748308 /nfs/dbraw/zinc/74/83/08/1075748308.db2.gz UDWYKBLCNZVBBN-PIGZYNQJSA-N 0 1 388.432 -1.203 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CCCn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015782 1075748738 /nfs/dbraw/zinc/74/87/38/1075748738.db2.gz VFGXMTVAGMOVNV-GFCCVEGCSA-N 0 1 386.420 -1.047 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CCCn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581015784 1075748690 /nfs/dbraw/zinc/74/86/90/1075748690.db2.gz VFGXMTVAGMOVNV-LBPRGKRZSA-N 0 1 386.420 -1.047 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)CCn2cnnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016036 1075748679 /nfs/dbraw/zinc/74/86/79/1075748679.db2.gz XBQVPAXXUONOMW-LLVKDONJSA-N 0 1 387.408 -1.700 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)CCn2cnnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016037 1075748604 /nfs/dbraw/zinc/74/86/04/1075748604.db2.gz XBQVPAXXUONOMW-NSHDSACASA-N 0 1 387.408 -1.700 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016052 1075748664 /nfs/dbraw/zinc/74/86/64/1075748664.db2.gz XJRRGUHLGAJHDH-NEPJUHHUSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016053 1075748631 /nfs/dbraw/zinc/74/86/31/1075748631.db2.gz XJRRGUHLGAJHDH-NWDGAFQWSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016054 1075748640 /nfs/dbraw/zinc/74/86/40/1075748640.db2.gz XJRRGUHLGAJHDH-RYUDHWBXSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016055 1075748621 /nfs/dbraw/zinc/74/86/21/1075748621.db2.gz XJRRGUHLGAJHDH-VXGBXAGGSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016056 1075748653 /nfs/dbraw/zinc/74/86/53/1075748653.db2.gz XLJHPGYXNBCSKD-NEPJUHHUSA-N 0 1 388.432 -1.298 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016057 1075748694 /nfs/dbraw/zinc/74/86/94/1075748694.db2.gz XLJHPGYXNBCSKD-NWDGAFQWSA-N 0 1 388.432 -1.298 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016058 1075748598 /nfs/dbraw/zinc/74/85/98/1075748598.db2.gz XLJHPGYXNBCSKD-RYUDHWBXSA-N 0 1 388.432 -1.298 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016059 1075748710 /nfs/dbraw/zinc/74/87/10/1075748710.db2.gz XLJHPGYXNBCSKD-VXGBXAGGSA-N 0 1 388.432 -1.298 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)C[C@H]2CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016060 1075748590 /nfs/dbraw/zinc/74/85/90/1075748590.db2.gz XMIWBVYDLTWQOR-NEPJUHHUSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)C[C@@H]2CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016061 1075748670 /nfs/dbraw/zinc/74/86/70/1075748670.db2.gz XMIWBVYDLTWQOR-NWDGAFQWSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)C[C@@H]2CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016062 1075748704 /nfs/dbraw/zinc/74/87/04/1075748704.db2.gz XMIWBVYDLTWQOR-RYUDHWBXSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)C[C@H]2CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016063 1075748648 /nfs/dbraw/zinc/74/86/48/1075748648.db2.gz XMIWBVYDLTWQOR-VXGBXAGGSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)C2CS(=O)(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016072 1075748659 /nfs/dbraw/zinc/74/86/59/1075748659.db2.gz XRNWDSMCNHNQKZ-JTQLQIEISA-N 0 1 381.418 -2.074 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016073 1075748613 /nfs/dbraw/zinc/74/86/13/1075748613.db2.gz XRNWDSMCNHNQKZ-SNVBAGLBSA-N 0 1 381.418 -2.074 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2COCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016098 1075748995 /nfs/dbraw/zinc/74/89/95/1075748995.db2.gz YCFZLLFLGDIMBX-BXUZGUMPSA-N 0 1 377.405 -1.361 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2COCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016099 1075749052 /nfs/dbraw/zinc/74/90/52/1075749052.db2.gz YCFZLLFLGDIMBX-FZMZJTMJSA-N 0 1 377.405 -1.361 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2COCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016100 1075749032 /nfs/dbraw/zinc/74/90/32/1075749032.db2.gz YCFZLLFLGDIMBX-RISCZKNCSA-N 0 1 377.405 -1.361 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2COCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016101 1075749014 /nfs/dbraw/zinc/74/90/14/1075749014.db2.gz YCFZLLFLGDIMBX-SMDDNHRTSA-N 0 1 377.405 -1.361 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@]2(C)CCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016130 1075748980 /nfs/dbraw/zinc/74/89/80/1075748980.db2.gz ZBKJHLUUEVQPSU-DIFFPNOSSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@]2(C)CCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016131 1075749041 /nfs/dbraw/zinc/74/90/41/1075749041.db2.gz ZBKJHLUUEVQPSU-GTNSWQLSSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CO[C@H]2CCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016761 1075748957 /nfs/dbraw/zinc/74/89/57/1075748957.db2.gz BFJRYINMAAWGQA-NEPJUHHUSA-N 0 1 377.405 -1.313 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CO[C@@H]2CCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016763 1075749022 /nfs/dbraw/zinc/74/90/22/1075749022.db2.gz BFJRYINMAAWGQA-NWDGAFQWSA-N 0 1 377.405 -1.313 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CO[C@H]2CCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016764 1075748966 /nfs/dbraw/zinc/74/89/66/1075748966.db2.gz BFJRYINMAAWGQA-RYUDHWBXSA-N 0 1 377.405 -1.313 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CO[C@@H]2CCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016765 1075749048 /nfs/dbraw/zinc/74/90/48/1075749048.db2.gz BFJRYINMAAWGQA-VXGBXAGGSA-N 0 1 377.405 -1.313 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2cn(C)ccc2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016855 1075749018 /nfs/dbraw/zinc/74/90/18/1075749018.db2.gz CMZQSTZNUFECFZ-LLVKDONJSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2cn(C)ccc2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016856 1075749037 /nfs/dbraw/zinc/74/90/37/1075749037.db2.gz CMZQSTZNUFECFZ-NSHDSACASA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016901 1075748948 /nfs/dbraw/zinc/74/89/48/1075748948.db2.gz DQFHGJFFBBHOIA-GFCCVEGCSA-N 0 1 376.421 -1.787 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016902 1075749027 /nfs/dbraw/zinc/74/90/27/1075749027.db2.gz DQFHGJFFBBHOIA-LBPRGKRZSA-N 0 1 376.421 -1.787 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016911 1075749010 /nfs/dbraw/zinc/74/90/10/1075749010.db2.gz DYYRFPSOVVKTQR-JTQLQIEISA-N 0 1 388.392 -2.524 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581016912 1075748972 /nfs/dbraw/zinc/74/89/72/1075748972.db2.gz DYYRFPSOVVKTQR-SNVBAGLBSA-N 0 1 388.392 -2.524 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017052 1075749289 /nfs/dbraw/zinc/74/92/89/1075749289.db2.gz FSGKIIYNYFSBOO-JTQLQIEISA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017053 1075749333 /nfs/dbraw/zinc/74/93/33/1075749333.db2.gz FSGKIIYNYFSBOO-SNVBAGLBSA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CN2CCCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017287 1075749310 /nfs/dbraw/zinc/74/93/10/1075749310.db2.gz IZSZAYVMCUUCRN-GFCCVEGCSA-N 0 1 388.432 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CN2CCCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017288 1075749264 /nfs/dbraw/zinc/74/92/64/1075749264.db2.gz IZSZAYVMCUUCRN-LBPRGKRZSA-N 0 1 388.432 -1.106 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2ccn(C)c(=O)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017319 1075749355 /nfs/dbraw/zinc/74/93/55/1075749355.db2.gz JQYLVWCGFFUEQI-GFCCVEGCSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2ccn(C)c(=O)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017320 1075749218 /nfs/dbraw/zinc/74/92/18/1075749218.db2.gz JQYLVWCGFFUEQI-LBPRGKRZSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)Cn2ccccc2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017341 1075749391 /nfs/dbraw/zinc/74/93/91/1075749391.db2.gz KFOFZKGMKORUAX-GFCCVEGCSA-N 0 1 384.400 -1.257 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)Cn2ccccc2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017342 1075749369 /nfs/dbraw/zinc/74/93/69/1075749369.db2.gz KFOFZKGMKORUAX-LBPRGKRZSA-N 0 1 384.400 -1.257 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2cc(=O)n(C)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017635 1075749277 /nfs/dbraw/zinc/74/92/77/1075749277.db2.gz OGZVMCKPGYKUOS-JTQLQIEISA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2cc(=O)n(C)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017636 1075749344 /nfs/dbraw/zinc/74/93/44/1075749344.db2.gz OGZVMCKPGYKUOS-SNVBAGLBSA-N 0 1 385.388 -1.711 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2cc3n(n2)CCO3)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017697 1075749415 /nfs/dbraw/zinc/74/94/15/1075749415.db2.gz QDDFCQXMWFMAPP-JTQLQIEISA-N 0 1 385.388 -1.216 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2cc3n(n2)CCO3)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017698 1075749232 /nfs/dbraw/zinc/74/92/32/1075749232.db2.gz QDDFCQXMWFMAPP-SNVBAGLBSA-N 0 1 385.388 -1.216 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2cn(C)c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017758 1075749320 /nfs/dbraw/zinc/74/93/20/1075749320.db2.gz SEHHHWDIMSVHQR-JTQLQIEISA-N 0 1 387.404 -1.768 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2cn(C)c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017759 1075749405 /nfs/dbraw/zinc/74/94/05/1075749405.db2.gz SEHHHWDIMSVHQR-SNVBAGLBSA-N 0 1 387.404 -1.768 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CN2CCOCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017874 1075749241 /nfs/dbraw/zinc/74/92/41/1075749241.db2.gz VOECYOKIABIOOC-LLVKDONJSA-N 0 1 390.404 -2.260 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CN2CCOCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017875 1075749222 /nfs/dbraw/zinc/74/92/22/1075749222.db2.gz VOECYOKIABIOOC-NSHDSACASA-N 0 1 390.404 -2.260 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2cccc(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017882 1075749300 /nfs/dbraw/zinc/74/93/00/1075749300.db2.gz VROJDNNABORRRW-LLVKDONJSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2cccc(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017883 1075749381 /nfs/dbraw/zinc/74/93/81/1075749381.db2.gz VROJDNNABORRRW-NSHDSACASA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2cccn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017892 1075749253 /nfs/dbraw/zinc/74/92/53/1075749253.db2.gz VVSMFFCSKRLUHN-LLVKDONJSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2cccn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017893 1075749270 /nfs/dbraw/zinc/74/92/70/1075749270.db2.gz VVSMFFCSKRLUHN-NSHDSACASA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017965 1075749567 /nfs/dbraw/zinc/74/95/67/1075749567.db2.gz XYTPNQMRVWSGGF-LLVKDONJSA-N 0 1 389.420 -2.687 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581017966 1075749590 /nfs/dbraw/zinc/74/95/90/1075749590.db2.gz XYTPNQMRVWSGGF-NSHDSACASA-N 0 1 389.420 -2.687 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CN(C)C(=O)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581018045 1075749550 /nfs/dbraw/zinc/74/95/50/1075749550.db2.gz ZRLUJDHZSWQZBK-GFCCVEGCSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CN(C)C(=O)C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581018046 1075749657 /nfs/dbraw/zinc/74/96/57/1075749657.db2.gz ZRLUJDHZSWQZBK-LBPRGKRZSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CN2CCCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581018061 1075749545 /nfs/dbraw/zinc/74/95/45/1075749545.db2.gz ZXVIOCRBMQGCNA-LLVKDONJSA-N 0 1 389.420 -1.704 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CN2CCCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581018062 1075749571 /nfs/dbraw/zinc/74/95/71/1075749571.db2.gz ZXVIOCRBMQGCNA-NSHDSACASA-N 0 1 389.420 -1.704 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581023545 1075749614 /nfs/dbraw/zinc/74/96/14/1075749614.db2.gz QBBYMLZWTCCQSC-GWCFXTLKSA-N 0 1 387.404 -1.687 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581023546 1075749622 /nfs/dbraw/zinc/74/96/22/1075749622.db2.gz QBBYMLZWTCCQSC-GXFFZTMASA-N 0 1 387.404 -1.687 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581023547 1075749584 /nfs/dbraw/zinc/74/95/84/1075749584.db2.gz QBBYMLZWTCCQSC-MFKMUULPSA-N 0 1 387.404 -1.687 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581023548 1075749663 /nfs/dbraw/zinc/74/96/63/1075749663.db2.gz QBBYMLZWTCCQSC-ZWNOBZJWSA-N 0 1 387.404 -1.687 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024092 1075749577 /nfs/dbraw/zinc/74/95/77/1075749577.db2.gz AIOKYQIBNBVTRW-AAEUAGOBSA-N 0 1 386.416 -1.090 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024093 1075749561 /nfs/dbraw/zinc/74/95/61/1075749561.db2.gz AIOKYQIBNBVTRW-DGCLKSJQSA-N 0 1 386.416 -1.090 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024094 1075749556 /nfs/dbraw/zinc/74/95/56/1075749556.db2.gz AIOKYQIBNBVTRW-WCQYABFASA-N 0 1 386.416 -1.090 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024095 1075749605 /nfs/dbraw/zinc/74/96/05/1075749605.db2.gz AIOKYQIBNBVTRW-YPMHNXCESA-N 0 1 386.416 -1.090 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024128 1075749637 /nfs/dbraw/zinc/74/96/37/1075749637.db2.gz BGXLYRKZAAWYOT-JTQLQIEISA-N 0 1 385.392 -1.531 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024129 1075749643 /nfs/dbraw/zinc/74/96/43/1075749643.db2.gz BGXLYRKZAAWYOT-SNVBAGLBSA-N 0 1 385.392 -1.531 20 0 GAADMN Cc1cc(NC/C=C\CNC(=O)[C@@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024339 1075749535 /nfs/dbraw/zinc/74/95/35/1075749535.db2.gz GELMQKLIDNKTFC-DLGQBQFBSA-N 0 1 392.445 -1.232 20 0 GAADMN Cc1cc(NC/C=C/CNC(=O)[C@@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024340 1075749540 /nfs/dbraw/zinc/74/95/40/1075749540.db2.gz GELMQKLIDNKTFC-JDGPPOGSSA-N 0 1 392.445 -1.232 20 0 GAADMN Cc1cc(NC/C=C/CNC(=O)[C@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024341 1075749597 /nfs/dbraw/zinc/74/95/97/1075749597.db2.gz GELMQKLIDNKTFC-QAVQXKDTSA-N 0 1 392.445 -1.232 20 0 GAADMN Cc1cc(NC/C=C\CNC(=O)[C@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024342 1075750016 /nfs/dbraw/zinc/75/00/16/1075750016.db2.gz GELMQKLIDNKTFC-ZZKXABKFSA-N 0 1 392.445 -1.232 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024361 1075750025 /nfs/dbraw/zinc/75/00/25/1075750025.db2.gz GTBKPRNJFPDPMT-LLVKDONJSA-N 0 1 385.392 -1.682 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)Cn3cnnn3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024362 1075750005 /nfs/dbraw/zinc/75/00/05/1075750005.db2.gz GTBKPRNJFPDPMT-NSHDSACASA-N 0 1 385.392 -1.682 20 0 GAADMN Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024481 1075749984 /nfs/dbraw/zinc/74/99/84/1075749984.db2.gz AOSAVHDNXMQMQS-PELKAZGASA-N 0 1 387.404 -1.103 20 0 GAADMN Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024482 1075749922 /nfs/dbraw/zinc/74/99/22/1075749922.db2.gz AOSAVHDNXMQMQS-UFBFGSQYSA-N 0 1 387.404 -1.103 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)Cn3cncn3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025053 1075749847 /nfs/dbraw/zinc/74/98/47/1075749847.db2.gz NTQCQRLJVPTELY-GFCCVEGCSA-N 0 1 384.404 -1.077 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)Cn3cncn3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025054 1075749859 /nfs/dbraw/zinc/74/98/59/1075749859.db2.gz NTQCQRLJVPTELY-LBPRGKRZSA-N 0 1 384.404 -1.077 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025177 1075749952 /nfs/dbraw/zinc/74/99/52/1075749952.db2.gz QDFMMSDFNZEBLN-TUAOUCFPSA-N 0 1 386.416 -1.247 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025178 1075749935 /nfs/dbraw/zinc/74/99/35/1075749935.db2.gz QDFMMSDFNZEBLN-UTUOFQBUSA-N 0 1 386.416 -1.247 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)[C@H](C)NC(N)=O)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025205 1075749943 /nfs/dbraw/zinc/74/99/43/1075749943.db2.gz RCTIKFUHWPXPBV-QWRGUYRKSA-N 0 1 389.420 -1.312 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025206 1075749962 /nfs/dbraw/zinc/74/99/62/1075749962.db2.gz RCTIKFUHWPXPBV-WDEREUQCSA-N 0 1 389.420 -1.312 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)CCNC(N)=O)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025302 1075749889 /nfs/dbraw/zinc/74/98/89/1075749889.db2.gz SYBCDKSEABGREO-LLVKDONJSA-N 0 1 389.420 -1.310 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)CCNC(N)=O)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025303 1075749816 /nfs/dbraw/zinc/74/98/16/1075749816.db2.gz SYBCDKSEABGREO-NSHDSACASA-N 0 1 389.420 -1.310 20 0 GAADMN Cc1cc(NC/C=C\CNC(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025576 1075749873 /nfs/dbraw/zinc/74/98/73/1075749873.db2.gz WWGFQARTKKIVTB-DLGQBQFBSA-N 0 1 385.388 -1.326 20 0 GAADMN Cc1cc(NC/C=C/CNC(=O)[C@@H]2CC(=O)NC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025577 1075749837 /nfs/dbraw/zinc/74/98/37/1075749837.db2.gz WWGFQARTKKIVTB-JDGPPOGSSA-N 0 1 385.388 -1.326 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025777 1075749900 /nfs/dbraw/zinc/74/99/00/1075749900.db2.gz ZAUWQDHLWUJPTK-LLVKDONJSA-N 0 1 385.392 -1.682 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)Cn3ncnn3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025778 1075749975 /nfs/dbraw/zinc/74/99/75/1075749975.db2.gz ZAUWQDHLWUJPTK-NSHDSACASA-N 0 1 385.392 -1.682 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025807 1075749993 /nfs/dbraw/zinc/74/99/93/1075749993.db2.gz ZINYQKIGVOSHFR-GWCFXTLKSA-N 0 1 388.388 -1.260 20 0 GAADMN Cc1cc(NC[C@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025810 1075749912 /nfs/dbraw/zinc/74/99/12/1075749912.db2.gz ZINYQKIGVOSHFR-GXFFZTMASA-N 0 1 388.388 -1.260 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025811 1075749826 /nfs/dbraw/zinc/74/98/26/1075749826.db2.gz ZINYQKIGVOSHFR-MFKMUULPSA-N 0 1 388.388 -1.260 20 0 GAADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581025812 1075750240 /nfs/dbraw/zinc/75/02/40/1075750240.db2.gz ZINYQKIGVOSHFR-ZWNOBZJWSA-N 0 1 388.388 -1.260 20 0 GAADMN Cc1cc(NCCCNC(=O)CCNS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026680 1075750252 /nfs/dbraw/zinc/75/02/52/1075750252.db2.gz HBFKHWCMULBJFN-UHFFFAOYSA-N 0 1 382.450 -1.150 20 0 GAADMN Cc1cc(NCC[C@@H](C)NC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026975 1075750189 /nfs/dbraw/zinc/75/01/89/1075750189.db2.gz PGUMRLZFFRPXDI-LLVKDONJSA-N 0 1 387.448 -1.269 20 0 GAADMN Cc1cc(NCC[C@H](C)NC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026976 1075750206 /nfs/dbraw/zinc/75/02/06/1075750206.db2.gz PGUMRLZFFRPXDI-NSHDSACASA-N 0 1 387.448 -1.269 20 0 GAADMN Cc1cc(NCCN(C)C(=O)[C@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027047 1075750303 /nfs/dbraw/zinc/75/03/03/1075750303.db2.gz KUOXLXBLVHHCLV-LLVKDONJSA-N 0 1 380.434 -1.446 20 0 GAADMN Cc1cc(NCCN(C)C(=O)[C@@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027048 1075750292 /nfs/dbraw/zinc/75/02/92/1075750292.db2.gz KUOXLXBLVHHCLV-NSHDSACASA-N 0 1 380.434 -1.446 20 0 GAADMN Cc1cc(NCCN(C)C(=O)[C@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027465 1075750221 /nfs/dbraw/zinc/75/02/21/1075750221.db2.gz SONNWLVAAGFKOC-JTQLQIEISA-N 0 1 382.450 -1.200 20 0 GAADMN Cc1cc(NCCN(C)C(=O)[C@@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027466 1075750183 /nfs/dbraw/zinc/75/01/83/1075750183.db2.gz SONNWLVAAGFKOC-SNVBAGLBSA-N 0 1 382.450 -1.200 20 0 GAADMN Cc1cc(NCC[C@H](C)NC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027723 1075750229 /nfs/dbraw/zinc/75/02/29/1075750229.db2.gz VXLWITTWOKCZLI-JTQLQIEISA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1cc(NCC[C@@H](C)NC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027724 1075750235 /nfs/dbraw/zinc/75/02/35/1075750235.db2.gz VXLWITTWOKCZLI-SNVBAGLBSA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1cc(NCCN(C)C(=O)CN2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028060 1075750261 /nfs/dbraw/zinc/75/02/61/1075750261.db2.gz DRBYQHQNNWXJEY-UHFFFAOYSA-N 0 1 387.448 -1.364 20 0 GAADMN Cc1cc(NCCN(C)C(=O)CS(=O)(=O)N(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028140 1075750179 /nfs/dbraw/zinc/75/01/79/1075750179.db2.gz ICJGNPCCUPFTHK-UHFFFAOYSA-N 0 1 382.450 -1.246 20 0 GAADMN Cc1cc(NCCN(C)C(=O)CCCS(N)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028197 1075750213 /nfs/dbraw/zinc/75/02/13/1075750213.db2.gz KUFIPVOPOZKHCH-UHFFFAOYSA-N 0 1 382.450 -1.069 20 0 GAADMN Cc1cc(NCCN(C)C(=O)CCNS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028216 1075750311 /nfs/dbraw/zinc/75/03/11/1075750311.db2.gz LQINVNBRKRRLOX-UHFFFAOYSA-N 0 1 382.450 -1.198 20 0 GAADMN Cc1cc(NCCN(C)C(=O)CCn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028285 1075750194 /nfs/dbraw/zinc/75/01/94/1075750194.db2.gz OQZSDKJOSXURFX-UHFFFAOYSA-N 0 1 386.420 -1.152 20 0 GAADMN Cc1cc(NCCN(C)C(=O)CN(C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028402 1075750169 /nfs/dbraw/zinc/75/01/69/1075750169.db2.gz VJBCWPFJJPKYQV-UHFFFAOYSA-N 0 1 382.450 -1.246 20 0 GAADMN Cc1cc(NCCN(C)C(=O)c2cn(C)c(=O)[nH]c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028435 1075750269 /nfs/dbraw/zinc/75/02/69/1075750269.db2.gz XQRQNVXNQSJOAY-UHFFFAOYSA-N 0 1 385.388 -1.025 20 0 GAADMN Cc1cc(NCCN(C)C(=O)CN2CCC(=O)NC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028444 1075750174 /nfs/dbraw/zinc/75/01/74/1075750174.db2.gz XZIBMEZMUFGASF-UHFFFAOYSA-N 0 1 387.404 -1.196 20 0 GAADMN Cc1nn(CC(=O)N(C)CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)c(=O)n1C ZINC001581028484 1075750283 /nfs/dbraw/zinc/75/02/83/1075750283.db2.gz ZZYGVHAODMYNSI-UHFFFAOYSA-N 0 1 386.420 -1.234 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028523 1075750201 /nfs/dbraw/zinc/75/02/01/1075750201.db2.gz CCGPAUPNSMBTFR-GFCCVEGCSA-N 0 1 388.432 -1.249 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@H]2CCC(=O)NC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028524 1075750572 /nfs/dbraw/zinc/75/05/72/1075750572.db2.gz CCGPAUPNSMBTFR-LBPRGKRZSA-N 0 1 388.432 -1.249 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@@H]2CCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028531 1075750646 /nfs/dbraw/zinc/75/06/46/1075750646.db2.gz CJOMPDNKHXXJSE-AWEZNQCLSA-N 0 1 388.432 -1.154 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@H]2CCC(=O)N2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028532 1075750622 /nfs/dbraw/zinc/75/06/22/1075750622.db2.gz CJOMPDNKHXXJSE-CQSZACIVSA-N 0 1 388.432 -1.154 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@@H]2COCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028554 1075750638 /nfs/dbraw/zinc/75/06/38/1075750638.db2.gz DGIUPZKCXJDJQO-AWEZNQCLSA-N 0 1 377.405 -1.360 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@H]2COCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028555 1075750500 /nfs/dbraw/zinc/75/05/00/1075750500.db2.gz DGIUPZKCXJDJQO-CQSZACIVSA-N 0 1 377.405 -1.360 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)CN2CCCC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028594 1075750629 /nfs/dbraw/zinc/75/06/29/1075750629.db2.gz GBSVSZPMCXSURI-UHFFFAOYSA-N 0 1 388.432 -1.153 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@H]2CC[C@H]2C(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028595 1075750662 /nfs/dbraw/zinc/75/06/62/1075750662.db2.gz GENKNPIJJRPPPG-NEPJUHHUSA-N 0 1 388.432 -1.264 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@@H]2CC[C@@H]2C(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028596 1075750474 /nfs/dbraw/zinc/75/04/74/1075750474.db2.gz GENKNPIJJRPPPG-NWDGAFQWSA-N 0 1 388.432 -1.264 20 0 GAADMN 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Cc1cc(NCCN(CCO)C(=O)c2c[nH]c(=O)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028654 1075750652 /nfs/dbraw/zinc/75/06/52/1075750652.db2.gz IGPPDFIKXNNKED-UHFFFAOYSA-N 0 1 385.388 -1.378 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)c2c[nH]c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028700 1075750483 /nfs/dbraw/zinc/75/04/83/1075750483.db2.gz JRCVUHOCHXPGLZ-UHFFFAOYSA-N 0 1 387.404 -1.022 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)CS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028765 1075750835 /nfs/dbraw/zinc/75/08/35/1075750835.db2.gz LAXSGNGSLZSODM-UHFFFAOYSA-N 0 1 383.434 -1.731 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@@H](C)CC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028838 1075750887 /nfs/dbraw/zinc/75/08/87/1075750887.db2.gz MDDKYUZGIZWBOE-JTQLQIEISA-N 0 1 376.421 -1.264 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@H](C)CC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028840 1075750878 /nfs/dbraw/zinc/75/08/78/1075750878.db2.gz MDDKYUZGIZWBOE-SNVBAGLBSA-N 0 1 376.421 -1.264 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)CNC(=O)C2CC2)c(-c2nnn[n-]2)c[nH+]1 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Cc1cc(NC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030876 1075751098 /nfs/dbraw/zinc/75/10/98/1075751098.db2.gz RWAXRIPHYAMCPR-SNVBAGLBSA-N 0 1 382.450 -1.200 20 0 GAADMN Cc1cc(NC[C@@H](C)NC(=O)CCNS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030881 1075751086 /nfs/dbraw/zinc/75/10/86/1075751086.db2.gz SCSUCWFIXOZHBJ-SNVBAGLBSA-N 0 1 382.450 -1.152 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)c(=O)n1C ZINC001581030906 1075751125 /nfs/dbraw/zinc/75/11/25/1075751125.db2.gz TXTPXGIKYYBTCB-SNVBAGLBSA-N 0 1 386.420 -1.188 20 0 GAADMN Cc1cc(NC[C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031011 1075751109 /nfs/dbraw/zinc/75/11/09/1075751109.db2.gz YGOTUZSIWONVLT-SNVBAGLBSA-N 0 1 385.388 -1.129 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)CCCS(N)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031719 1075751137 /nfs/dbraw/zinc/75/11/37/1075751137.db2.gz CWEOEEPYHWSVDK-JTQLQIEISA-N 0 1 382.450 -1.023 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)CN2CCC(=O)NC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031810 1075751088 /nfs/dbraw/zinc/75/10/88/1075751088.db2.gz IAZMGTVMULITJQ-JTQLQIEISA-N 0 1 387.404 -1.149 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)CN2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031876 1075751079 /nfs/dbraw/zinc/75/10/79/1075751079.db2.gz LBSUYUVOBNVFGD-LBPRGKRZSA-N 0 1 387.448 -1.317 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)CS(=O)(=O)N(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581032075 1075751092 /nfs/dbraw/zinc/75/10/92/1075751092.db2.gz QIYJOFXGZTUTNT-JTQLQIEISA-N 0 1 382.450 -1.200 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)CCn2ncn(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581032087 1075751103 /nfs/dbraw/zinc/75/11/03/1075751103.db2.gz QRVWBZXGLVQXLK-NSHDSACASA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)CN(C)S(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001581032107 1075751119 /nfs/dbraw/zinc/75/11/19/1075751119.db2.gz RWAXRIPHYAMCPR-JTQLQIEISA-N 0 1 382.450 -1.200 20 0 GAADMN 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Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581036011 1075751417 /nfs/dbraw/zinc/75/14/17/1075751417.db2.gz JAQVIBKBCUWQPO-CABZTGNLSA-N 0 1 385.388 -1.397 20 0 GAADMN Cc1cc(N[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581036034 1075751408 /nfs/dbraw/zinc/75/14/08/1075751408.db2.gz LOIZUEBGBUFJPR-LBPRGKRZSA-N 0 1 385.432 -1.563 20 0 GAADMN Cc1cc(N[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581036236 1075751399 /nfs/dbraw/zinc/75/13/99/1075751399.db2.gz GXFOVICDHCVJDM-NOZJJQNGSA-N 0 1 399.415 -1.197 20 0 GAADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581037616 1075751334 /nfs/dbraw/zinc/75/13/34/1075751334.db2.gz JXGXKQAQPCFXAN-JFGNBEQYSA-N 0 1 392.445 -1.257 20 0 GAADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581037617 1075751433 /nfs/dbraw/zinc/75/14/33/1075751433.db2.gz JXGXKQAQPCFXAN-UMNHJUIQSA-N 0 1 392.445 -1.257 20 0 GAADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038131 1075751270 /nfs/dbraw/zinc/75/12/70/1075751270.db2.gz DMSCOIDBMVJRAV-PHIMTYICSA-N 0 1 384.404 -1.353 20 0 GAADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038583 1075751391 /nfs/dbraw/zinc/75/13/91/1075751391.db2.gz RZDAAJUGMFOSMC-TXEJJXNPSA-N 0 1 385.432 -1.517 20 0 GAADMN Cc1cc(N[C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038873 1075751309 /nfs/dbraw/zinc/75/13/09/1075751309.db2.gz DMSCOIDBMVJRAV-XYPYZODXSA-N 0 1 384.404 -1.353 20 0 GAADMN Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581039107 1075751280 /nfs/dbraw/zinc/75/12/80/1075751280.db2.gz JXGXKQAQPCFXAN-CKYFFXLPSA-N 0 1 392.445 -1.257 20 0 GAADMN Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581039108 1075751426 /nfs/dbraw/zinc/75/14/26/1075751426.db2.gz JXGXKQAQPCFXAN-NHCYSSNCSA-N 0 1 392.445 -1.257 20 0 GAADMN Cc1cc(N[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581039294 1075751382 /nfs/dbraw/zinc/75/13/82/1075751382.db2.gz RZDAAJUGMFOSMC-HAQNSBGRSA-N 0 1 385.432 -1.517 20 0 GAADMN Cc1cc(N[C@H]2C[C@H](NC(=O)CN3CCOCC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581039356 1075751376 /nfs/dbraw/zinc/75/13/76/1075751376.db2.gz VGVNADDPBHCCED-HAQNSBGRSA-N 0 1 386.416 -1.090 20 0 GAADMN Cc1cc(OCC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001581040636 1075751297 /nfs/dbraw/zinc/75/12/97/1075751297.db2.gz ACCWSJWGWBQQES-UHFFFAOYSA-N 0 1 389.376 -1.313 20 0 GAADMN Cc1cc(OCC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001581040833 1075751326 /nfs/dbraw/zinc/75/13/26/1075751326.db2.gz DZBFVIHVHKGPJE-JTQLQIEISA-N 0 1 389.376 -1.315 20 0 GAADMN Cc1cc(OCC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001581040835 1075751458 /nfs/dbraw/zinc/75/14/58/1075751458.db2.gz DZBFVIHVHKGPJE-SNVBAGLBSA-N 0 1 389.376 -1.315 20 0 GAADMN Cc1cc(OCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)no1 ZINC001581043229 1075751670 /nfs/dbraw/zinc/75/16/70/1075751670.db2.gz ZAGIFNHWLOVTKQ-NXEZZACHSA-N 0 1 387.360 -1.302 20 0 GAADMN Cc1cc(OCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)no1 ZINC001581043230 1075751757 /nfs/dbraw/zinc/75/17/57/1075751757.db2.gz ZAGIFNHWLOVTKQ-ZJUUUORDSA-N 0 1 387.360 -1.302 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)n1 ZINC001581073865 1075752332 /nfs/dbraw/zinc/75/23/32/1075752332.db2.gz NWCVUYBEPOAUNU-NEPJUHHUSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@H](O)C2)n1 ZINC001581073866 1075752404 /nfs/dbraw/zinc/75/24/04/1075752404.db2.gz NWCVUYBEPOAUNU-NWDGAFQWSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)n1 ZINC001581073867 1075752418 /nfs/dbraw/zinc/75/24/18/1075752418.db2.gz NWCVUYBEPOAUNU-RYUDHWBXSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](NC(=O)Cc3nnc[nH]3)[C@H](O)C2)n1 ZINC001581073868 1075752408 /nfs/dbraw/zinc/75/24/08/1075752408.db2.gz NWCVUYBEPOAUNU-VXGBXAGGSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@](O)(CNC(=O)Cc3nnc[nH]3)C2)n1 ZINC001581075090 1075752602 /nfs/dbraw/zinc/75/26/02/1075752602.db2.gz XOAMAHGVEAFFPZ-INIZCTEOSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@](O)(CNC(=O)Cc3nnc[nH]3)C2)n1 ZINC001581075091 1075752679 /nfs/dbraw/zinc/75/26/79/1075752679.db2.gz XOAMAHGVEAFFPZ-MRXNPFEDSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)CCc3nc[nH]n3)C2)n1 ZINC001581083297 1075753393 /nfs/dbraw/zinc/75/33/93/1075753393.db2.gz ASCUOLADRAWMOS-VXGBXAGGSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)C3=NC(=O)N(C)C3)C2)n1 ZINC001581083708 1075753619 /nfs/dbraw/zinc/75/36/19/1075753619.db2.gz WYIALZCLIKKXIO-ZYHUDNBSSA-N 0 1 385.388 -1.011 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001581083714 1075753612 /nfs/dbraw/zinc/75/36/12/1075753612.db2.gz XJSJENNSDXXJAO-VXGBXAGGSA-N 0 1 384.404 -1.095 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)C3=NC(=O)N(C)C3)[C@@H](O)C2)n1 ZINC001581084692 1075754110 /nfs/dbraw/zinc/75/41/10/1075754110.db2.gz WYIALZCLIKKXIO-PWSUYJOCSA-N 0 1 385.388 -1.011 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001581084700 1075754084 /nfs/dbraw/zinc/75/40/84/1075754084.db2.gz XJSJENNSDXXJAO-NEPJUHHUSA-N 0 1 384.404 -1.095 20 0 GAADMN Cc1ccn(CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)c1 ZINC001581271996 1075757038 /nfs/dbraw/zinc/75/70/38/1075757038.db2.gz ANEQBKLOUQNQSY-LLVKDONJSA-N 0 1 385.388 -1.862 20 0 GAADMN Cc1ccn(CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)c1 ZINC001581271997 1075757082 /nfs/dbraw/zinc/75/70/82/1075757082.db2.gz ANEQBKLOUQNQSY-NSHDSACASA-N 0 1 385.388 -1.862 20 0 GAADMN Cc1ccn(CC(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)c(=O)c1 ZINC001581272097 1075756910 /nfs/dbraw/zinc/75/69/10/1075756910.db2.gz DDERGGIEEHBXSJ-GFCCVEGCSA-N 0 1 384.400 -1.257 20 0 GAADMN Cc1ccn(CC(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)c(=O)c1 ZINC001581272098 1075756841 /nfs/dbraw/zinc/75/68/41/1075756841.db2.gz DDERGGIEEHBXSJ-LBPRGKRZSA-N 0 1 384.400 -1.257 20 0 GAADMN Cc1ccn(C[C@H](C)C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581272279 1075756889 /nfs/dbraw/zinc/75/68/89/1075756889.db2.gz ITBBYQVZANUGDT-CMPLNLGQSA-N 0 1 386.420 -1.191 20 0 GAADMN Cc1ccn(C[C@H](C)C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581272280 1075757056 /nfs/dbraw/zinc/75/70/56/1075757056.db2.gz ITBBYQVZANUGDT-JQWIXIFHSA-N 0 1 386.420 -1.191 20 0 GAADMN Cc1ccn(C[C@@H](C)C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581272281 1075756950 /nfs/dbraw/zinc/75/69/50/1075756950.db2.gz ITBBYQVZANUGDT-PWSUYJOCSA-N 0 1 386.420 -1.191 20 0 GAADMN Cc1ccn(C[C@@H](C)C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581272282 1075756863 /nfs/dbraw/zinc/75/68/63/1075756863.db2.gz ITBBYQVZANUGDT-ZYHUDNBSSA-N 0 1 386.420 -1.191 20 0 GAADMN Cc1ccn(CC(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)c(=O)c1 ZINC001581272412 1075756919 /nfs/dbraw/zinc/75/69/19/1075756919.db2.gz MVMALKNTPRJNOC-GFCCVEGCSA-N 0 1 384.400 -1.257 20 0 GAADMN Cc1ccn(CC(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)c(=O)c1 ZINC001581272413 1075757065 /nfs/dbraw/zinc/75/70/65/1075757065.db2.gz MVMALKNTPRJNOC-LBPRGKRZSA-N 0 1 384.400 -1.257 20 0 GAADMN Cc1ccn(CC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(=O)c1 ZINC001581272538 1075757307 /nfs/dbraw/zinc/75/73/07/1075757307.db2.gz OSWCEXYIRHNEKX-LLVKDONJSA-N 0 1 385.388 -1.862 20 0 GAADMN Cc1ccn(CC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(=O)c1 ZINC001581272540 1075757428 /nfs/dbraw/zinc/75/74/28/1075757428.db2.gz OSWCEXYIRHNEKX-NSHDSACASA-N 0 1 385.388 -1.862 20 0 GAADMN Cc1ccnn1CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581296634 1075758475 /nfs/dbraw/zinc/75/84/75/1075758475.db2.gz IIAVFOMPBUPXJA-INIZCTEOSA-N 0 1 384.404 -1.081 20 0 GAADMN Cc1ccnn1CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581296638 1075758444 /nfs/dbraw/zinc/75/84/44/1075758444.db2.gz IIAVFOMPBUPXJA-MRXNPFEDSA-N 0 1 384.404 -1.081 20 0 GAADMN Cc1cnn(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 ZINC001581347494 1075760696 /nfs/dbraw/zinc/76/06/96/1075760696.db2.gz MKWZXJHIHFTESQ-NEPJUHHUSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cnn(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c1 ZINC001581347495 1075760772 /nfs/dbraw/zinc/76/07/72/1075760772.db2.gz MKWZXJHIHFTESQ-NWDGAFQWSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cnn(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 ZINC001581347496 1075760761 /nfs/dbraw/zinc/76/07/61/1075760761.db2.gz MKWZXJHIHFTESQ-RYUDHWBXSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cnn(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c1 ZINC001581347498 1075760785 /nfs/dbraw/zinc/76/07/85/1075760785.db2.gz MKWZXJHIHFTESQ-VXGBXAGGSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cnn(CC(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001581347999 1075761178 /nfs/dbraw/zinc/76/11/78/1075761178.db2.gz SOOPRGWRTBJJBZ-INIZCTEOSA-N 0 1 384.404 -1.081 20 0 GAADMN Cc1cnn(CC(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001581348000 1075761193 /nfs/dbraw/zinc/76/11/93/1075761193.db2.gz SOOPRGWRTBJJBZ-MRXNPFEDSA-N 0 1 384.404 -1.081 20 0 GAADMN Cc1cnn(CCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 ZINC001581351066 1075761995 /nfs/dbraw/zinc/76/19/95/1075761995.db2.gz XJEOTGUYBHCVME-NEPJUHHUSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cnn(CCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c1 ZINC001581351067 1075761802 /nfs/dbraw/zinc/76/18/02/1075761802.db2.gz XJEOTGUYBHCVME-VXGBXAGGSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581393555 1075761925 /nfs/dbraw/zinc/76/19/25/1075761925.db2.gz QXPUSVSWBWMTEB-LLVKDONJSA-N 0 1 386.420 -1.108 20 0 GAADMN Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581393556 1075761962 /nfs/dbraw/zinc/76/19/62/1075761962.db2.gz QXPUSVSWBWMTEB-NSHDSACASA-N 0 1 386.420 -1.108 20 0 GAADMN Cc1n[nH]c(C)c1CCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581395177 1075761969 /nfs/dbraw/zinc/76/19/69/1075761969.db2.gz NBSQPRWCOCFSFH-LLVKDONJSA-N 0 1 386.420 -1.060 20 0 GAADMN Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581395178 1075761879 /nfs/dbraw/zinc/76/18/79/1075761879.db2.gz NBSQPRWCOCFSFH-NSHDSACASA-N 0 1 386.420 -1.060 20 0 GAADMN Cc1n[nH]c(C)c1CCC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581395180 1075761980 /nfs/dbraw/zinc/76/19/80/1075761980.db2.gz NCUYXDXXSSYVHB-LLVKDONJSA-N 0 1 386.420 -1.060 20 0 GAADMN Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581395181 1075761824 /nfs/dbraw/zinc/76/18/24/1075761824.db2.gz NCUYXDXXSSYVHB-NSHDSACASA-N 0 1 386.420 -1.060 20 0 GAADMN Cc1nnc(CC(=O)N(C)C[C@@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)[nH]1 ZINC001581395945 1075762229 /nfs/dbraw/zinc/76/22/29/1075762229.db2.gz RLPOOXYULUUZFC-JTQLQIEISA-N 0 1 387.408 -1.419 20 0 GAADMN Cc1nnc(CC(=O)N(C)C[C@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)[nH]1 ZINC001581395946 1075762222 /nfs/dbraw/zinc/76/22/22/1075762222.db2.gz RLPOOXYULUUZFC-SNVBAGLBSA-N 0 1 387.408 -1.419 20 0 GAADMN Cc1nc(CC(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001581397077 1075762200 /nfs/dbraw/zinc/76/22/00/1075762200.db2.gz BMAVAQPYZNHCOX-INIZCTEOSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1nc(CC(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001581397080 1075762152 /nfs/dbraw/zinc/76/21/52/1075762152.db2.gz BMAVAQPYZNHCOX-MRXNPFEDSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)n[nH]1 ZINC001581397111 1075762165 /nfs/dbraw/zinc/76/21/65/1075762165.db2.gz BVKWZPHDEDQIOG-NEPJUHHUSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)n[nH]1 ZINC001581397113 1075762173 /nfs/dbraw/zinc/76/21/73/1075762173.db2.gz BVKWZPHDEDQIOG-NWDGAFQWSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)n[nH]1 ZINC001581397116 1075762178 /nfs/dbraw/zinc/76/21/78/1075762178.db2.gz BVKWZPHDEDQIOG-RYUDHWBXSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)n[nH]1 ZINC001581397118 1075762158 /nfs/dbraw/zinc/76/21/58/1075762158.db2.gz BVKWZPHDEDQIOG-VXGBXAGGSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001581397647 1075762550 /nfs/dbraw/zinc/76/25/50/1075762550.db2.gz HKJCEXNRNQRVSW-NEPJUHHUSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001581397649 1075762629 /nfs/dbraw/zinc/76/26/29/1075762629.db2.gz HKJCEXNRNQRVSW-NWDGAFQWSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001581397652 1075762706 /nfs/dbraw/zinc/76/27/06/1075762706.db2.gz HKJCEXNRNQRVSW-RYUDHWBXSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001581397654 1075762512 /nfs/dbraw/zinc/76/25/12/1075762512.db2.gz HKJCEXNRNQRVSW-VXGBXAGGSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001581397867 1075762588 /nfs/dbraw/zinc/76/25/88/1075762588.db2.gz ISOGSIAMPUKYSO-INIZCTEOSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1nc(CC(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001581397868 1075762480 /nfs/dbraw/zinc/76/24/80/1075762480.db2.gz ISOGSIAMPUKYSO-MRXNPFEDSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1nc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)n[nH]1 ZINC001581398483 1075762955 /nfs/dbraw/zinc/76/29/55/1075762955.db2.gz SGOIEGKFMPNXJN-AAEUAGOBSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)n[nH]1 ZINC001581398484 1075763079 /nfs/dbraw/zinc/76/30/79/1075763079.db2.gz SGOIEGKFMPNXJN-DGCLKSJQSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)n[nH]1 ZINC001581398485 1075762994 /nfs/dbraw/zinc/76/29/94/1075762994.db2.gz SGOIEGKFMPNXJN-WCQYABFASA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)n[nH]1 ZINC001581398486 1075762890 /nfs/dbraw/zinc/76/28/90/1075762890.db2.gz SGOIEGKFMPNXJN-YPMHNXCESA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(CC(=O)NC[C@@H](O)CNc2ncc(-c3nn[nH]n3)cc2F)n[nH]1 ZINC001581398637 1075762851 /nfs/dbraw/zinc/76/28/51/1075762851.db2.gz VHYFETXXGCUCOU-SECBINFHSA-N 0 1 376.356 -1.041 20 0 GAADMN Cc1nc(CC(=O)NC[C@H](O)CNc2ncc(-c3nn[nH]n3)cc2F)n[nH]1 ZINC001581398645 1075763069 /nfs/dbraw/zinc/76/30/69/1075763069.db2.gz VHYFETXXGCUCOU-VIFPVBQESA-N 0 1 376.356 -1.041 20 0 GAADMN Cc1nc(CC(=O)NC[C@@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001581398750 1075762904 /nfs/dbraw/zinc/76/29/04/1075762904.db2.gz XZDFQJXTYOVPRC-INIZCTEOSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1nc(CC(=O)NC[C@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001581398751 1075762838 /nfs/dbraw/zinc/76/28/38/1075762838.db2.gz XZDFQJXTYOVPRC-MRXNPFEDSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001581398820 1075763038 /nfs/dbraw/zinc/76/30/38/1075763038.db2.gz ARTFAVQMLXMEHL-BDAKNGLRSA-N 0 1 390.433 -1.033 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001581398821 1075762981 /nfs/dbraw/zinc/76/29/81/1075762981.db2.gz ARTFAVQMLXMEHL-RKDXNWHRSA-N 0 1 390.433 -1.033 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)c(C)n3)C[C@@H]2O)n[nH]1 ZINC001581399031 1075762941 /nfs/dbraw/zinc/76/29/41/1075762941.db2.gz NRPVHCKITKUEHZ-NEPJUHHUSA-N 0 1 384.404 -1.095 20 0 GAADMN Cc1nc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)c(C)n3)C[C@H]2O)n[nH]1 ZINC001581399032 1075763379 /nfs/dbraw/zinc/76/33/79/1075763379.db2.gz NRPVHCKITKUEHZ-VXGBXAGGSA-N 0 1 384.404 -1.095 20 0 GAADMN Cc1[nH]nc(Cl)c1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581401219 1075763214 /nfs/dbraw/zinc/76/32/14/1075763214.db2.gz DICZEOHAECEZOI-SSDOTTSWSA-N 0 1 378.784 -1.034 20 0 GAADMN Cc1[nH]nc(Cl)c1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581401220 1075763200 /nfs/dbraw/zinc/76/32/00/1075763200.db2.gz DICZEOHAECEZOI-ZETCQYMHSA-N 0 1 378.784 -1.034 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581405516 1075763225 /nfs/dbraw/zinc/76/32/25/1075763225.db2.gz FBSNCNWHMDRBAE-JTQLQIEISA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581405517 1075763179 /nfs/dbraw/zinc/76/31/79/1075763179.db2.gz FBSNCNWHMDRBAE-SNVBAGLBSA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581405670 1075763239 /nfs/dbraw/zinc/76/32/39/1075763239.db2.gz JQTJHRANTYOAEZ-JTQLQIEISA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581405671 1075763362 /nfs/dbraw/zinc/76/33/62/1075763362.db2.gz JQTJHRANTYOAEZ-SNVBAGLBSA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1n[nH]nc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581405688 1075763425 /nfs/dbraw/zinc/76/34/25/1075763425.db2.gz KBTUALURTANZOT-PSASIEDQSA-N 0 1 385.392 -1.153 20 0 GAADMN Cc1n[nH]nc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581405689 1075763337 /nfs/dbraw/zinc/76/33/37/1075763337.db2.gz KBTUALURTANZOT-SCZZXKLOSA-N 0 1 385.392 -1.153 20 0 GAADMN Cc1n[nH]nc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581405690 1075763353 /nfs/dbraw/zinc/76/33/53/1075763353.db2.gz KBTUALURTANZOT-WCBMZHEXSA-N 0 1 385.392 -1.153 20 0 GAADMN Cc1n[nH]nc1C(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581405691 1075763322 /nfs/dbraw/zinc/76/33/22/1075763322.db2.gz KBTUALURTANZOT-WPRPVWTQSA-N 0 1 385.392 -1.153 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581405746 1075763392 /nfs/dbraw/zinc/76/33/92/1075763392.db2.gz LWFULIJLBGVTCG-SECBINFHSA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581405747 1075763407 /nfs/dbraw/zinc/76/34/07/1075763407.db2.gz LWFULIJLBGVTCG-VIFPVBQESA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581405795 1075763263 /nfs/dbraw/zinc/76/32/63/1075763263.db2.gz NTQUSXWMEKJDQN-JTQLQIEISA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581405796 1075763271 /nfs/dbraw/zinc/76/32/71/1075763271.db2.gz NTQUSXWMEKJDQN-SNVBAGLBSA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581405821 1075763252 /nfs/dbraw/zinc/76/32/52/1075763252.db2.gz OPYSGTZMJTZTQC-SECBINFHSA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581405822 1075763303 /nfs/dbraw/zinc/76/33/03/1075763303.db2.gz OPYSGTZMJTZTQC-VIFPVBQESA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3C[C@H](O)C[C@H]3C(N)=O)CC2)o1 ZINC001581410662 1075763762 /nfs/dbraw/zinc/76/37/62/1075763762.db2.gz QFZGBYSBQPLAGA-MNOVXSKESA-N 0 1 390.404 -1.173 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCC[C@@H]3C(N)=O)CC2)o1 ZINC001581411016 1075763697 /nfs/dbraw/zinc/76/36/97/1075763697.db2.gz HRYPCKNJOPMOAH-LLVKDONJSA-N 0 1 389.420 -1.239 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC[C@@H](O)[C@@H](O)C3)CC2)o1 ZINC001581411140 1075763961 /nfs/dbraw/zinc/76/39/61/1075763961.db2.gz MXGVRZGZLFUEBF-NEPJUHHUSA-N 0 1 392.420 -1.761 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3NC(=O)C[C@H]3C)CC2)o1 ZINC001581411356 1075764130 /nfs/dbraw/zinc/76/41/30/1075764130.db2.gz WWHBCZJTJCNXPI-SECBINFHSA-N 0 1 375.393 -1.063 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3NC(=O)C[C@@H]3C)CC2)o1 ZINC001581411357 1075764021 /nfs/dbraw/zinc/76/40/21/1075764021.db2.gz WWHBCZJTJCNXPI-VIFPVBQESA-N 0 1 375.393 -1.063 20 0 GAADMN Cc1nc(CC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001581449477 1075763999 /nfs/dbraw/zinc/76/39/99/1075763999.db2.gz PDCWIDJRUSBHLB-JTQLQIEISA-N 0 1 375.418 -1.025 20 0 GAADMN Cc1nc(CC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001581449478 1075763928 /nfs/dbraw/zinc/76/39/28/1075763928.db2.gz PDCWIDJRUSBHLB-SNVBAGLBSA-N 0 1 375.418 -1.025 20 0 GAADMN Cc1nc(CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001581449855 1075764104 /nfs/dbraw/zinc/76/41/04/1075764104.db2.gz XOLVONOLRAYAJN-JTQLQIEISA-N 0 1 375.418 -1.025 20 0 GAADMN Cc1nc(CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001581449856 1075764158 /nfs/dbraw/zinc/76/41/58/1075764158.db2.gz XOLVONOLRAYAJN-SNVBAGLBSA-N 0 1 375.418 -1.025 20 0 GAADMN Cc1nc(N2CC[C@@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581470751 1075764924 /nfs/dbraw/zinc/76/49/24/1075764924.db2.gz KCFSJBGNTAZIPX-NEPJUHHUSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(N2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581470752 1075764746 /nfs/dbraw/zinc/76/47/46/1075764746.db2.gz KCFSJBGNTAZIPX-NWDGAFQWSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(N2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581470753 1075764774 /nfs/dbraw/zinc/76/47/74/1075764774.db2.gz KCFSJBGNTAZIPX-RYUDHWBXSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(N2CC[C@@H](NC(=O)Cc3nnc[nH]3)[C@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581470754 1075764919 /nfs/dbraw/zinc/76/49/19/1075764919.db2.gz KCFSJBGNTAZIPX-VXGBXAGGSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CCc3c[nH]nn3)C2)ccc1-c1nn[nH]n1 ZINC001581483009 1075766298 /nfs/dbraw/zinc/76/62/98/1075766298.db2.gz FSRPXMCHSLHKEC-CHWSQXEVSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CCc3nc[nH]n3)C2)ccc1-c1nn[nH]n1 ZINC001581483210 1075766379 /nfs/dbraw/zinc/76/63/79/1075766379.db2.gz PFQPJONFOWDOOD-VXGBXAGGSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(N2C[C@@H](NC(=O)CCc3c[nH]nn3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581483521 1075766273 /nfs/dbraw/zinc/76/62/73/1075766273.db2.gz FSRPXMCHSLHKEC-OLZOCXBDSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(N2C[C@@H](NC(=O)CCc3nc[nH]n3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581483726 1075766741 /nfs/dbraw/zinc/76/67/41/1075766741.db2.gz PFQPJONFOWDOOD-NEPJUHHUSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nc(N2C[C@@H](NC(=O)C3=NC(=O)N(C)C3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581485163 1075767102 /nfs/dbraw/zinc/76/71/02/1075767102.db2.gz VGWIERUIHFYRHB-PWSUYJOCSA-N 0 1 385.388 -1.011 20 0 GAADMN Cc1nccc(CCC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581556051 1075769075 /nfs/dbraw/zinc/76/90/75/1075769075.db2.gz BDAGUOJJICVFQY-GFCCVEGCSA-N 0 1 384.404 -1.301 20 0 GAADMN Cc1nccc(CCC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581556052 1075769036 /nfs/dbraw/zinc/76/90/36/1075769036.db2.gz BDAGUOJJICVFQY-LBPRGKRZSA-N 0 1 384.404 -1.301 20 0 GAADMN Cc1nccc(CCC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581556580 1075768952 /nfs/dbraw/zinc/76/89/52/1075768952.db2.gz WNIPTMLWQDJEET-GFCCVEGCSA-N 0 1 384.404 -1.301 20 0 GAADMN Cc1nccc(CCC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581556581 1075768906 /nfs/dbraw/zinc/76/89/06/1075768906.db2.gz WNIPTMLWQDJEET-LBPRGKRZSA-N 0 1 384.404 -1.301 20 0 GAADMN Cc1nn(C)c(=O)c(C(=O)N(C)CCNc2ccnc(-c3nn[nH]n3)n2)c1C ZINC001581588685 1075770583 /nfs/dbraw/zinc/77/05/83/1075770583.db2.gz KZQYUHNGCDPVHQ-UHFFFAOYSA-N 0 1 384.404 -1.027 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581589374 1075770631 /nfs/dbraw/zinc/77/06/31/1075770631.db2.gz LCOCFOMOBMGOEX-GHMZBOCLSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nn(C)c(C)c1CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581590636 1075770646 /nfs/dbraw/zinc/77/06/46/1075770646.db2.gz HUXVGAMVKLJUGA-LLVKDONJSA-N 0 1 386.420 -1.439 20 0 GAADMN Cc1nn(C)c(C)c1CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581590637 1075770748 /nfs/dbraw/zinc/77/07/48/1075770748.db2.gz HUXVGAMVKLJUGA-NSHDSACASA-N 0 1 386.420 -1.439 20 0 GAADMN Cc1nn(C)c(C)c1CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581590761 1075770659 /nfs/dbraw/zinc/77/06/59/1075770659.db2.gz MJYIMIJGHQVWIO-LLVKDONJSA-N 0 1 386.420 -1.439 20 0 GAADMN Cc1nn(C)c(C)c1CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581590762 1075770785 /nfs/dbraw/zinc/77/07/85/1075770785.db2.gz MJYIMIJGHQVWIO-NSHDSACASA-N 0 1 386.420 -1.439 20 0 GAADMN Cc1nn(C)c(Cl)c1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581590875 1075770791 /nfs/dbraw/zinc/77/07/91/1075770791.db2.gz RCQZMRNYKYHXOY-MRVPVSSYSA-N 0 1 392.811 -1.023 20 0 GAADMN Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581590876 1075770739 /nfs/dbraw/zinc/77/07/39/1075770739.db2.gz RCQZMRNYKYHXOY-QMMMGPOBSA-N 0 1 392.811 -1.023 20 0 GAADMN Cc1nn(C)c(Cl)c1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581590930 1075770729 /nfs/dbraw/zinc/77/07/29/1075770729.db2.gz UHKITAFJUNVNTF-MRVPVSSYSA-N 0 1 392.811 -1.023 20 0 GAADMN Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581590931 1075770597 /nfs/dbraw/zinc/77/05/97/1075770597.db2.gz UHKITAFJUNVNTF-QMMMGPOBSA-N 0 1 392.811 -1.023 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581591112 1075770619 /nfs/dbraw/zinc/77/06/19/1075770619.db2.gz AAUVXBQGIIRTOR-UHFFFAOYSA-N 0 1 390.383 -1.194 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581591646 1075771013 /nfs/dbraw/zinc/77/10/13/1075771013.db2.gz VWDXPUPSCPMSCW-SECBINFHSA-N 0 1 390.383 -1.195 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581591647 1075770949 /nfs/dbraw/zinc/77/09/49/1075770949.db2.gz VWDXPUPSCPMSCW-VIFPVBQESA-N 0 1 390.383 -1.195 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581592489 1075771296 /nfs/dbraw/zinc/77/12/96/1075771296.db2.gz OBLMODUEMYBDMQ-MRVPVSSYSA-N 0 1 376.356 -1.538 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581592490 1075771390 /nfs/dbraw/zinc/77/13/90/1075771390.db2.gz OBLMODUEMYBDMQ-QMMMGPOBSA-N 0 1 376.356 -1.538 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581592529 1075771328 /nfs/dbraw/zinc/77/13/28/1075771328.db2.gz PJWCSCQWORLPGC-BDAKNGLRSA-N 0 1 388.367 -1.183 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581592530 1075771484 /nfs/dbraw/zinc/77/14/84/1075771484.db2.gz PJWCSCQWORLPGC-RKDXNWHRSA-N 0 1 388.367 -1.183 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581595688 1075771342 /nfs/dbraw/zinc/77/13/42/1075771342.db2.gz NRMIFRVHAFCKAT-LLVKDONJSA-N 0 1 386.420 -1.026 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581595689 1075771362 /nfs/dbraw/zinc/77/13/62/1075771362.db2.gz NRMIFRVHAFCKAT-NSHDSACASA-N 0 1 386.420 -1.026 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581595716 1075771515 /nfs/dbraw/zinc/77/15/15/1075771515.db2.gz ONZCPROHKWKESE-UHFFFAOYSA-N 0 1 386.420 -1.024 20 0 GAADMN Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581600370 1075771807 /nfs/dbraw/zinc/77/18/07/1075771807.db2.gz QGVXSNAYIZTUFX-GFCCVEGCSA-N 0 1 386.420 -1.406 20 0 GAADMN Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581600371 1075771747 /nfs/dbraw/zinc/77/17/47/1075771747.db2.gz QGVXSNAYIZTUFX-LBPRGKRZSA-N 0 1 386.420 -1.406 20 0 GAADMN Cc1nn(C)cc1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581601142 1075771735 /nfs/dbraw/zinc/77/17/35/1075771735.db2.gz QIFPEYSRJVQECZ-NEPJUHHUSA-N 0 1 384.404 -1.393 20 0 GAADMN Cc1nn(C)cc1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581601143 1075772213 /nfs/dbraw/zinc/77/22/13/1075772213.db2.gz QIFPEYSRJVQECZ-VXGBXAGGSA-N 0 1 384.404 -1.393 20 0 GAADMN Cc1nn(C)cc1CCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581601813 1075772202 /nfs/dbraw/zinc/77/22/02/1075772202.db2.gz LXHQWBAUALPBJP-GFCCVEGCSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1nn(C)cc1CCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581601814 1075772135 /nfs/dbraw/zinc/77/21/35/1075772135.db2.gz LXHQWBAUALPBJP-LBPRGKRZSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1nn(C)cc1CCC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581602193 1075772238 /nfs/dbraw/zinc/77/22/38/1075772238.db2.gz ZQVBTYSUKJMVQS-GFCCVEGCSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1nn(C)cc1CCC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581602194 1075772251 /nfs/dbraw/zinc/77/22/51/1075772251.db2.gz ZQVBTYSUKJMVQS-LBPRGKRZSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1nn(CC(=O)N(C)C[C@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581602957 1075772049 /nfs/dbraw/zinc/77/20/49/1075772049.db2.gz ANMSFOSBJRZYTN-JTQLQIEISA-N 0 1 386.420 -1.154 20 0 GAADMN Cc1nn(CC(=O)N(C)C[C@@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581602958 1075772110 /nfs/dbraw/zinc/77/21/10/1075772110.db2.gz ANMSFOSBJRZYTN-SNVBAGLBSA-N 0 1 386.420 -1.154 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581602982 1075772388 /nfs/dbraw/zinc/77/23/88/1075772388.db2.gz BVFMTVOYQRULMC-JTQLQIEISA-N 0 1 388.392 -2.524 20 0 GAADMN Cc1nn(CC(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581602983 1075772433 /nfs/dbraw/zinc/77/24/33/1075772433.db2.gz BVFMTVOYQRULMC-SNVBAGLBSA-N 0 1 388.392 -2.524 20 0 GAADMN Cc1nn(CC(=O)N(C)[C@@H](C)CNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581602990 1075772413 /nfs/dbraw/zinc/77/24/13/1075772413.db2.gz BWRIGGXSUSNFCK-JTQLQIEISA-N 0 1 386.420 -1.154 20 0 GAADMN Cc1nn(CC(=O)N(C)[C@H](C)CNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581602991 1075772534 /nfs/dbraw/zinc/77/25/34/1075772534.db2.gz BWRIGGXSUSNFCK-SNVBAGLBSA-N 0 1 386.420 -1.154 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)CN(C)c2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581602995 1075772409 /nfs/dbraw/zinc/77/24/09/1075772409.db2.gz CBYXIJNXPUZWMX-SECBINFHSA-N 0 1 387.408 -1.499 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)CN(C)c2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581602996 1075772566 /nfs/dbraw/zinc/77/25/66/1075772566.db2.gz CBYXIJNXPUZWMX-VIFPVBQESA-N 0 1 387.408 -1.499 20 0 GAADMN Cc1nn(CC(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603017 1075772486 /nfs/dbraw/zinc/77/24/86/1075772486.db2.gz DBLXZKMBFDNFIC-SECBINFHSA-N 0 1 387.408 -1.759 20 0 GAADMN Cc1nn(CC(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603018 1075772427 /nfs/dbraw/zinc/77/24/27/1075772427.db2.gz DBLXZKMBFDNFIC-VIFPVBQESA-N 0 1 387.408 -1.759 20 0 GAADMN Cc1nn(CC(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603056 1075772732 /nfs/dbraw/zinc/77/27/32/1075772732.db2.gz GCCYFNXDAHOXNI-JTQLQIEISA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1nn(CC(=O)NCC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603057 1075772766 /nfs/dbraw/zinc/77/27/66/1075772766.db2.gz GCCYFNXDAHOXNI-SNVBAGLBSA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603105 1075773345 /nfs/dbraw/zinc/77/33/45/1075773345.db2.gz IDEYUGRVINNKDU-JTQLQIEISA-N 0 1 386.420 -1.248 20 0 GAADMN Cc1nn(CC(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603106 1075773102 /nfs/dbraw/zinc/77/31/02/1075773102.db2.gz IDEYUGRVINNKDU-SNVBAGLBSA-N 0 1 386.420 -1.248 20 0 GAADMN Cc1nn(CC(=O)NCC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603165 1075773280 /nfs/dbraw/zinc/77/32/80/1075773280.db2.gz KWEROIGWELVDHD-SECBINFHSA-N 0 1 387.408 -1.711 20 0 GAADMN Cc1nn(CC(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603166 1075773215 /nfs/dbraw/zinc/77/32/15/1075773215.db2.gz KWEROIGWELVDHD-VIFPVBQESA-N 0 1 387.408 -1.711 20 0 GAADMN Cc1nn(CC(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)c(=O)n1C ZINC001581603167 1075773321 /nfs/dbraw/zinc/77/33/21/1075773321.db2.gz KWXFLUINGBXHMO-UHFFFAOYSA-N 0 1 384.404 -1.352 20 0 GAADMN Cc1nn(CC(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603181 1075773175 /nfs/dbraw/zinc/77/31/75/1075773175.db2.gz LUAXVMPIWJHWAR-SECBINFHSA-N 0 1 387.408 -1.759 20 0 GAADMN Cc1nn(CC(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603182 1075773203 /nfs/dbraw/zinc/77/32/03/1075773203.db2.gz LUAXVMPIWJHWAR-VIFPVBQESA-N 0 1 387.408 -1.759 20 0 GAADMN Cc1nn(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(=O)n1C ZINC001581603213 1075773786 /nfs/dbraw/zinc/77/37/86/1075773786.db2.gz MSGFSUSCEHMQQQ-JTQLQIEISA-N 0 1 385.392 -2.005 20 0 GAADMN Cc1nn(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(=O)n1C ZINC001581603214 1075773621 /nfs/dbraw/zinc/77/36/21/1075773621.db2.gz MSGFSUSCEHMQQQ-SNVBAGLBSA-N 0 1 385.392 -2.005 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603242 1075773720 /nfs/dbraw/zinc/77/37/20/1075773720.db2.gz NXBXLMYJUZRBTD-SECBINFHSA-N 0 1 387.408 -1.711 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)CCNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603243 1075773550 /nfs/dbraw/zinc/77/35/50/1075773550.db2.gz NXBXLMYJUZRBTD-VIFPVBQESA-N 0 1 387.408 -1.711 20 0 GAADMN Cc1nn(CC(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603253 1075774105 /nfs/dbraw/zinc/77/41/05/1075774105.db2.gz ODVJQNVQTJPEDK-UHFFFAOYSA-N 0 1 387.408 -1.545 20 0 GAADMN Cc1nn(CC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(=O)n1C ZINC001581603288 1075774147 /nfs/dbraw/zinc/77/41/47/1075774147.db2.gz PUHYUSIZBIRRNZ-LLVKDONJSA-N 0 1 384.404 -1.400 20 0 GAADMN Cc1nn(CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c(=O)n1C ZINC001581603289 1075774097 /nfs/dbraw/zinc/77/40/97/1075774097.db2.gz PUHYUSIZBIRRNZ-NSHDSACASA-N 0 1 384.404 -1.400 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603299 1075773913 /nfs/dbraw/zinc/77/39/13/1075773913.db2.gz QJGYKSJHNJRIFQ-JTQLQIEISA-N 0 1 388.392 -2.524 20 0 GAADMN Cc1nn(CC(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603300 1075774111 /nfs/dbraw/zinc/77/41/11/1075774111.db2.gz QJGYKSJHNJRIFQ-SNVBAGLBSA-N 0 1 388.392 -2.524 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(=O)n1C ZINC001581603334 1075774457 /nfs/dbraw/zinc/77/44/57/1075774457.db2.gz RJJCTMYANPIZIK-JTQLQIEISA-N 0 1 385.392 -1.745 20 0 GAADMN Cc1nn(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(=O)n1C ZINC001581603335 1075774441 /nfs/dbraw/zinc/77/44/41/1075774441.db2.gz RJJCTMYANPIZIK-SNVBAGLBSA-N 0 1 385.392 -1.745 20 0 GAADMN Cc1nn(CC(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603355 1075774403 /nfs/dbraw/zinc/77/44/03/1075774403.db2.gz SOCCAOGIQULRDJ-SECBINFHSA-N 0 1 387.408 -1.499 20 0 GAADMN Cc1nn(CC(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603356 1075774362 /nfs/dbraw/zinc/77/43/62/1075774362.db2.gz SOCCAOGIQULRDJ-VIFPVBQESA-N 0 1 387.408 -1.499 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(=O)n1C ZINC001581603369 1075774446 /nfs/dbraw/zinc/77/44/46/1075774446.db2.gz SUXMBDSHNXGKSN-PHIMTYICSA-N 0 1 384.404 -1.353 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)[C@@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603431 1075774840 /nfs/dbraw/zinc/77/48/40/1075774840.db2.gz VOWFDYSNDCMFEP-NXEZZACHSA-N 0 1 386.420 -1.107 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)[C@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603432 1075774712 /nfs/dbraw/zinc/77/47/12/1075774712.db2.gz VOWFDYSNDCMFEP-UWVGGRQHSA-N 0 1 386.420 -1.107 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)[C@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603433 1075774895 /nfs/dbraw/zinc/77/48/95/1075774895.db2.gz VOWFDYSNDCMFEP-VHSXEESVSA-N 0 1 386.420 -1.107 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)[C@@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001581603434 1075774782 /nfs/dbraw/zinc/77/47/82/1075774782.db2.gz VOWFDYSNDCMFEP-ZJUUUORDSA-N 0 1 386.420 -1.107 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603454 1075774886 /nfs/dbraw/zinc/77/48/86/1075774886.db2.gz WJUADPQUDNTLPX-BDAKNGLRSA-N 0 1 387.408 -1.712 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603455 1075774867 /nfs/dbraw/zinc/77/48/67/1075774867.db2.gz WJUADPQUDNTLPX-DTWKUNHWSA-N 0 1 387.408 -1.712 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603456 1075774700 /nfs/dbraw/zinc/77/47/00/1075774700.db2.gz WJUADPQUDNTLPX-IUCAKERBSA-N 0 1 387.408 -1.712 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603457 1075775224 /nfs/dbraw/zinc/77/52/24/1075775224.db2.gz WJUADPQUDNTLPX-RKDXNWHRSA-N 0 1 387.408 -1.712 20 0 GAADMN Cc1nn(CC(=O)NC/C=C\CNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603474 1075775298 /nfs/dbraw/zinc/77/52/98/1075775298.db2.gz XCQHAWQFVPAMHC-ARJAWSKDSA-N 0 1 385.392 -1.933 20 0 GAADMN Cc1nn(CC(=O)NC/C=C/CNc2ccnc(-c3nn[nH]n3)n2)c(=O)n1C ZINC001581603475 1075775215 /nfs/dbraw/zinc/77/52/15/1075775215.db2.gz XCQHAWQFVPAMHC-ONEGZZNKSA-N 0 1 385.392 -1.933 20 0 GAADMN Cc1nn(CC(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)c(=O)n1C ZINC001581603498 1075775166 /nfs/dbraw/zinc/77/51/66/1075775166.db2.gz YLUZKNNCFVONIA-UHFFFAOYSA-N 0 1 385.392 -1.957 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(=O)n1C ZINC001581603559 1075775505 /nfs/dbraw/zinc/77/55/05/1075775505.db2.gz AWVXFUNCKJSLFA-MGCOHNPYSA-N 0 1 385.392 -1.958 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c(=O)n1C ZINC001581604050 1075775615 /nfs/dbraw/zinc/77/56/15/1075775615.db2.gz SUXMBDSHNXGKSN-XYPYZODXSA-N 0 1 384.404 -1.353 20 0 GAADMN Cc1nnc(CC(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001581606748 1075775866 /nfs/dbraw/zinc/77/58/66/1075775866.db2.gz CRFZJZASHJMZFW-JTQLQIEISA-N 0 1 386.376 -1.348 20 0 GAADMN Cc1nnc(CC(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001581606749 1075775962 /nfs/dbraw/zinc/77/59/62/1075775962.db2.gz CRFZJZASHJMZFW-SNVBAGLBSA-N 0 1 386.376 -1.348 20 0 GAADMN Cc1nnc(CC(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)o1 ZINC001581609064 1075775922 /nfs/dbraw/zinc/77/59/22/1075775922.db2.gz ZNFMTLCIORTFSR-JTQLQIEISA-N 0 1 386.376 -1.088 20 0 GAADMN Cc1nnc(CC(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)o1 ZINC001581609065 1075776053 /nfs/dbraw/zinc/77/60/53/1075776053.db2.gz ZNFMTLCIORTFSR-SNVBAGLBSA-N 0 1 386.376 -1.088 20 0 GAADMN Cc1nnsc1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581618360 1075776306 /nfs/dbraw/zinc/77/63/06/1075776306.db2.gz QKLZGIZAGRPGKG-UHFFFAOYSA-N 0 1 376.406 -1.215 20 0 GAADMN Cc1nnsc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581618436 1075776470 /nfs/dbraw/zinc/77/64/70/1075776470.db2.gz TUDAGLCSVOGXDR-MRVPVSSYSA-N 0 1 376.406 -1.216 20 0 GAADMN Cc1nnsc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581618437 1075776378 /nfs/dbraw/zinc/77/63/78/1075776378.db2.gz TUDAGLCSVOGXDR-QMMMGPOBSA-N 0 1 376.406 -1.216 20 0 GAADMN Cc1nonc1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581651675 1075776768 /nfs/dbraw/zinc/77/67/68/1075776768.db2.gz VJPWRBRZASZPBA-UHFFFAOYSA-N 0 1 385.392 -1.100 20 0 GAADMN Cc1nonc1CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581652127 1075776755 /nfs/dbraw/zinc/77/67/55/1075776755.db2.gz HOPKMDUFRBPBSU-JTQLQIEISA-N 0 1 386.376 -1.348 20 0 GAADMN Cc1nonc1CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581652128 1075776799 /nfs/dbraw/zinc/77/67/99/1075776799.db2.gz HOPKMDUFRBPBSU-SNVBAGLBSA-N 0 1 386.376 -1.348 20 0 GAADMN Cc1nonc1CC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001581653551 1075776603 /nfs/dbraw/zinc/77/66/03/1075776603.db2.gz HONQCVFUQOJVGY-JTQLQIEISA-N 0 1 388.392 -1.154 20 0 GAADMN Cc1nonc1CC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001581653552 1075776668 /nfs/dbraw/zinc/77/66/68/1075776668.db2.gz HONQCVFUQOJVGY-SNVBAGLBSA-N 0 1 388.392 -1.154 20 0 GAADMN Cc1nonc1CC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001581654263 1075776965 /nfs/dbraw/zinc/77/69/65/1075776965.db2.gz GHYOEWZZLXHQJN-JTQLQIEISA-N 0 1 386.376 -1.088 20 0 GAADMN Cc1nonc1CC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001581654264 1075777131 /nfs/dbraw/zinc/77/71/31/1075777131.db2.gz GHYOEWZZLXHQJN-SNVBAGLBSA-N 0 1 386.376 -1.088 20 0 GAADMN Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)c1-c1nn[nH]n1 ZINC001581681381 1075777681 /nfs/dbraw/zinc/77/76/81/1075777681.db2.gz KHTJQNHKZWXOLX-HTQZYQBOSA-N 0 1 376.406 -1.342 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(-c2nnn[n-]2)c1=O ZINC001581746891 1075780414 /nfs/dbraw/zinc/78/04/14/1075780414.db2.gz QAIKGIBMGRKCTN-JTQLQIEISA-N 0 1 389.420 -1.828 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(-c2nnn[n-]2)c1=O ZINC001581746892 1075780440 /nfs/dbraw/zinc/78/04/40/1075780440.db2.gz QAIKGIBMGRKCTN-SNVBAGLBSA-N 0 1 389.420 -1.828 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC(CO)([NH2+]CC3CC3)CC2)c(-c2nn[n-]n2)c1=O ZINC001581747063 1075780398 /nfs/dbraw/zinc/78/03/98/1075780398.db2.gz WFCIYEXOMVUBHT-UHFFFAOYSA-N 0 1 376.421 -1.415 20 0 GAADMN Cn1c(=O)[nH]c(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c(-c2nnn[n-]2)c1=O ZINC001581747842 1075780867 /nfs/dbraw/zinc/78/08/67/1075780867.db2.gz YTTBPPUHARLBOH-BJOHPYRUSA-N 0 1 378.393 -1.696 20 0 GAADMN Cn1c(=O)[nH]c(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c(-c2nnn[n-]2)c1=O ZINC001581747842 1075780862 /nfs/dbraw/zinc/78/08/62/1075780862.db2.gz YTTBPPUHARLBOH-BJOHPYRUSA-N 0 1 378.393 -1.696 20 0 GAADMN Cn1c(=O)[nH]c(N2CC[NH+](CCc3cnccn3)CC2)c(-c2nnn[n-]2)c1=O ZINC001581748224 1075781245 /nfs/dbraw/zinc/78/12/45/1075781245.db2.gz SXGLOVNNFKHQDQ-UHFFFAOYSA-N 0 1 384.404 -1.592 20 0 GAADMN Cn1c(=O)cccc1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581748603 1075781417 /nfs/dbraw/zinc/78/14/17/1075781417.db2.gz KWAFRAJBHONKSW-UHFFFAOYSA-N 0 1 385.388 -1.676 20 0 GAADMN Cn1c(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c[nH]c1=O ZINC001581749725 1075781481 /nfs/dbraw/zinc/78/14/81/1075781481.db2.gz KBWRROZPXCRUJJ-SECBINFHSA-N 0 1 386.376 -1.529 20 0 GAADMN Cn1c(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c[nH]c1=O ZINC001581749726 1075781469 /nfs/dbraw/zinc/78/14/69/1075781469.db2.gz KBWRROZPXCRUJJ-VIFPVBQESA-N 0 1 386.376 -1.529 20 0 GAADMN Cn1c(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c[nH]c1=O ZINC001581750128 1075781571 /nfs/dbraw/zinc/78/15/71/1075781571.db2.gz BOJYGWMFYCVZBZ-PSASIEDQSA-N 0 1 386.376 -1.535 20 0 GAADMN Cn1c(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c[nH]c1=O ZINC001581750129 1075781633 /nfs/dbraw/zinc/78/16/33/1075781633.db2.gz BOJYGWMFYCVZBZ-SCZZXKLOSA-N 0 1 386.376 -1.535 20 0 GAADMN Cn1c(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c[nH]c1=O ZINC001581750130 1075781644 /nfs/dbraw/zinc/78/16/44/1075781644.db2.gz BOJYGWMFYCVZBZ-WCBMZHEXSA-N 0 1 386.376 -1.535 20 0 GAADMN Cn1c(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c[nH]c1=O ZINC001581750131 1075781431 /nfs/dbraw/zinc/78/14/31/1075781431.db2.gz BOJYGWMFYCVZBZ-WPRPVWTQSA-N 0 1 386.376 -1.535 20 0 GAADMN Cn1c(Cl)ncc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581750474 1075781990 /nfs/dbraw/zinc/78/19/90/1075781990.db2.gz MZXIKTVJHVFUAY-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1c(Cl)ncc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581750475 1075781894 /nfs/dbraw/zinc/78/18/94/1075781894.db2.gz MZXIKTVJHVFUAY-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1c(Cl)ncc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581751047 1075781909 /nfs/dbraw/zinc/78/19/09/1075781909.db2.gz HAPKIQUWEAJIBT-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1c(Cl)ncc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581751048 1075781829 /nfs/dbraw/zinc/78/18/29/1075781829.db2.gz HAPKIQUWEAJIBT-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1c(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c[nH]c1=O ZINC001581751280 1075781923 /nfs/dbraw/zinc/78/19/23/1075781923.db2.gz PYBGQSGKAFDHMU-HNNXBMFYSA-N 0 1 386.376 -1.533 20 0 GAADMN Cn1c(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c[nH]c1=O ZINC001581751281 1075782205 /nfs/dbraw/zinc/78/22/05/1075782205.db2.gz PYBGQSGKAFDHMU-OAHLLOKOSA-N 0 1 386.376 -1.533 20 0 GAADMN Cn1c(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)c[nH]c1=O ZINC001581751422 1075782182 /nfs/dbraw/zinc/78/21/82/1075782182.db2.gz WCZPIJQORFMPNH-SECBINFHSA-N 0 1 386.376 -1.269 20 0 GAADMN Cn1c(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)c[nH]c1=O ZINC001581751423 1075782156 /nfs/dbraw/zinc/78/21/56/1075782156.db2.gz WCZPIJQORFMPNH-VIFPVBQESA-N 0 1 386.376 -1.269 20 0 GAADMN Cn1c(=O)cccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581752323 1075782525 /nfs/dbraw/zinc/78/25/25/1075782525.db2.gz YVLFEXGNJPAUKY-MWLCHTKSSA-N 0 1 383.372 -1.665 20 0 GAADMN Cn1cc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)ccc1=O ZINC001581755167 1075783396 /nfs/dbraw/zinc/78/33/96/1075783396.db2.gz HDAYHLPJZDAGPG-UHFFFAOYSA-N 0 1 384.400 -1.071 20 0 GAADMN Cn1cc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)n(C)c1=O ZINC001581755347 1075783722 /nfs/dbraw/zinc/78/37/22/1075783722.db2.gz NOFDBVYKKHOYCF-UHFFFAOYSA-N 0 1 387.404 -1.733 20 0 GAADMN Cn1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)ccc1=O ZINC001581755594 1075783695 /nfs/dbraw/zinc/78/36/95/1075783695.db2.gz YHFKHROTOYIAPO-UHFFFAOYSA-N 0 1 385.388 -1.676 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)n(C)c1=O ZINC001581755900 1075783679 /nfs/dbraw/zinc/78/36/79/1075783679.db2.gz NUARQBGJHKEGBL-JTQLQIEISA-N 0 1 384.404 -1.168 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)n(C)c1=O ZINC001581755901 1075783708 /nfs/dbraw/zinc/78/37/08/1075783708.db2.gz NUARQBGJHKEGBL-SNVBAGLBSA-N 0 1 384.404 -1.168 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001581756167 1075783637 /nfs/dbraw/zinc/78/36/37/1075783637.db2.gz YZQFQVSZLRRYTP-JTQLQIEISA-N 0 1 384.404 -1.168 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001581756168 1075783619 /nfs/dbraw/zinc/78/36/19/1075783619.db2.gz YZQFQVSZLRRYTP-SNVBAGLBSA-N 0 1 384.404 -1.168 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001581756482 1075784084 /nfs/dbraw/zinc/78/40/84/1075784084.db2.gz HVQLPQVUIGKTBE-INIZCTEOSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001581756483 1075784133 /nfs/dbraw/zinc/78/41/33/1075784133.db2.gz HVQLPQVUIGKTBE-MRXNPFEDSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cc(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[nH]n4)n3)CC2)nn1 ZINC001581756546 1075784496 /nfs/dbraw/zinc/78/44/96/1075784496.db2.gz KERSVSJTXQFHJH-UHFFFAOYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001581756767 1075784489 /nfs/dbraw/zinc/78/44/89/1075784489.db2.gz ODUGKSHXGTXBIH-HNNXBMFYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001581756768 1075784368 /nfs/dbraw/zinc/78/43/68/1075784368.db2.gz ODUGKSHXGTXBIH-OAHLLOKOSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1cc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001581756798 1075784433 /nfs/dbraw/zinc/78/44/33/1075784433.db2.gz OTURVPGBLSLWIW-JTQLQIEISA-N 0 1 384.404 -1.310 20 0 GAADMN Cn1cc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001581756799 1075784405 /nfs/dbraw/zinc/78/44/05/1075784405.db2.gz OTURVPGBLSLWIW-SNVBAGLBSA-N 0 1 384.404 -1.310 20 0 GAADMN Cn1cc(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)nn1 ZINC001581757033 1075784722 /nfs/dbraw/zinc/78/47/22/1075784722.db2.gz VPXOVSUTDMPGOA-UHFFFAOYSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(=O)[nH]c1=O ZINC001581757038 1075784763 /nfs/dbraw/zinc/78/47/63/1075784763.db2.gz VUPDMTVHIKYHDH-MRVPVSSYSA-N 0 1 384.360 -1.796 20 0 GAADMN Cn1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(=O)[nH]c1=O ZINC001581757039 1075785105 /nfs/dbraw/zinc/78/51/05/1075785105.db2.gz VUPDMTVHIKYHDH-QMMMGPOBSA-N 0 1 384.360 -1.796 20 0 GAADMN Cn1cc(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)[nH]c1=O ZINC001581757430 1075785142 /nfs/dbraw/zinc/78/51/42/1075785142.db2.gz SKWRXDZVJBOQQO-SECBINFHSA-N 0 1 386.376 -1.529 20 0 GAADMN Cn1cc(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)[nH]c1=O ZINC001581757431 1075785061 /nfs/dbraw/zinc/78/50/61/1075785061.db2.gz SKWRXDZVJBOQQO-VIFPVBQESA-N 0 1 386.376 -1.529 20 0 GAADMN Cn1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(=O)[nH]c1=O ZINC001581757474 1075785378 /nfs/dbraw/zinc/78/53/78/1075785378.db2.gz XGOHGKXXFDBFOO-SECBINFHSA-N 0 1 383.372 -1.191 20 0 GAADMN Cn1cc(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)n(C)c1=O ZINC001581758088 1075785516 /nfs/dbraw/zinc/78/55/16/1075785516.db2.gz XIEMGWDQMJOAHI-JTQLQIEISA-N 0 1 384.404 -1.264 20 0 GAADMN Cn1cc(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)n(C)c1=O ZINC001581758089 1075785551 /nfs/dbraw/zinc/78/55/51/1075785551.db2.gz XIEMGWDQMJOAHI-SNVBAGLBSA-N 0 1 384.404 -1.264 20 0 GAADMN Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)n(C)c1=O ZINC001581758113 1075785629 /nfs/dbraw/zinc/78/56/29/1075785629.db2.gz XYDXYGFTNXHPMD-UWVGGRQHSA-N 0 1 382.388 -1.203 20 0 GAADMN Cn1cc(C(=O)NC2(CNc3ccnc(-c4nn[nH]n4)n3)CCOCC2)nn1 ZINC001581758499 1075785440 /nfs/dbraw/zinc/78/54/40/1075785440.db2.gz KHKCGKSWTFEPHD-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1cc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001581758695 1075785790 /nfs/dbraw/zinc/78/57/90/1075785790.db2.gz QRQGCVNOGPBNOU-UHFFFAOYSA-N 0 1 384.404 -1.264 20 0 GAADMN Cn1cc(C(=O)N[C@@]2(CO)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001581758918 1075785773 /nfs/dbraw/zinc/78/57/73/1075785773.db2.gz YVVNXBUSYGUPGZ-HNNXBMFYSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1cc(C(=O)N[C@]2(CO)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001581758919 1075785881 /nfs/dbraw/zinc/78/58/81/1075785881.db2.gz YVVNXBUSYGUPGZ-OAHLLOKOSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n(C)c1=O ZINC001581758970 1075785848 /nfs/dbraw/zinc/78/58/48/1075785848.db2.gz APZKLKWVZNUNQA-SECBINFHSA-N 0 1 392.445 -1.154 20 0 GAADMN Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n(C)c1=O ZINC001581758970 1075785846 /nfs/dbraw/zinc/78/58/46/1075785846.db2.gz APZKLKWVZNUNQA-SECBINFHSA-N 0 1 392.445 -1.154 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n(C)c1=O ZINC001581758971 1075786244 /nfs/dbraw/zinc/78/62/44/1075786244.db2.gz APZKLKWVZNUNQA-VIFPVBQESA-N 0 1 392.445 -1.154 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n(C)c1=O ZINC001581758971 1075786241 /nfs/dbraw/zinc/78/62/41/1075786241.db2.gz APZKLKWVZNUNQA-VIFPVBQESA-N 0 1 392.445 -1.154 20 0 GAADMN Cn1cc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(Cl)n1 ZINC001581759026 1075786208 /nfs/dbraw/zinc/78/62/08/1075786208.db2.gz CKJILGBCSPVJGK-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(Cl)n1 ZINC001581759027 1075786286 /nfs/dbraw/zinc/78/62/86/1075786286.db2.gz CKJILGBCSPVJGK-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n(C)c1=O ZINC001581759204 1075786182 /nfs/dbraw/zinc/78/61/82/1075786182.db2.gz HESDIANYDJEHHV-SECBINFHSA-N 0 1 392.445 -1.154 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n(C)c1=O ZINC001581759205 1075786233 /nfs/dbraw/zinc/78/62/33/1075786233.db2.gz HESDIANYDJEHHV-VIFPVBQESA-N 0 1 392.445 -1.154 20 0 GAADMN Cn1cc(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)n(C)c1=O ZINC001581759210 1075786227 /nfs/dbraw/zinc/78/62/27/1075786227.db2.gz HJZHZPQJYCTSOW-JTQLQIEISA-N 0 1 384.404 -1.264 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)n(C)c1=O ZINC001581759211 1075786195 /nfs/dbraw/zinc/78/61/95/1075786195.db2.gz HJZHZPQJYCTSOW-SNVBAGLBSA-N 0 1 384.404 -1.264 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(C2CC2)n1 ZINC001581759656 1075786581 /nfs/dbraw/zinc/78/65/81/1075786581.db2.gz VXMGLPQVEMBGLK-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1cc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(C2CC2)n1 ZINC001581759657 1075786477 /nfs/dbraw/zinc/78/64/77/1075786477.db2.gz VXMGLPQVEMBGLK-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1cc(C(=O)NC[C@@]2(C)CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)nn1 ZINC001581759681 1075786423 /nfs/dbraw/zinc/78/64/23/1075786423.db2.gz WSKXBUZGZDRWOP-HNNXBMFYSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1cc(C(=O)NC[C@]2(C)CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)nn1 ZINC001581759682 1075786533 /nfs/dbraw/zinc/78/65/33/1075786533.db2.gz WSKXBUZGZDRWOP-OAHLLOKOSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(C2CC2)n1 ZINC001581759778 1075786550 /nfs/dbraw/zinc/78/65/50/1075786550.db2.gz ZHYIEFLSMAMDGB-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(C2CC2)n1 ZINC001581759779 1075786429 /nfs/dbraw/zinc/78/64/29/1075786429.db2.gz ZHYIEFLSMAMDGB-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1cc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001581759869 1075786485 /nfs/dbraw/zinc/78/64/85/1075786485.db2.gz CUDHWCPOVRHFIT-UHFFFAOYSA-N 0 1 384.404 -1.264 20 0 GAADMN Cn1cc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)c(=O)[nH]c1=O ZINC001581759915 1075786442 /nfs/dbraw/zinc/78/64/42/1075786442.db2.gz FGODKGLBPPTFGU-UHFFFAOYSA-N 0 1 383.372 -1.143 20 0 GAADMN Cn1cc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)n(C)c1=O ZINC001581760397 1075786826 /nfs/dbraw/zinc/78/68/26/1075786826.db2.gz VBONGGJKQAEBDX-UHFFFAOYSA-N 0 1 384.404 -1.120 20 0 GAADMN Cn1cc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCOCC2)nn1 ZINC001581760487 1075786912 /nfs/dbraw/zinc/78/69/12/1075786912.db2.gz YGXLFBOBQZALFG-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)nn1 ZINC001581760862 1075787447 /nfs/dbraw/zinc/78/74/47/1075787447.db2.gz LBQRVVOTKUEHPI-JTQLQIEISA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)nn1 ZINC001581760863 1075787345 /nfs/dbraw/zinc/78/73/45/1075787345.db2.gz LBQRVVOTKUEHPI-SNVBAGLBSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001581762023 1075787820 /nfs/dbraw/zinc/78/78/20/1075787820.db2.gz CUDHWCPOVRHFIT-MGCOHNPYSA-N 0 1 384.404 -1.264 20 0 GAADMN Cn1cc(C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001581762322 1075788093 /nfs/dbraw/zinc/78/80/93/1075788093.db2.gz TYWFCBBUYOYDBS-UHFFFAOYSA-N 0 1 383.420 -1.058 20 0 GAADMN CN1CC(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)=NC1=O ZINC001581762451 1075788100 /nfs/dbraw/zinc/78/81/00/1075788100.db2.gz BEYXAOCPXLNGOY-MWLCHTKSSA-N 0 1 389.351 -1.181 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n(C)c1=O ZINC001581762668 1075788528 /nfs/dbraw/zinc/78/85/28/1075788528.db2.gz PHWKNSAENKEVRM-PSASIEDQSA-N 0 1 386.376 -2.327 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n(C)c1=O ZINC001581762669 1075788604 /nfs/dbraw/zinc/78/86/04/1075788604.db2.gz PHWKNSAENKEVRM-SCZZXKLOSA-N 0 1 386.376 -2.327 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)ccc1=O ZINC001581762693 1075788652 /nfs/dbraw/zinc/78/86/52/1075788652.db2.gz QQBCYCCIYAFFBC-GHMZBOCLSA-N 0 1 383.372 -1.665 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(=O)[nH]c1=O ZINC001581762833 1075788796 /nfs/dbraw/zinc/78/87/96/1075788796.db2.gz ZXZKZXMKOTYVPF-MRVPVSSYSA-N 0 1 384.360 -1.535 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(=O)[nH]c1=O ZINC001581762834 1075789005 /nfs/dbraw/zinc/78/90/05/1075789005.db2.gz ZXZKZXMKOTYVPF-QMMMGPOBSA-N 0 1 384.360 -1.535 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)[nH]c1=O ZINC001581763237 1075788973 /nfs/dbraw/zinc/78/89/73/1075788973.db2.gz AEMBSWZORBWOOD-PSASIEDQSA-N 0 1 386.376 -1.535 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)[nH]c1=O ZINC001581763241 1075788882 /nfs/dbraw/zinc/78/88/82/1075788882.db2.gz AEMBSWZORBWOOD-SCZZXKLOSA-N 0 1 386.376 -1.535 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)[nH]c1=O ZINC001581763243 1075788905 /nfs/dbraw/zinc/78/89/05/1075788905.db2.gz AEMBSWZORBWOOD-WCBMZHEXSA-N 0 1 386.376 -1.535 20 0 GAADMN Cn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)[nH]c1=O ZINC001581763249 1075788994 /nfs/dbraw/zinc/78/89/94/1075788994.db2.gz AEMBSWZORBWOOD-WPRPVWTQSA-N 0 1 386.376 -1.535 20 0 GAADMN Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(=O)[nH]c1=O ZINC001581764187 1075789388 /nfs/dbraw/zinc/78/93/88/1075789388.db2.gz GIOHOHWBFPJVJE-DTORHVGOSA-N 0 1 383.372 -1.144 20 0 GAADMN Cn1cc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001581764502 1075789216 /nfs/dbraw/zinc/78/92/16/1075789216.db2.gz QRQGCVNOGPBNOU-MGCOHNPYSA-N 0 1 384.404 -1.264 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)n(C)c1=O ZINC001581764504 1075789287 /nfs/dbraw/zinc/78/92/87/1075789287.db2.gz QUQOXZYALUBSEI-GDGBQDQQSA-N 0 1 382.388 -1.442 20 0 GAADMN Cn1cc(CC(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)cn1 ZINC001581766370 1075790239 /nfs/dbraw/zinc/79/02/39/1075790239.db2.gz JNCSISDSZADAGY-GFCCVEGCSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1cc(CC(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)cn1 ZINC001581766371 1075790141 /nfs/dbraw/zinc/79/01/41/1075790141.db2.gz JNCSISDSZADAGY-LBPRGKRZSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1cc(CC(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001581766847 1075790604 /nfs/dbraw/zinc/79/06/04/1075790604.db2.gz ITMZQKZRCVLCAV-GFCCVEGCSA-N 0 1 384.404 -1.306 20 0 GAADMN Cn1cc(CC(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001581766848 1075790572 /nfs/dbraw/zinc/79/05/72/1075790572.db2.gz ITMZQKZRCVLCAV-LBPRGKRZSA-N 0 1 384.404 -1.306 20 0 GAADMN Cn1cc(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cn1 ZINC001581766903 1075790645 /nfs/dbraw/zinc/79/06/45/1075790645.db2.gz SSICDBHTPFDDGZ-NEPJUHHUSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cc(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 ZINC001581766904 1075790387 /nfs/dbraw/zinc/79/03/87/1075790387.db2.gz SSICDBHTPFDDGZ-NWDGAFQWSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cc(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cn1 ZINC001581766905 1075790498 /nfs/dbraw/zinc/79/04/98/1075790498.db2.gz SSICDBHTPFDDGZ-RYUDHWBXSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cc(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 ZINC001581766906 1075790654 /nfs/dbraw/zinc/79/06/54/1075790654.db2.gz SSICDBHTPFDDGZ-VXGBXAGGSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cc([C@H]2C[S@](=O)CCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cn1 ZINC001581767369 1075790843 /nfs/dbraw/zinc/79/08/43/1075790843.db2.gz UFBNXIHTMDYIKP-AFNXNYLOSA-N 0 1 376.406 -1.476 20 0 GAADMN Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cn1 ZINC001581767370 1075790863 /nfs/dbraw/zinc/79/08/63/1075790863.db2.gz UFBNXIHTMDYIKP-RSNKEIGGSA-N 0 1 376.406 -1.476 20 0 GAADMN Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cn1 ZINC001581767371 1075790998 /nfs/dbraw/zinc/79/09/98/1075790998.db2.gz UFBNXIHTMDYIKP-SKVICXGVSA-N 0 1 376.406 -1.476 20 0 GAADMN Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cn1 ZINC001581767372 1075790898 /nfs/dbraw/zinc/79/08/98/1075790898.db2.gz UFBNXIHTMDYIKP-ZHZWEUQESA-N 0 1 376.406 -1.476 20 0 GAADMN Cn1cc(CCC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001581768130 1075791305 /nfs/dbraw/zinc/79/13/05/1075791305.db2.gz GMXFVOFHSQUKHF-UHFFFAOYSA-N 0 1 386.420 -1.322 20 0 GAADMN Cn1cc(CCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cn1 ZINC001581768141 1075791379 /nfs/dbraw/zinc/79/13/79/1075791379.db2.gz AHBJEQYXFIOJKH-NEPJUHHUSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cc(CCC(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)nn1 ZINC001581768849 1075791262 /nfs/dbraw/zinc/79/12/62/1075791262.db2.gz PKDAZPIIERIBBM-UHFFFAOYSA-N 0 1 386.420 -1.322 20 0 GAADMN Cn1cc(CCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 ZINC001581769273 1075791792 /nfs/dbraw/zinc/79/17/92/1075791792.db2.gz UZOJLVWKLXMDPL-GHMZBOCLSA-N 0 1 385.392 -1.916 20 0 GAADMN Cn1cc(CCC(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)nn1 ZINC001581769891 1075791991 /nfs/dbraw/zinc/79/19/91/1075791991.db2.gz UQDLGMMUDFJTLB-YABSGUDNSA-N 0 1 381.404 -1.031 20 0 GAADMN Cn1cc(Cl)c(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581772300 1075791955 /nfs/dbraw/zinc/79/19/55/1075791955.db2.gz VMQSPKQUNXQCKB-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1cc(Cl)c(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581772302 1075791949 /nfs/dbraw/zinc/79/19/49/1075791949.db2.gz VMQSPKQUNXQCKB-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1cc(N2C[C@@H](C(=O)NCCn3cnc(-c4nn[nH]n4)n3)CCC2=O)cn1 ZINC001581773826 1075792166 /nfs/dbraw/zinc/79/21/66/1075792166.db2.gz WMZVFNUJIDXUOK-JTQLQIEISA-N 0 1 385.392 -1.249 20 0 GAADMN Cn1cc(N2C[C@H](C(=O)NCCn3cnc(-c4nn[nH]n4)n3)CCC2=O)cn1 ZINC001581773827 1075792231 /nfs/dbraw/zinc/79/22/31/1075792231.db2.gz WMZVFNUJIDXUOK-SNVBAGLBSA-N 0 1 385.392 -1.249 20 0 GAADMN Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001581774325 1075792149 /nfs/dbraw/zinc/79/21/49/1075792149.db2.gz BMLVYKPVFYWIBE-GRYCIOLGSA-N 0 1 384.404 -1.495 20 0 GAADMN Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001581774327 1075791942 /nfs/dbraw/zinc/79/19/42/1075791942.db2.gz BMLVYKPVFYWIBE-SDDRHHMPSA-N 0 1 384.404 -1.495 20 0 GAADMN Cn1cc([C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2NCC(N)=O)cn1 ZINC001581774735 1075792026 /nfs/dbraw/zinc/79/20/26/1075792026.db2.gz IRZFPKWCVOHJSL-WCQYABFASA-N 0 1 384.404 -1.389 20 0 GAADMN Cn1cc([C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2NCC(N)=O)cn1 ZINC001581775007 1075792095 /nfs/dbraw/zinc/79/20/95/1075792095.db2.gz NLOMLAYPHBMEDI-WCQYABFASA-N 0 1 384.404 -1.389 20 0 GAADMN Cn1cc([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2NCC(N)=O)cn1 ZINC001581775309 1075792348 /nfs/dbraw/zinc/79/23/48/1075792348.db2.gz TURJUNVPRYPZNF-GXFFZTMASA-N 0 1 384.404 -1.389 20 0 GAADMN Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001581775402 1075792415 /nfs/dbraw/zinc/79/24/15/1075792415.db2.gz VWTNWNLRSYKZSP-GRYCIOLGSA-N 0 1 384.404 -1.495 20 0 GAADMN Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001581775403 1075792570 /nfs/dbraw/zinc/79/25/70/1075792570.db2.gz VWTNWNLRSYKZSP-SDDRHHMPSA-N 0 1 384.404 -1.495 20 0 GAADMN Cn1ccc(=O)c(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)c1 ZINC001581776317 1075792469 /nfs/dbraw/zinc/79/24/69/1075792469.db2.gz AEXHMXNEGIPSFJ-UHFFFAOYSA-N 0 1 384.400 -1.071 20 0 GAADMN Cn1ccc(=O)c(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001581776654 1075792432 /nfs/dbraw/zinc/79/24/32/1075792432.db2.gz PNVCEQTTXJVVTF-UHFFFAOYSA-N 0 1 385.388 -1.676 20 0 GAADMN Cn1ccc(=O)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c1 ZINC001581777032 1075792583 /nfs/dbraw/zinc/79/25/83/1075792583.db2.gz IPPUFKCCRTUAKM-ZYHUDNBSSA-N 0 1 383.372 -1.665 20 0 GAADMN Cn1ccc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)cc1=O ZINC001581777181 1075792907 /nfs/dbraw/zinc/79/29/07/1075792907.db2.gz PIIATJOMCOBZIF-UHFFFAOYSA-N 0 1 384.400 -1.071 20 0 GAADMN Cn1ccc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)cc1=O ZINC001581777228 1075792841 /nfs/dbraw/zinc/79/28/41/1075792841.db2.gz RWMNAXOSDIXDCM-UHFFFAOYSA-N 0 1 385.388 -1.676 20 0 GAADMN Cn1ccc(C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581784824 1075793567 /nfs/dbraw/zinc/79/35/67/1075793567.db2.gz DMNOIYOXQJZUFV-UHFFFAOYSA-N 0 1 383.420 -1.058 20 0 GAADMN Cn1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cc1=O ZINC001581786953 1075794052 /nfs/dbraw/zinc/79/40/52/1075794052.db2.gz ZRMSCCQDEVSQIY-MNOVXSKESA-N 0 1 383.372 -1.665 20 0 GAADMN Cn1ccc(CC(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581787542 1075793924 /nfs/dbraw/zinc/79/39/24/1075793924.db2.gz BEQNMZMXFJPZSV-INIZCTEOSA-N 0 1 384.404 -1.310 20 0 GAADMN Cn1ccc(CC(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581787543 1075793993 /nfs/dbraw/zinc/79/39/93/1075793993.db2.gz BEQNMZMXFJPZSV-MRXNPFEDSA-N 0 1 384.404 -1.310 20 0 GAADMN Cn1ccc(CC(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581788153 1075794458 /nfs/dbraw/zinc/79/44/58/1075794458.db2.gz LGQZYTYOLAHWAM-GFCCVEGCSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1ccc(CC(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581788155 1075794404 /nfs/dbraw/zinc/79/44/04/1075794404.db2.gz LGQZYTYOLAHWAM-LBPRGKRZSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1ccc(CC(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001581788994 1075794687 /nfs/dbraw/zinc/79/46/87/1075794687.db2.gz YGQCJOSPAIZHIC-GFCCVEGCSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1ccc(CC(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001581788995 1075794711 /nfs/dbraw/zinc/79/47/11/1075794711.db2.gz YGQCJOSPAIZHIC-LBPRGKRZSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1ccc(CCC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581789915 1075795128 /nfs/dbraw/zinc/79/51/28/1075795128.db2.gz OCBDHDFGDMGOIK-UHFFFAOYSA-N 0 1 386.420 -1.322 20 0 GAADMN Cn1ccc(CCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)n1 ZINC001581790430 1075795535 /nfs/dbraw/zinc/79/55/35/1075795535.db2.gz JZIHKWURPSKAHI-NEPJUHHUSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cccc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)c1=O ZINC001581791492 1075796029 /nfs/dbraw/zinc/79/60/29/1075796029.db2.gz JLQFDSSGGUOVEJ-UHFFFAOYSA-N 0 1 385.388 -1.676 20 0 GAADMN Cn1cccc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)c1=O ZINC001581791826 1075795920 /nfs/dbraw/zinc/79/59/20/1075795920.db2.gz OFBXHGQSLGSVRN-UHFFFAOYSA-N 0 1 384.400 -1.071 20 0 GAADMN Cn1cccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c1=O ZINC001581793923 1075795949 /nfs/dbraw/zinc/79/59/49/1075795949.db2.gz ZVNXCWDTXOCTBV-GHMZBOCLSA-N 0 1 383.372 -1.665 20 0 GAADMN Cn1cccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c1=O ZINC001581793924 1075795865 /nfs/dbraw/zinc/79/58/65/1075795865.db2.gz ZVNXCWDTXOCTBV-MNOVXSKESA-N 0 1 383.372 -1.665 20 0 GAADMN Cn1ccnc1CCC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581797482 1075796385 /nfs/dbraw/zinc/79/63/85/1075796385.db2.gz DSXBNFVIYNLNCF-UHFFFAOYSA-N 0 1 386.420 -1.322 20 0 GAADMN Cn1ccnc1CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581798938 1075796669 /nfs/dbraw/zinc/79/66/69/1075796669.db2.gz DPZUSABCIBCDIV-GHMZBOCLSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cnc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)cc1=O ZINC001581800020 1075796654 /nfs/dbraw/zinc/79/66/54/1075796654.db2.gz FJCUEYYJWKNAOK-UHFFFAOYSA-N 0 1 386.376 -2.281 20 0 GAADMN Cn1cnc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)cc1=O ZINC001581800062 1075796717 /nfs/dbraw/zinc/79/67/17/1075796717.db2.gz FUNCYCMKKDPXJG-UHFFFAOYSA-N 0 1 385.388 -1.676 20 0 GAADMN Cn1ccnc1COCC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001581800066 1075796663 /nfs/dbraw/zinc/79/66/63/1075796663.db2.gz GCLVDNTXNPAAIK-LLVKDONJSA-N 0 1 387.404 -1.477 20 0 GAADMN Cn1ccnc1COCC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001581800067 1075796658 /nfs/dbraw/zinc/79/66/58/1075796658.db2.gz GCLVDNTXNPAAIK-NSHDSACASA-N 0 1 387.404 -1.477 20 0 GAADMN Cn1ccnc1COCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581800078 1075796748 /nfs/dbraw/zinc/79/67/48/1075796748.db2.gz GSFUAYHKICXFOY-JTQLQIEISA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1ccnc1COCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581800079 1075797191 /nfs/dbraw/zinc/79/71/91/1075797191.db2.gz GSFUAYHKICXFOY-SNVBAGLBSA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1ccnc1COCC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581800467 1075797021 /nfs/dbraw/zinc/79/70/21/1075797021.db2.gz SSUQMCXAIZKRFX-JTQLQIEISA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1ccnc1COCC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581800468 1075797084 /nfs/dbraw/zinc/79/70/84/1075797084.db2.gz SSUQMCXAIZKRFX-SNVBAGLBSA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581800689 1075797413 /nfs/dbraw/zinc/79/74/13/1075797413.db2.gz AIZLNZMXEUWVRD-INIZCTEOSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581800690 1075797540 /nfs/dbraw/zinc/79/75/40/1075797540.db2.gz AIZLNZMXEUWVRD-MRXNPFEDSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581800695 1075797587 /nfs/dbraw/zinc/79/75/87/1075797587.db2.gz AOXKVPHDHWUBGN-HNNXBMFYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581800696 1075797358 /nfs/dbraw/zinc/79/73/58/1075797358.db2.gz AOXKVPHDHWUBGN-OAHLLOKOSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1=O ZINC001581800758 1075797530 /nfs/dbraw/zinc/79/75/30/1075797530.db2.gz CNAFZNBPVBTLBK-JTQLQIEISA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1=O ZINC001581800759 1075797379 /nfs/dbraw/zinc/79/73/79/1075797379.db2.gz CNAFZNBPVBTLBK-SNVBAGLBSA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)cc1=O ZINC001581800808 1075797368 /nfs/dbraw/zinc/79/73/68/1075797368.db2.gz DWLRQGDLECCUDM-JTQLQIEISA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cc1=O ZINC001581800809 1075797518 /nfs/dbraw/zinc/79/75/18/1075797518.db2.gz DWLRQGDLECCUDM-SNVBAGLBSA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1cnc(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001581800889 1075797739 /nfs/dbraw/zinc/79/77/39/1075797739.db2.gz HITHVSDTJPVQFG-UHFFFAOYSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1=O ZINC001581800892 1075797908 /nfs/dbraw/zinc/79/79/08/1075797908.db2.gz HJKZCRYUJHQLEN-JTQLQIEISA-N 0 1 382.388 -1.254 20 0 GAADMN Cn1cnc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1=O ZINC001581800893 1075797845 /nfs/dbraw/zinc/79/78/45/1075797845.db2.gz HJKZCRYUJHQLEN-SNVBAGLBSA-N 0 1 382.388 -1.254 20 0 GAADMN Cn1cnc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)cc1=O ZINC001581800905 1075797756 /nfs/dbraw/zinc/79/77/56/1075797756.db2.gz HSVNJBHFADUFDR-UHFFFAOYSA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001581801017 1075797775 /nfs/dbraw/zinc/79/77/75/1075797775.db2.gz KWEYNQHPSVFKDP-INIZCTEOSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cnc(C(=O)N2CCC[C@@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001581801018 1075797893 /nfs/dbraw/zinc/79/78/93/1075797893.db2.gz KWEYNQHPSVFKDP-MRXNPFEDSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cnc(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001581801122 1075798285 /nfs/dbraw/zinc/79/82/85/1075798285.db2.gz NTEIMQJVHOKWTL-UHFFFAOYSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cnc(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581801167 1075798213 /nfs/dbraw/zinc/79/82/13/1075798213.db2.gz OUMZQWGMZPYTEI-UHFFFAOYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1cnc(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1=O ZINC001581802913 1075798538 /nfs/dbraw/zinc/79/85/38/1075798538.db2.gz DHGRGHCWNXTYGK-LLVKDONJSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1cnc(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1=O ZINC001581802914 1075798613 /nfs/dbraw/zinc/79/86/13/1075798613.db2.gz DHGRGHCWNXTYGK-NSHDSACASA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1cnc(C(=O)NC2(CO)CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581802937 1075798470 /nfs/dbraw/zinc/79/84/70/1075798470.db2.gz FEYNJARKYCRGCF-UHFFFAOYSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1cnc(C(=O)N[C@@]2(CO)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581802980 1075798573 /nfs/dbraw/zinc/79/85/73/1075798573.db2.gz GVNHEOSNCAHIST-HNNXBMFYSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1cnc(C(=O)N[C@]2(CO)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581802981 1075798511 /nfs/dbraw/zinc/79/85/11/1075798511.db2.gz GVNHEOSNCAHIST-OAHLLOKOSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1cnc(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581803265 1075798947 /nfs/dbraw/zinc/79/89/47/1075798947.db2.gz FERUIMHUJDKWCM-JTQLQIEISA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1cnc(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581803266 1075798796 /nfs/dbraw/zinc/79/87/96/1075798796.db2.gz FERUIMHUJDKWCM-SNVBAGLBSA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)cc1=O ZINC001581803747 1075799233 /nfs/dbraw/zinc/79/92/33/1075799233.db2.gz WFFILKDECAIIHP-UWVGGRQHSA-N 0 1 380.372 -1.146 20 0 GAADMN Cn1cnc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1=O ZINC001581804467 1075799539 /nfs/dbraw/zinc/79/95/39/1075799539.db2.gz RUKDJWKEGKNHJO-UHFFFAOYSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1cnc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1=O ZINC001581804908 1075799881 /nfs/dbraw/zinc/79/98/81/1075799881.db2.gz BYDUCPDGZQTGEI-LLVKDONJSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1cnc(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1=O ZINC001581804909 1075799964 /nfs/dbraw/zinc/79/99/64/1075799964.db2.gz BYDUCPDGZQTGEI-NSHDSACASA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1=O ZINC001581804928 1075799953 /nfs/dbraw/zinc/79/99/53/1075799953.db2.gz CJKYKKBEDAIHNW-SECBINFHSA-N 0 1 390.429 -1.098 20 0 GAADMN Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1=O ZINC001581804928 1075799950 /nfs/dbraw/zinc/79/99/50/1075799950.db2.gz CJKYKKBEDAIHNW-SECBINFHSA-N 0 1 390.429 -1.098 20 0 GAADMN Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1=O ZINC001581804929 1075799926 /nfs/dbraw/zinc/79/99/26/1075799926.db2.gz CJKYKKBEDAIHNW-VIFPVBQESA-N 0 1 390.429 -1.098 20 0 GAADMN Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1=O ZINC001581804929 1075799925 /nfs/dbraw/zinc/79/99/25/1075799925.db2.gz CJKYKKBEDAIHNW-VIFPVBQESA-N 0 1 390.429 -1.098 20 0 GAADMN Cn1cnc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)cc1=O ZINC001581805424 1075800225 /nfs/dbraw/zinc/80/02/25/1075800225.db2.gz PIOUZYJZAGVQCT-UHFFFAOYSA-N 0 1 382.388 -1.063 20 0 GAADMN Cn1cnc(C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581806307 1075800672 /nfs/dbraw/zinc/80/06/72/1075800672.db2.gz CHGXQFVMQRYGJN-UHFFFAOYSA-N 0 1 384.408 -1.663 20 0 GAADMN Cn1cnc(C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001581806788 1075800993 /nfs/dbraw/zinc/80/09/93/1075800993.db2.gz KBFRSQXUKHXIBR-UHFFFAOYSA-N 0 1 383.420 -1.058 20 0 GAADMN Cn1cnc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)n1 ZINC001581807506 1075801088 /nfs/dbraw/zinc/80/10/88/1075801088.db2.gz WXIGYVKGSZPFDW-JTQLQIEISA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1cnc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)n1 ZINC001581807507 1075801039 /nfs/dbraw/zinc/80/10/39/1075801039.db2.gz WXIGYVKGSZPFDW-SNVBAGLBSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)cc1=O ZINC001581807634 1075801477 /nfs/dbraw/zinc/80/14/77/1075801477.db2.gz FQWOJVQKYDPJQC-CABCVRRESA-N 0 1 396.411 -1.065 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cc1=O ZINC001581807644 1075801509 /nfs/dbraw/zinc/80/15/09/1075801509.db2.gz GAZFYUCGTYOWKF-NXEZZACHSA-N 0 1 384.360 -2.270 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cc1=O ZINC001581807645 1075801566 /nfs/dbraw/zinc/80/15/66/1075801566.db2.gz GAZFYUCGTYOWKF-ZJUUUORDSA-N 0 1 384.360 -2.270 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)cc1=O ZINC001581807663 1075801403 /nfs/dbraw/zinc/80/14/03/1075801403.db2.gz HEHPLLQVTXLYNV-HUUCEWRRSA-N 0 1 396.411 -1.065 20 0 GAADMN Cn1cnc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1=O ZINC001581807773 1075801331 /nfs/dbraw/zinc/80/13/31/1075801331.db2.gz PVBNVJZILNNTGE-MGCOHNPYSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)cc1=O ZINC001581808320 1075801890 /nfs/dbraw/zinc/80/18/90/1075801890.db2.gz XDDBYPMNBYQHOG-WOFXILAISA-N 0 1 380.372 -1.385 20 0 GAADMN Cn1cncc1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581811466 1075802637 /nfs/dbraw/zinc/80/26/37/1075802637.db2.gz FAMLUVRFNJOGTC-UHFFFAOYSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cncc1CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581814261 1075802677 /nfs/dbraw/zinc/80/26/77/1075802677.db2.gz FAQKJGAGZLADJP-GFCCVEGCSA-N 0 1 384.404 -1.306 20 0 GAADMN Cn1cncc1CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581814262 1075802516 /nfs/dbraw/zinc/80/25/16/1075802516.db2.gz FAQKJGAGZLADJP-LBPRGKRZSA-N 0 1 384.404 -1.306 20 0 GAADMN Cn1cncc1CCC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581814805 1075803113 /nfs/dbraw/zinc/80/31/13/1075803113.db2.gz FHSVQHPEJHIPHV-UHFFFAOYSA-N 0 1 386.420 -1.322 20 0 GAADMN Cn1cncc1CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001581815389 1075803562 /nfs/dbraw/zinc/80/35/62/1075803562.db2.gz FCTNUDQVCWGKKA-GFCCVEGCSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1cncc1CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001581815390 1075803611 /nfs/dbraw/zinc/80/36/11/1075803611.db2.gz FCTNUDQVCWGKKA-LBPRGKRZSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1cncc1CC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001581816110 1075803582 /nfs/dbraw/zinc/80/35/82/1075803582.db2.gz OEGOKHPEANHOFU-GFCCVEGCSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1cncc1CC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001581816111 1075803663 /nfs/dbraw/zinc/80/36/63/1075803663.db2.gz OEGOKHPEANHOFU-LBPRGKRZSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1cncc1CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581816213 1075803958 /nfs/dbraw/zinc/80/39/58/1075803958.db2.gz PAXNIZFTZPLJQA-INIZCTEOSA-N 0 1 384.404 -1.310 20 0 GAADMN Cn1cncc1CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581816217 1075804149 /nfs/dbraw/zinc/80/41/49/1075804149.db2.gz PAXNIZFTZPLJQA-MRXNPFEDSA-N 0 1 384.404 -1.310 20 0 GAADMN Cn1cncc1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581817007 1075804095 /nfs/dbraw/zinc/80/40/95/1075804095.db2.gz XMIYEANXROEHPY-NEPJUHHUSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cncc1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581817010 1075804035 /nfs/dbraw/zinc/80/40/35/1075804035.db2.gz XMIYEANXROEHPY-NWDGAFQWSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cncc1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581817013 1075803986 /nfs/dbraw/zinc/80/39/86/1075803986.db2.gz XMIYEANXROEHPY-RYUDHWBXSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cncc1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581817014 1075804160 /nfs/dbraw/zinc/80/41/60/1075804160.db2.gz XMIYEANXROEHPY-VXGBXAGGSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cncc1CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581817645 1075804379 /nfs/dbraw/zinc/80/43/79/1075804379.db2.gz JTUSEZFSNZTPAG-NEPJUHHUSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cncc1CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581817646 1075804365 /nfs/dbraw/zinc/80/43/65/1075804365.db2.gz JTUSEZFSNZTPAG-VXGBXAGGSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cnn(CC(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818024 1075804532 /nfs/dbraw/zinc/80/45/32/1075804532.db2.gz APBGBRXDKQFKJV-UHFFFAOYSA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)c1=O ZINC001581818044 1075804800 /nfs/dbraw/zinc/80/48/00/1075804800.db2.gz BMWNUDQHDRSPIG-JTQLQIEISA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1cnn(CC(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)c1=O ZINC001581818045 1075804907 /nfs/dbraw/zinc/80/49/07/1075804907.db2.gz BMWNUDQHDRSPIG-SNVBAGLBSA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1cnn(CC(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)c1=O ZINC001581818067 1075804816 /nfs/dbraw/zinc/80/48/16/1075804816.db2.gz CMYOPATTWVODEB-UHFFFAOYSA-N 0 1 388.392 -2.488 20 0 GAADMN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581818074 1075804685 /nfs/dbraw/zinc/80/46/85/1075804685.db2.gz CSPXFZZFTKMJBL-GMTAPVOTSA-N 0 1 384.404 -1.495 20 0 GAADMN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581818075 1075804743 /nfs/dbraw/zinc/80/47/43/1075804743.db2.gz CSPXFZZFTKMJBL-HBNTYKKESA-N 0 1 384.404 -1.495 20 0 GAADMN Cn1cnn(CC(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)c1=O ZINC001581818079 1075804829 /nfs/dbraw/zinc/80/48/29/1075804829.db2.gz DCCYERTZRKGOLK-UHFFFAOYSA-N 0 1 384.404 -1.318 20 0 GAADMN Cn1cnn(CC(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)c1=O ZINC001581818163 1075805546 /nfs/dbraw/zinc/80/55/46/1075805546.db2.gz HWGUKRUIFCMHNT-UHFFFAOYSA-N 0 1 385.392 -1.923 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581818170 1075805706 /nfs/dbraw/zinc/80/57/06/1075805706.db2.gz IHMLVGLQQCRTEO-LLVKDONJSA-N 0 1 384.404 -1.318 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581818171 1075805505 /nfs/dbraw/zinc/80/55/05/1075805505.db2.gz IHMLVGLQQCRTEO-NSHDSACASA-N 0 1 384.404 -1.318 20 0 GAADMN Cn1cnn(CC(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1=O ZINC001581818194 1075805647 /nfs/dbraw/zinc/80/56/47/1075805647.db2.gz JCNPEQJKZIEDQQ-UHFFFAOYSA-N 0 1 385.392 -1.663 20 0 GAADMN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581818276 1075805894 /nfs/dbraw/zinc/80/58/94/1075805894.db2.gz NFSMPXBVAPCIHP-GMTAPVOTSA-N 0 1 384.404 -1.495 20 0 GAADMN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581818277 1075805917 /nfs/dbraw/zinc/80/59/17/1075805917.db2.gz NFSMPXBVAPCIHP-HBNTYKKESA-N 0 1 384.404 -1.495 20 0 GAADMN Cn1cnn(CC(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)c1=O ZINC001581818291 1075806025 /nfs/dbraw/zinc/80/60/25/1075806025.db2.gz NXJOKJNYCUJBIY-UHFFFAOYSA-N 0 1 384.404 -1.058 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818319 1075805984 /nfs/dbraw/zinc/80/59/84/1075805984.db2.gz PSLYKGYJCINXPN-JTQLQIEISA-N 0 1 385.392 -1.923 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818320 1075805993 /nfs/dbraw/zinc/80/59/93/1075805993.db2.gz PSLYKGYJCINXPN-SNVBAGLBSA-N 0 1 385.392 -1.923 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1=O ZINC001581818341 1075805923 /nfs/dbraw/zinc/80/59/23/1075805923.db2.gz QLFMGSYVZGNZSB-LLVKDONJSA-N 0 1 384.404 -1.318 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1=O ZINC001581818439 1075806769 /nfs/dbraw/zinc/80/67/69/1075806769.db2.gz WOHHKGRUMDBCHL-JTQLQIEISA-N 0 1 385.392 -1.923 20 0 GAADMN Cn1cnn(CC(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1=O ZINC001581818440 1075806781 /nfs/dbraw/zinc/80/67/81/1075806781.db2.gz WOHHKGRUMDBCHL-SNVBAGLBSA-N 0 1 385.392 -1.923 20 0 GAADMN Cn1cnn(CC(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)c1=O ZINC001581818488 1075806927 /nfs/dbraw/zinc/80/69/27/1075806927.db2.gz YWSKBNZUKIQASC-CYBMUJFWSA-N 0 1 384.404 -1.414 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)c1=O ZINC001581818489 1075806978 /nfs/dbraw/zinc/80/69/78/1075806978.db2.gz YWSKBNZUKIQASC-ZDUSSCGKSA-N 0 1 384.404 -1.414 20 0 GAADMN Cn1cnn(CC(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818557 1075807416 /nfs/dbraw/zinc/80/74/16/1075807416.db2.gz APBGBRXDKQFKJV-MGCOHNPYSA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1cnn(CC(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)c1=O ZINC001581818568 1075807225 /nfs/dbraw/zinc/80/72/25/1075807225.db2.gz BAEKEAKYUXMONH-UHFFFAOYSA-N 0 1 385.392 -1.663 20 0 GAADMN Cn1cnn(CCC(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)c1=O ZINC001581818588 1075807555 /nfs/dbraw/zinc/80/75/55/1075807555.db2.gz BLFSQICCTNLTNV-JTQLQIEISA-N 0 1 388.392 -2.442 20 0 GAADMN Cn1cnn(CCC(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)c1=O ZINC001581818589 1075807598 /nfs/dbraw/zinc/80/75/98/1075807598.db2.gz BLFSQICCTNLTNV-SNVBAGLBSA-N 0 1 388.392 -2.442 20 0 GAADMN Cn1cnn(CCC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818598 1075807718 /nfs/dbraw/zinc/80/77/18/1075807718.db2.gz CBBQQEUNECCJNY-AOOOYVTPSA-N 0 1 385.392 -1.877 20 0 GAADMN Cn1cnn(CCC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818599 1075807541 /nfs/dbraw/zinc/80/75/41/1075807541.db2.gz CBBQQEUNECCJNY-MGCOHNPYSA-N 0 1 385.392 -1.877 20 0 GAADMN Cn1cnn(CC(=O)NCCNCc2ccc(-c3nn[nH]n3)cc2F)c1=O ZINC001581818600 1075807573 /nfs/dbraw/zinc/80/75/73/1075807573.db2.gz CELZFDJSNBOPCL-UHFFFAOYSA-N 0 1 375.368 -1.193 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818610 1075807658 /nfs/dbraw/zinc/80/76/58/1075807658.db2.gz CIVXFGNXLDFSLM-JTQLQIEISA-N 0 1 385.392 -1.805 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818611 1075807669 /nfs/dbraw/zinc/80/76/69/1075807669.db2.gz CIVXFGNXLDFSLM-SNVBAGLBSA-N 0 1 385.392 -1.805 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1=O ZINC001581818615 1075807624 /nfs/dbraw/zinc/80/76/24/1075807624.db2.gz COPZNUUJSFQIEH-GDGBQDQQSA-N 0 1 383.376 -2.197 20 0 GAADMN Cn1cnn(CCC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818621 1075807613 /nfs/dbraw/zinc/80/76/13/1075807613.db2.gz CZHPMDMDYQRMTJ-JTQLQIEISA-N 0 1 385.392 -1.923 20 0 GAADMN Cn1cnn(CCC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818622 1075807637 /nfs/dbraw/zinc/80/76/37/1075807637.db2.gz CZHPMDMDYQRMTJ-SNVBAGLBSA-N 0 1 385.392 -1.923 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581818703 1075807971 /nfs/dbraw/zinc/80/79/71/1075807971.db2.gz GMTCTNRBVHWSSN-PHIMTYICSA-N 0 1 384.404 -1.414 20 0 GAADMN Cn1cnn(CC(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581818704 1075807958 /nfs/dbraw/zinc/80/79/58/1075807958.db2.gz GMTCTNRBVHWSSN-UHFFFAOYSA-N 0 1 384.404 -1.414 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581818705 1075808049 /nfs/dbraw/zinc/80/80/49/1075808049.db2.gz GMTCTNRBVHWSSN-XYPYZODXSA-N 0 1 384.404 -1.414 20 0 GAADMN Cn1cnn(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818710 1075807938 /nfs/dbraw/zinc/80/79/38/1075807938.db2.gz GWBCGXZZKBOBOX-JTQLQIEISA-N 0 1 385.392 -1.663 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581818711 1075807946 /nfs/dbraw/zinc/80/79/46/1075807946.db2.gz GWBCGXZZKBOBOX-SNVBAGLBSA-N 0 1 385.392 -1.663 20 0 GAADMN Cn1cnn(CC(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)c1=O ZINC001581818768 1075808360 /nfs/dbraw/zinc/80/83/60/1075808360.db2.gz IMGPCRCXVZACFS-UHFFFAOYSA-N 0 1 385.392 -1.875 20 0 GAADMN Cn1cnn(CCC(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)c1=O ZINC001581818814 1075808312 /nfs/dbraw/zinc/80/83/12/1075808312.db2.gz LAFBPCPRQSCLGC-UHFFFAOYSA-N 0 1 385.392 -1.875 20 0 GAADMN Cn1cnnc1COCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581818950 1075808762 /nfs/dbraw/zinc/80/87/62/1075808762.db2.gz FHQVPCOKRDFTKY-JTQLQIEISA-N 0 1 385.392 -1.303 20 0 GAADMN Cn1cnnc1COCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581818951 1075808672 /nfs/dbraw/zinc/80/86/72/1075808672.db2.gz FHQVPCOKRDFTKY-SNVBAGLBSA-N 0 1 385.392 -1.303 20 0 GAADMN Cn1cnn(CCC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581819083 1075808943 /nfs/dbraw/zinc/80/89/43/1075808943.db2.gz NURVVSGUPCQIRO-JTQLQIEISA-N 0 1 385.392 -1.663 20 0 GAADMN Cn1cnn(CCC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581819089 1075808724 /nfs/dbraw/zinc/80/87/24/1075808724.db2.gz NURVVSGUPCQIRO-SNVBAGLBSA-N 0 1 385.392 -1.663 20 0 GAADMN Cn1cnnc1COCC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001581819186 1075809158 /nfs/dbraw/zinc/80/91/58/1075809158.db2.gz KMKVMEKYUJZKCO-JTQLQIEISA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1cnnc1COCC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001581819187 1075809088 /nfs/dbraw/zinc/80/90/88/1075809088.db2.gz KMKVMEKYUJZKCO-SNVBAGLBSA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)c1=O ZINC001581819289 1075809644 /nfs/dbraw/zinc/80/96/44/1075809644.db2.gz QZXXCJOTJCLYIE-JTQLQIEISA-N 0 1 385.392 -1.663 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)c1=O ZINC001581819290 1075809604 /nfs/dbraw/zinc/80/96/04/1075809604.db2.gz QZXXCJOTJCLYIE-SNVBAGLBSA-N 0 1 385.392 -1.663 20 0 GAADMN Cn1cnnc1COCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581819298 1075809204 /nfs/dbraw/zinc/80/92/04/1075809204.db2.gz NSMQQQCEXNYWOA-JTQLQIEISA-N 0 1 385.392 -1.563 20 0 GAADMN Cn1cnnc1COCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581819300 1075809128 /nfs/dbraw/zinc/80/91/28/1075809128.db2.gz NSMQQQCEXNYWOA-SNVBAGLBSA-N 0 1 385.392 -1.563 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581819316 1075809527 /nfs/dbraw/zinc/80/95/27/1075809527.db2.gz RJSAIWLJKUQZDZ-LLVKDONJSA-N 0 1 384.404 -1.200 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581819321 1075809537 /nfs/dbraw/zinc/80/95/37/1075809537.db2.gz RJSAIWLJKUQZDZ-NSHDSACASA-N 0 1 384.404 -1.200 20 0 GAADMN Cn1cnnc1COCC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001581819378 1075809612 /nfs/dbraw/zinc/80/96/12/1075809612.db2.gz QIHHVNDAMOODNE-JTQLQIEISA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1cnnc1COCC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001581819379 1075809633 /nfs/dbraw/zinc/80/96/33/1075809633.db2.gz QIHHVNDAMOODNE-SNVBAGLBSA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)c1=O ZINC001581819834 1075810627 /nfs/dbraw/zinc/81/06/27/1075810627.db2.gz WGULDHPNRBDPCO-YABSGUDNSA-N 0 1 382.388 -1.592 20 0 GAADMN Cn1cnn(CCC(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)c1=O ZINC001581819847 1075810750 /nfs/dbraw/zinc/81/07/50/1075810750.db2.gz WNLCMZQQHKGZMW-JTQLQIEISA-N 0 1 388.392 -2.442 20 0 GAADMN Cn1cnn(CCC(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)c1=O ZINC001581819848 1075810756 /nfs/dbraw/zinc/81/07/56/1075810756.db2.gz WNLCMZQQHKGZMW-SNVBAGLBSA-N 0 1 388.392 -2.442 20 0 GAADMN Cn1cnnc1COCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581819855 1075810054 /nfs/dbraw/zinc/81/00/54/1075810054.db2.gz WPIXMBNBMUWSRE-AOOOYVTPSA-N 0 1 385.392 -1.517 20 0 GAADMN Cn1cnnc1COCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581819856 1075810189 /nfs/dbraw/zinc/81/01/89/1075810189.db2.gz WPIXMBNBMUWSRE-MGCOHNPYSA-N 0 1 385.392 -1.517 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)c1=O ZINC001581819870 1075810700 /nfs/dbraw/zinc/81/07/00/1075810700.db2.gz WYILNVGLLUHVRA-CYBMUJFWSA-N 0 1 384.404 -1.414 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)c1=O ZINC001581819873 1075810772 /nfs/dbraw/zinc/81/07/72/1075810772.db2.gz WYILNVGLLUHVRA-ZDUSSCGKSA-N 0 1 384.404 -1.414 20 0 GAADMN Cn1cnn(CCC(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)c1=O ZINC001581819934 1075811003 /nfs/dbraw/zinc/81/10/03/1075811003.db2.gz XMASKCFURBBLPF-UHFFFAOYSA-N 0 1 384.404 -1.270 20 0 GAADMN Cn1cnn(CCC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581820123 1075811106 /nfs/dbraw/zinc/81/11/06/1075811106.db2.gz YCCMURJDAJXMOR-PHIMTYICSA-N 0 1 384.404 -1.272 20 0 GAADMN Cn1cnn(CCC(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581820124 1075810940 /nfs/dbraw/zinc/81/09/40/1075810940.db2.gz YCCMURJDAJXMOR-XYPYZODXSA-N 0 1 384.404 -1.272 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)c1=O ZINC001581820148 1075811507 /nfs/dbraw/zinc/81/15/07/1075811507.db2.gz ZKKVWTWBYCEASN-JTQLQIEISA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1cnn(CC(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)c1=O ZINC001581820149 1075811469 /nfs/dbraw/zinc/81/14/69/1075811469.db2.gz ZKKVWTWBYCEASN-SNVBAGLBSA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1cnn(CCC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001581820154 1075811513 /nfs/dbraw/zinc/81/15/13/1075811513.db2.gz ZMXBMFVNLFQMKN-NSHDSACASA-N 0 1 384.404 -1.318 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581820172 1075811292 /nfs/dbraw/zinc/81/12/92/1075811292.db2.gz ZVAWPFGXAAUSKN-AOOOYVTPSA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1cnn(CC(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581820173 1075811334 /nfs/dbraw/zinc/81/13/34/1075811334.db2.gz ZVAWPFGXAAUSKN-MGCOHNPYSA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1cnn(CC(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001581820174 1075811385 /nfs/dbraw/zinc/81/13/85/1075811385.db2.gz ZVAWPFGXAAUSKN-UHFFFAOYSA-N 0 1 385.392 -2.019 20 0 GAADMN Cn1nc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)ccc1=O ZINC001581821207 1075811457 /nfs/dbraw/zinc/81/14/57/1075811457.db2.gz GAQUSJKFTHZPBB-UHFFFAOYSA-N 0 1 385.388 -1.676 20 0 GAADMN Cn1nc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)ccc1=O ZINC001581821260 1075811899 /nfs/dbraw/zinc/81/18/99/1075811899.db2.gz IWTBPSDFNWONPQ-UHFFFAOYSA-N 0 1 386.376 -2.281 20 0 GAADMN Cn1nc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)ccc1=O ZINC001581821339 1075811712 /nfs/dbraw/zinc/81/17/12/1075811712.db2.gz NGJOQMGGDGPNDX-SNVBAGLBSA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1nc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001581821396 1075811873 /nfs/dbraw/zinc/81/18/73/1075811873.db2.gz QULQFWONTRYPJG-JTQLQIEISA-N 0 1 382.388 -1.254 20 0 GAADMN Cn1nc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001581821397 1075811819 /nfs/dbraw/zinc/81/18/19/1075811819.db2.gz QULQFWONTRYPJG-SNVBAGLBSA-N 0 1 382.388 -1.254 20 0 GAADMN Cn1nc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001581821442 1075812105 /nfs/dbraw/zinc/81/21/05/1075812105.db2.gz SQKPDAIQTGGGEG-JTQLQIEISA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1nc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001581821443 1075812063 /nfs/dbraw/zinc/81/20/63/1075812063.db2.gz SQKPDAIQTGGGEG-SNVBAGLBSA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1nc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001581821585 1075812185 /nfs/dbraw/zinc/81/21/85/1075812185.db2.gz ALABWMWDJOXNLB-MGCOHNPYSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)ccc1=O ZINC001581821782 1075812716 /nfs/dbraw/zinc/81/27/16/1075812716.db2.gz NEXQKNWLSCJZEU-ZJUUUORDSA-N 0 1 384.360 -2.270 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)ccc1=O ZINC001581821881 1075812745 /nfs/dbraw/zinc/81/27/45/1075812745.db2.gz TWKBWCUODGVOTM-WOFXILAISA-N 0 1 380.372 -1.385 20 0 GAADMN Cn1nc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001581822045 1075812456 /nfs/dbraw/zinc/81/24/56/1075812456.db2.gz ALABWMWDJOXNLB-AOOOYVTPSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1nc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001581822381 1075813001 /nfs/dbraw/zinc/81/30/01/1075813001.db2.gz ODNFCJQLFZLCIK-UHFFFAOYSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1nc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)ccc1=O ZINC001581822443 1075813305 /nfs/dbraw/zinc/81/33/05/1075813305.db2.gz QCDNWBVJDXHSIY-LLVKDONJSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1nc(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)ccc1=O ZINC001581822444 1075813367 /nfs/dbraw/zinc/81/33/67/1075813367.db2.gz QCDNWBVJDXHSIY-NSHDSACASA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1nc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cc1Cl ZINC001581822455 1075813277 /nfs/dbraw/zinc/81/32/77/1075813277.db2.gz QPFSHDBBTGJQQL-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1nc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cc1Cl ZINC001581822456 1075813316 /nfs/dbraw/zinc/81/33/16/1075813316.db2.gz QPFSHDBBTGJQQL-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1nc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cc1Cl ZINC001581822497 1075813358 /nfs/dbraw/zinc/81/33/58/1075813358.db2.gz SBXFXXQVYSYNRK-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1nc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cc1Cl ZINC001581822498 1075813350 /nfs/dbraw/zinc/81/33/50/1075813350.db2.gz SBXFXXQVYSYNRK-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)ccc1=O ZINC001581822554 1075813216 /nfs/dbraw/zinc/81/32/16/1075813216.db2.gz UCQGNWGKTCXOFT-SECBINFHSA-N 0 1 390.429 -1.098 20 0 GAADMN Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)ccc1=O ZINC001581822554 1075813213 /nfs/dbraw/zinc/81/32/13/1075813213.db2.gz UCQGNWGKTCXOFT-SECBINFHSA-N 0 1 390.429 -1.098 20 0 GAADMN Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)ccc1=O ZINC001581822555 1075813260 /nfs/dbraw/zinc/81/32/60/1075813260.db2.gz UCQGNWGKTCXOFT-VIFPVBQESA-N 0 1 390.429 -1.098 20 0 GAADMN Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)ccc1=O ZINC001581822555 1075813256 /nfs/dbraw/zinc/81/32/56/1075813256.db2.gz UCQGNWGKTCXOFT-VIFPVBQESA-N 0 1 390.429 -1.098 20 0 GAADMN Cn1nc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cc1C1CC1 ZINC001581822657 1075813245 /nfs/dbraw/zinc/81/32/45/1075813245.db2.gz YQHAFOMPSDAHIP-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1nc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cc1C1CC1 ZINC001581822658 1075813377 /nfs/dbraw/zinc/81/33/77/1075813377.db2.gz YQHAFOMPSDAHIP-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1nc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)ccc1=O ZINC001581822665 1075813767 /nfs/dbraw/zinc/81/37/67/1075813767.db2.gz YVNVJVXBAUALBF-UHFFFAOYSA-N 0 1 382.388 -1.063 20 0 GAADMN Cn1nc(C2CC2)cc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581823156 1075813649 /nfs/dbraw/zinc/81/36/49/1075813649.db2.gz JBFFMXPOPKHABD-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1nc(C2CC2)cc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581823157 1075813775 /nfs/dbraw/zinc/81/37/75/1075813775.db2.gz JBFFMXPOPKHABD-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1nc(C2CC2)cc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581823407 1075813618 /nfs/dbraw/zinc/81/36/18/1075813618.db2.gz OPHJBOATGKHCSL-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1nc(C2CC2)cc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581823410 1075813675 /nfs/dbraw/zinc/81/36/75/1075813675.db2.gz OPHJBOATGKHCSL-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001581825224 1075814472 /nfs/dbraw/zinc/81/44/72/1075814472.db2.gz DTHPSRNQEINOPC-UHFFFAOYSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1ncc(C(=O)N2CCC[C@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581825547 1075814922 /nfs/dbraw/zinc/81/49/22/1075814922.db2.gz QOQNLIWTVJHBEV-INIZCTEOSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1ncc(C(=O)N2CCC[C@@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581825548 1075814929 /nfs/dbraw/zinc/81/49/29/1075814929.db2.gz QOQNLIWTVJHBEV-MRXNPFEDSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1ncc(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581825662 1075814884 /nfs/dbraw/zinc/81/48/84/1075814884.db2.gz WYCXTPJJZQFPCQ-JTQLQIEISA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1ncc(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581825663 1075814778 /nfs/dbraw/zinc/81/47/78/1075814778.db2.gz WYCXTPJJZQFPCQ-SNVBAGLBSA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1ncc(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581825692 1075814808 /nfs/dbraw/zinc/81/48/08/1075814808.db2.gz YHUMFONSVQHNMB-UHFFFAOYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1ncc(C(=O)NC2(CO)CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581826689 1075814848 /nfs/dbraw/zinc/81/48/48/1075814848.db2.gz GAQSCMGTQJOUES-UHFFFAOYSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1ncc(C(=O)N[C@@]2(CO)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581827170 1075815207 /nfs/dbraw/zinc/81/52/07/1075815207.db2.gz QORWLOAQDLGZCO-HNNXBMFYSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1ncc(C(=O)N[C@]2(CO)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581827171 1075815261 /nfs/dbraw/zinc/81/52/61/1075815261.db2.gz QORWLOAQDLGZCO-OAHLLOKOSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1ncc(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1N ZINC001581827216 1075815350 /nfs/dbraw/zinc/81/53/50/1075815350.db2.gz FXLHRACYWBOIIY-SECBINFHSA-N 0 1 385.392 -1.653 20 0 GAADMN Cn1ncc(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1N ZINC001581827217 1075815287 /nfs/dbraw/zinc/81/52/87/1075815287.db2.gz FXLHRACYWBOIIY-VIFPVBQESA-N 0 1 385.392 -1.653 20 0 GAADMN Cn1ncc(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1N ZINC001581827264 1075815754 /nfs/dbraw/zinc/81/57/54/1075815754.db2.gz IUSLJHJDTWTBBT-JTQLQIEISA-N 0 1 384.404 -1.048 20 0 GAADMN Cn1ncc(C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1N ZINC001581827265 1075815498 /nfs/dbraw/zinc/81/54/98/1075815498.db2.gz IUSLJHJDTWTBBT-SNVBAGLBSA-N 0 1 384.404 -1.048 20 0 GAADMN Cn1ncc(C(=O)NC2(CNc3ccnc(-c4nn[nH]n4)n3)CCOCC2)n1 ZINC001581827576 1075815715 /nfs/dbraw/zinc/81/57/15/1075815715.db2.gz XDVGEGTYTIKDIV-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1ncc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1Cl ZINC001581827857 1075816045 /nfs/dbraw/zinc/81/60/45/1075816045.db2.gz ATAROALLHLDYTA-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1Cl ZINC001581827858 1075815965 /nfs/dbraw/zinc/81/59/65/1075815965.db2.gz ATAROALLHLDYTA-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1C1CC1 ZINC001581827931 1075816389 /nfs/dbraw/zinc/81/63/89/1075816389.db2.gz CKQBKLHTHHCJNP-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1C1CC1 ZINC001581827932 1075816419 /nfs/dbraw/zinc/81/64/19/1075816419.db2.gz CKQBKLHTHHCJNP-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1C1CC1 ZINC001581828074 1075816446 /nfs/dbraw/zinc/81/64/46/1075816446.db2.gz HLSPMUXAPNFBDH-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1C1CC1 ZINC001581828075 1075816328 /nfs/dbraw/zinc/81/63/28/1075816328.db2.gz HLSPMUXAPNFBDH-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCOCC2)n1 ZINC001581828278 1075816368 /nfs/dbraw/zinc/81/63/68/1075816368.db2.gz OCPIZVTWZBROFI-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1ncc(C(=O)NC[C@@]2(C)CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001581828438 1075816740 /nfs/dbraw/zinc/81/67/40/1075816740.db2.gz UWDCWDYHYCUOAG-HNNXBMFYSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1ncc(C(=O)NC[C@]2(C)CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)n1 ZINC001581828439 1075816805 /nfs/dbraw/zinc/81/68/05/1075816805.db2.gz UWDCWDYHYCUOAG-OAHLLOKOSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1ncc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)n1 ZINC001581829400 1075816724 /nfs/dbraw/zinc/81/67/24/1075816724.db2.gz BEOMNMXAXPNNEO-JTQLQIEISA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)n1 ZINC001581829401 1075816824 /nfs/dbraw/zinc/81/68/24/1075816824.db2.gz BEOMNMXAXPNNEO-SNVBAGLBSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1ncc(C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581829500 1075816830 /nfs/dbraw/zinc/81/68/30/1075816830.db2.gz GTBATRPFJLZVGQ-UHFFFAOYSA-N 0 1 384.408 -1.663 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)c1N ZINC001581829833 1075816972 /nfs/dbraw/zinc/81/69/72/1075816972.db2.gz SMUAHVLUWJCDAU-SECBINFHSA-N 0 1 385.392 -1.392 20 0 GAADMN Cn1ncc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)c1N ZINC001581829834 1075816988 /nfs/dbraw/zinc/81/69/88/1075816988.db2.gz SMUAHVLUWJCDAU-VIFPVBQESA-N 0 1 385.392 -1.392 20 0 GAADMN Cn1ncc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)c1N ZINC001581829928 1075817456 /nfs/dbraw/zinc/81/74/56/1075817456.db2.gz WMLPQHDIUZNQKM-SECBINFHSA-N 0 1 385.392 -1.392 20 0 GAADMN Cn1ncc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)c1N ZINC001581829929 1075817488 /nfs/dbraw/zinc/81/74/88/1075817488.db2.gz WMLPQHDIUZNQKM-VIFPVBQESA-N 0 1 385.392 -1.392 20 0 GAADMN Cn1ncc(CCC(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)n1 ZINC001581830059 1075817511 /nfs/dbraw/zinc/81/75/11/1075817511.db2.gz BQRDUHPJHZJIPP-UHFFFAOYSA-N 0 1 386.420 -1.322 20 0 GAADMN Cn1ncc(CCC(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001581830293 1075817413 /nfs/dbraw/zinc/81/74/13/1075817413.db2.gz OHQWKIUWAGLHQP-UHFFFAOYSA-N 0 1 387.408 -1.927 20 0 GAADMN Cn1ncc(C2CC2)c1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581830335 1075817404 /nfs/dbraw/zinc/81/74/04/1075817404.db2.gz QXLXLZWOWNJNQA-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(C2CC2)c1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581830336 1075817478 /nfs/dbraw/zinc/81/74/78/1075817478.db2.gz QXLXLZWOWNJNQA-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(C2CC2)c1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581830384 1075817394 /nfs/dbraw/zinc/81/73/94/1075817394.db2.gz UDELKKGHMWSXPJ-JTQLQIEISA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(C2CC2)c1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581830385 1075817465 /nfs/dbraw/zinc/81/74/65/1075817465.db2.gz UDELKKGHMWSXPJ-SNVBAGLBSA-N 0 1 384.404 -1.108 20 0 GAADMN Cn1ncc(CCC(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)n1 ZINC001581831659 1075817996 /nfs/dbraw/zinc/81/79/96/1075817996.db2.gz DVSLMQCIELDPBN-YABSGUDNSA-N 0 1 381.404 -1.031 20 0 GAADMN Cn1ncc(CCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001581831895 1075817802 /nfs/dbraw/zinc/81/78/02/1075817802.db2.gz MJPQOLQBIGCZRD-GHMZBOCLSA-N 0 1 385.392 -1.916 20 0 GAADMN Cn1ncc(Cl)c1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581832417 1075818289 /nfs/dbraw/zinc/81/82/89/1075818289.db2.gz IJBZAKJULKLJAL-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1ncc(Cl)c1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581832418 1075818340 /nfs/dbraw/zinc/81/83/40/1075818340.db2.gz IJBZAKJULKLJAL-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1ncc(Cl)c1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581832985 1075818130 /nfs/dbraw/zinc/81/81/30/1075818130.db2.gz SZHFLJXDVQJXKQ-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1ncc(Cl)c1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581832986 1075818330 /nfs/dbraw/zinc/81/83/30/1075818330.db2.gz SZHFLJXDVQJXKQ-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1nccc1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581835683 1075818698 /nfs/dbraw/zinc/81/86/98/1075818698.db2.gz MCCAEQMKVNEERX-UHFFFAOYSA-N 0 1 383.420 -1.058 20 0 GAADMN Cn1nccc1CCC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581837988 1075819111 /nfs/dbraw/zinc/81/91/11/1075819111.db2.gz HTTFKRMVGSJMRS-UHFFFAOYSA-N 0 1 386.420 -1.322 20 0 GAADMN Cn1nccc1COCC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581839628 1075819382 /nfs/dbraw/zinc/81/93/82/1075819382.db2.gz JRRAKZBINDGWQX-JTQLQIEISA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1nccc1COCC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581839629 1075819461 /nfs/dbraw/zinc/81/94/61/1075819461.db2.gz JRRAKZBINDGWQX-SNVBAGLBSA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1nccc1COCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581839651 1075819768 /nfs/dbraw/zinc/81/97/68/1075819768.db2.gz KOIOMSYXGLJLFA-LLVKDONJSA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1nccc1COCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581839652 1075819902 /nfs/dbraw/zinc/81/99/02/1075819902.db2.gz KOIOMSYXGLJLFA-NSHDSACASA-N 0 1 388.392 -2.082 20 0 GAADMN Cn1nccc1COCC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001581839689 1075819704 /nfs/dbraw/zinc/81/97/04/1075819704.db2.gz LSTXRTFJKJXXLZ-LLVKDONJSA-N 0 1 387.404 -1.477 20 0 GAADMN Cn1nccc1COCC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001581839690 1075819883 /nfs/dbraw/zinc/81/98/83/1075819883.db2.gz LSTXRTFJKJXXLZ-NSHDSACASA-N 0 1 387.404 -1.477 20 0 GAADMN Cn1nccc1CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581840033 1075819837 /nfs/dbraw/zinc/81/98/37/1075819837.db2.gz FRJDPMPIPLDQAG-NEPJUHHUSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1nccc1CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581840034 1075819908 /nfs/dbraw/zinc/81/99/08/1075819908.db2.gz FRJDPMPIPLDQAG-VXGBXAGGSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1nnc(C(=O)N(CCO)CCNCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581841303 1075820621 /nfs/dbraw/zinc/82/06/21/1075820621.db2.gz VYIWXHBQLIPHNQ-UHFFFAOYSA-N 0 1 390.383 -1.246 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)n1 ZINC001581842057 1075820588 /nfs/dbraw/zinc/82/05/88/1075820588.db2.gz BPTTVHUPJHCPCL-BDAKNGLRSA-N 0 1 382.392 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)n1 ZINC001581842058 1075820539 /nfs/dbraw/zinc/82/05/39/1075820539.db2.gz BPTTVHUPJHCPCL-DTWKUNHWSA-N 0 1 382.392 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)n1 ZINC001581842059 1075820607 /nfs/dbraw/zinc/82/06/07/1075820607.db2.gz BPTTVHUPJHCPCL-IUCAKERBSA-N 0 1 382.392 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)n1 ZINC001581842060 1075820638 /nfs/dbraw/zinc/82/06/38/1075820638.db2.gz BPTTVHUPJHCPCL-RKDXNWHRSA-N 0 1 382.392 -1.245 20 0 GAADMN Cn1nnc(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001581842258 1075821261 /nfs/dbraw/zinc/82/12/61/1075821261.db2.gz IFDAUQLLQXYCHF-SECBINFHSA-N 0 1 376.356 -1.590 20 0 GAADMN Cn1nnc(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001581842259 1075821293 /nfs/dbraw/zinc/82/12/93/1075821293.db2.gz IFDAUQLLQXYCHF-VIFPVBQESA-N 0 1 376.356 -1.590 20 0 GAADMN Cn1nnc(C(=O)NC2(CNc3ccncc3-c3nn[nH]n3)CCOCC2)n1 ZINC001581842293 1075821178 /nfs/dbraw/zinc/82/11/78/1075821178.db2.gz JHZPIZZMRFWNTH-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1nnc(C(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001581842311 1075821254 /nfs/dbraw/zinc/82/12/54/1075821254.db2.gz JSCPSIRZMFIBNW-JTQLQIEISA-N 0 1 376.356 -1.590 20 0 GAADMN Cn1nnc(C(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001581842312 1075821170 /nfs/dbraw/zinc/82/11/70/1075821170.db2.gz JSCPSIRZMFIBNW-SNVBAGLBSA-N 0 1 376.356 -1.590 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581842359 1075821247 /nfs/dbraw/zinc/82/12/47/1075821247.db2.gz LECAQLDZUROMJN-CHWSQXEVSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581842360 1075821206 /nfs/dbraw/zinc/82/12/06/1075821206.db2.gz LECAQLDZUROMJN-OLZOCXBDSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581842361 1075821148 /nfs/dbraw/zinc/82/11/48/1075821148.db2.gz LECAQLDZUROMJN-QWHCGFSZSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581842362 1075821286 /nfs/dbraw/zinc/82/12/86/1075821286.db2.gz LECAQLDZUROMJN-STQMWFEESA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)NC2(CO)CCN(c3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001581842430 1075821566 /nfs/dbraw/zinc/82/15/66/1075821566.db2.gz NDWJMLMSXBRNOV-UHFFFAOYSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)n1 ZINC001581842519 1075821707 /nfs/dbraw/zinc/82/17/07/1075821707.db2.gz PMBSBWOUHCWLOL-CHWSQXEVSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)n1 ZINC001581842520 1075821682 /nfs/dbraw/zinc/82/16/82/1075821682.db2.gz PMBSBWOUHCWLOL-OLZOCXBDSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)n1 ZINC001581842521 1075821488 /nfs/dbraw/zinc/82/14/88/1075821488.db2.gz PMBSBWOUHCWLOL-QWHCGFSZSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)n1 ZINC001581842522 1075821552 /nfs/dbraw/zinc/82/15/52/1075821552.db2.gz PMBSBWOUHCWLOL-STQMWFEESA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)n1 ZINC001581842633 1075821952 /nfs/dbraw/zinc/82/19/52/1075821952.db2.gz SZCPKTVXBSZXHY-AEJSXWLSSA-N 0 1 382.392 -1.033 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)n1 ZINC001581842634 1075822040 /nfs/dbraw/zinc/82/20/40/1075822040.db2.gz SZCPKTVXBSZXHY-GUBZILKMSA-N 0 1 382.392 -1.033 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581842749 1075822009 /nfs/dbraw/zinc/82/20/09/1075822009.db2.gz XFHIIPIOWOREDR-CHWSQXEVSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581842750 1075821981 /nfs/dbraw/zinc/82/19/81/1075821981.db2.gz XFHIIPIOWOREDR-OLZOCXBDSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581842751 1075821939 /nfs/dbraw/zinc/82/19/39/1075821939.db2.gz XFHIIPIOWOREDR-QWHCGFSZSA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581842752 1075822037 /nfs/dbraw/zinc/82/20/37/1075822037.db2.gz XFHIIPIOWOREDR-STQMWFEESA-N 0 1 384.404 -1.245 20 0 GAADMN Cn1nnc(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[nH]n4)n2)C3)n1 ZINC001581842781 1075822169 /nfs/dbraw/zinc/82/21/69/1075822169.db2.gz YENSXWIZCKVMIG-UHFFFAOYSA-N 0 1 382.392 -1.245 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)n1 ZINC001581844016 1075822931 /nfs/dbraw/zinc/82/29/31/1075822931.db2.gz DEKIOHODQRWWTD-HNNXBMFYSA-N 0 1 382.392 -1.077 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)n1 ZINC001581844017 1075822835 /nfs/dbraw/zinc/82/28/35/1075822835.db2.gz DEKIOHODQRWWTD-OAHLLOKOSA-N 0 1 382.392 -1.077 20 0 GAADMN Cn1nnc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCOCC2)n1 ZINC001581844073 1075822956 /nfs/dbraw/zinc/82/29/56/1075822956.db2.gz YFFZXYPZCRWZPL-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581844116 1075823017 /nfs/dbraw/zinc/82/30/17/1075823017.db2.gz FJTUKWGQFGRWPV-NXEZZACHSA-N 0 1 382.392 -1.079 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581844117 1075823352 /nfs/dbraw/zinc/82/33/52/1075823352.db2.gz FJTUKWGQFGRWPV-UWVGGRQHSA-N 0 1 382.392 -1.079 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581844118 1075823264 /nfs/dbraw/zinc/82/32/64/1075823264.db2.gz FJTUKWGQFGRWPV-VHSXEESVSA-N 0 1 382.392 -1.079 20 0 GAADMN Cn1nnc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581844119 1075823192 /nfs/dbraw/zinc/82/31/92/1075823192.db2.gz FJTUKWGQFGRWPV-ZJUUUORDSA-N 0 1 382.392 -1.079 20 0 GAADMN Cn1nnc(C(=O)N2CCC(CCNc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001581844128 1075823206 /nfs/dbraw/zinc/82/32/06/1075823206.db2.gz FTDQSDTWTRXUAX-UHFFFAOYSA-N 0 1 384.408 -1.044 20 0 GAADMN Cn1nnc(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001581844132 1075823311 /nfs/dbraw/zinc/82/33/11/1075823311.db2.gz GGCUXNKCGDYZOE-UHFFFAOYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1nnc(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)n1 ZINC001581844214 1075823295 /nfs/dbraw/zinc/82/32/95/1075823295.db2.gz JQLIWUJYTYDWLZ-VHSXEESVSA-N 0 1 382.392 -1.079 20 0 GAADMN Cn1nnc(C(=O)N2CCC[C@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581844221 1075823234 /nfs/dbraw/zinc/82/32/34/1075823234.db2.gz JSJSHFPLKYSDPZ-HNNXBMFYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1nnc(C(=O)N2CCC[C@@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581844222 1075823303 /nfs/dbraw/zinc/82/33/03/1075823303.db2.gz JSJSHFPLKYSDPZ-OAHLLOKOSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1nnc(C(=O)N2CCCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581844428 1075823627 /nfs/dbraw/zinc/82/36/27/1075823627.db2.gz SQRRNTQFPAXRMA-JTQLQIEISA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1nnc(C(=O)N2CCCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001581844429 1075823620 /nfs/dbraw/zinc/82/36/20/1075823620.db2.gz SQRRNTQFPAXRMA-SNVBAGLBSA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1nnc(C(=O)N2CCC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581844546 1075824014 /nfs/dbraw/zinc/82/40/14/1075824014.db2.gz YWXLZOXQRDWSHY-JTQLQIEISA-N 0 1 384.408 -1.044 20 0 GAADMN Cn1nnc(C(=O)N2CCC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581844547 1075823908 /nfs/dbraw/zinc/82/39/08/1075823908.db2.gz YWXLZOXQRDWSHY-SNVBAGLBSA-N 0 1 384.408 -1.044 20 0 GAADMN Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(c2ccnc(-c4nn[nH]n4)n2)C3)n1 ZINC001581844850 1075824630 /nfs/dbraw/zinc/82/46/30/1075824630.db2.gz NDQMVKZOSXJGNC-VFZGTOFNSA-N 0 1 382.392 -1.031 20 0 GAADMN Cn1nncc1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581845582 1075824956 /nfs/dbraw/zinc/82/49/56/1075824956.db2.gz FAHOXRSOGYVDAR-HNNXBMFYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1nncc1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581845583 1075825163 /nfs/dbraw/zinc/82/51/63/1075825163.db2.gz FAHOXRSOGYVDAR-OAHLLOKOSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1nncc1C(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581845591 1075825171 /nfs/dbraw/zinc/82/51/71/1075825171.db2.gz FGDSDMIIXMDPKK-INIZCTEOSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1nncc1C(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581845592 1075825133 /nfs/dbraw/zinc/82/51/33/1075825133.db2.gz FGDSDMIIXMDPKK-MRXNPFEDSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1nnc2c1nccc2C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581846008 1075825518 /nfs/dbraw/zinc/82/55/18/1075825518.db2.gz RYNIJXQYBPCQDM-UHFFFAOYSA-N 0 1 380.376 -1.013 20 0 GAADMN Cn1nncc1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581846067 1075825363 /nfs/dbraw/zinc/82/53/63/1075825363.db2.gz UXDJVSTUVYDLOD-UHFFFAOYSA-N 0 1 385.392 -1.714 20 0 GAADMN Cn1nncc1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001581846262 1075825904 /nfs/dbraw/zinc/82/59/04/1075825904.db2.gz BSMJBGQMNHFFET-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1nncc1C(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581846521 1075826155 /nfs/dbraw/zinc/82/61/55/1075826155.db2.gz MGTSTRONGLDLEW-HNNXBMFYSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1nncc1C(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581846522 1075826278 /nfs/dbraw/zinc/82/62/78/1075826278.db2.gz MGTSTRONGLDLEW-OAHLLOKOSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1nncc1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581846538 1075826084 /nfs/dbraw/zinc/82/60/84/1075826084.db2.gz MZRWGAPMOJNKGP-UHFFFAOYSA-N 0 1 385.392 -1.454 20 0 GAADMN Cn1nncc1C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581846618 1075826139 /nfs/dbraw/zinc/82/61/39/1075826139.db2.gz QQSHXHJMYLDAAZ-JTQLQIEISA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1nncc1C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581846619 1075826287 /nfs/dbraw/zinc/82/62/87/1075826287.db2.gz QQSHXHJMYLDAAZ-SNVBAGLBSA-N 0 1 385.392 -1.450 20 0 GAADMN Cn1nncc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001581847462 1075826096 /nfs/dbraw/zinc/82/60/96/1075826096.db2.gz KPYFXLGVGUFWGH-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1nncc1C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001581848016 1075827053 /nfs/dbraw/zinc/82/70/53/1075827053.db2.gz XTPDSICWSWRPRK-HNNXBMFYSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1nncc1C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001581848017 1075826913 /nfs/dbraw/zinc/82/69/13/1075826913.db2.gz XTPDSICWSWRPRK-OAHLLOKOSA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1nncc1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001581848346 1075826943 /nfs/dbraw/zinc/82/69/43/1075826943.db2.gz NKTWGLRWNDDRQI-JTQLQIEISA-N 0 1 385.392 -1.190 20 0 GAADMN Cn1nncc1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001581848347 1075826901 /nfs/dbraw/zinc/82/69/01/1075826901.db2.gz NKTWGLRWNDDRQI-SNVBAGLBSA-N 0 1 385.392 -1.190 20 0 GAADMN NC(=O)C(=O)NCCCCC[NH+]1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001581886472 1075828479 /nfs/dbraw/zinc/82/84/79/1075828479.db2.gz AUBPIEQKTHGGRS-UHFFFAOYSA-N 0 1 388.436 -1.450 20 0 GAADMN NC(=O)C(=O)NCCCCC[NH+]1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001581886472 1075828474 /nfs/dbraw/zinc/82/84/74/1075828474.db2.gz AUBPIEQKTHGGRS-UHFFFAOYSA-N 0 1 388.436 -1.450 20 0 GAADMN NC(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001581886853 1075828461 /nfs/dbraw/zinc/82/84/61/1075828461.db2.gz JZADMOUPMCXOFJ-KGLIPLIRSA-N 0 1 386.416 -1.023 20 0 GAADMN NC(=O)C1(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)CC1 ZINC001581887284 1075829012 /nfs/dbraw/zinc/82/90/12/1075829012.db2.gz JEILXVXVMBPMNZ-UHFFFAOYSA-N 0 1 386.416 -1.286 20 0 GAADMN NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001581887867 1075829078 /nfs/dbraw/zinc/82/90/78/1075829078.db2.gz RWLJSTRCJSXRDU-UHFFFAOYSA-N 0 1 388.436 -1.209 20 0 GAADMN NC(=O)C1(C(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001581888140 1075829251 /nfs/dbraw/zinc/82/92/51/1075829251.db2.gz XNTPKVDCHSAZRD-LLVKDONJSA-N 0 1 377.380 -1.162 20 0 GAADMN NC(=O)C1(C(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001581888141 1075829239 /nfs/dbraw/zinc/82/92/39/1075829239.db2.gz XNTPKVDCHSAZRD-NSHDSACASA-N 0 1 377.380 -1.162 20 0 GAADMN NC(=O)C1CC2(C1)C[C@@H](Nc1ccnc(-c3nn[nH]n3)n1)CCS2(=O)=O ZINC001581888827 1075829700 /nfs/dbraw/zinc/82/97/00/1075829700.db2.gz SSVRXSCHFYTOKL-PUUHTONNSA-N 0 1 378.418 -1.298 20 0 GAADMN NC(=O)C1CC2(C1)C[C@H](Nc1ccnc(-c3nn[nH]n3)n1)CCS2(=O)=O ZINC001581888828 1075829537 /nfs/dbraw/zinc/82/95/37/1075829537.db2.gz SSVRXSCHFYTOKL-ZYTOWTHASA-N 0 1 378.418 -1.298 20 0 GAADMN NC(=O)[C@H]1CN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001581890237 1075830038 /nfs/dbraw/zinc/83/00/38/1075830038.db2.gz HYFWLUWJBIAANI-FRRDWIJNSA-N 0 1 384.400 -1.509 20 0 GAADMN NC(=O)[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001581890238 1075830029 /nfs/dbraw/zinc/83/00/29/1075830029.db2.gz HYFWLUWJBIAANI-JHJVBQTASA-N 0 1 384.400 -1.509 20 0 GAADMN NC(=O)[C@@H]1CN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001581890239 1075830021 /nfs/dbraw/zinc/83/00/21/1075830021.db2.gz HYFWLUWJBIAANI-UPJWGTAASA-N 0 1 384.400 -1.509 20 0 GAADMN NC(=O)[C@H]1CN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001581890240 1075829975 /nfs/dbraw/zinc/82/99/75/1075829975.db2.gz HYFWLUWJBIAANI-XQQFMLRXSA-N 0 1 384.400 -1.509 20 0 GAADMN NC(=O)CCCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581892096 1075830019 /nfs/dbraw/zinc/83/00/19/1075830019.db2.gz GKUOJAJGPJPMCX-JTQLQIEISA-N 0 1 375.393 -1.627 20 0 GAADMN NC(=O)CCCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581892097 1075830126 /nfs/dbraw/zinc/83/01/26/1075830126.db2.gz GKUOJAJGPJPMCX-SNVBAGLBSA-N 0 1 375.393 -1.627 20 0 GAADMN NC(=O)CCCC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581892582 1075830569 /nfs/dbraw/zinc/83/05/69/1075830569.db2.gz VWULKFRRCBQBLV-LLVKDONJSA-N 0 1 389.420 -1.236 20 0 GAADMN NC(=O)CCCC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581892583 1075830558 /nfs/dbraw/zinc/83/05/58/1075830558.db2.gz VWULKFRRCBQBLV-NSHDSACASA-N 0 1 389.420 -1.236 20 0 GAADMN NC(=O)CCCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581892899 1075830544 /nfs/dbraw/zinc/83/05/44/1075830544.db2.gz FFLUXSKOMAZENS-UHFFFAOYSA-N 0 1 388.436 -1.450 20 0 GAADMN NC(=O)CCCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001581893336 1075830852 /nfs/dbraw/zinc/83/08/52/1075830852.db2.gz RXRRUBKFWADVJN-JTQLQIEISA-N 0 1 375.393 -1.366 20 0 GAADMN NC(=O)CCCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001581893337 1075830866 /nfs/dbraw/zinc/83/08/66/1075830866.db2.gz RXRRUBKFWADVJN-SNVBAGLBSA-N 0 1 375.393 -1.366 20 0 GAADMN NC(=O)CCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001581893481 1075830979 /nfs/dbraw/zinc/83/09/79/1075830979.db2.gz WLVXLHFAZARNJW-JTQLQIEISA-N 0 1 375.393 -1.366 20 0 GAADMN NC(=O)CCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001581893482 1075830998 /nfs/dbraw/zinc/83/09/98/1075830998.db2.gz WLVXLHFAZARNJW-SNVBAGLBSA-N 0 1 375.393 -1.366 20 0 GAADMN NC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001581895567 1075831282 /nfs/dbraw/zinc/83/12/82/1075831282.db2.gz ODSWJUBMRMLQQQ-MNOVXSKESA-N 0 1 386.420 -1.118 20 0 GAADMN NC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001581895568 1075831320 /nfs/dbraw/zinc/83/13/20/1075831320.db2.gz ODSWJUBMRMLQQQ-QWRGUYRKSA-N 0 1 386.420 -1.118 20 0 GAADMN NC(=O)N1CCC[C@H](C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001581895675 1075831211 /nfs/dbraw/zinc/83/12/11/1075831211.db2.gz SHDHNZVPBPEMKV-JTQLQIEISA-N 0 1 386.420 -1.070 20 0 GAADMN NC(=O)N1CCC[C@@H](C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001581895676 1075831332 /nfs/dbraw/zinc/83/13/32/1075831332.db2.gz SHDHNZVPBPEMKV-SNVBAGLBSA-N 0 1 386.420 -1.070 20 0 GAADMN NC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001581895700 1075831309 /nfs/dbraw/zinc/83/13/09/1075831309.db2.gz TZHFBXMPZRPYQV-GARJFASQSA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001581895701 1075831239 /nfs/dbraw/zinc/83/12/39/1075831239.db2.gz TZHFBXMPZRPYQV-MXWKQRLJSA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581895930 1075831619 /nfs/dbraw/zinc/83/16/19/1075831619.db2.gz GBJYIPDMDRQRBP-ILDUYXDCSA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001581895963 1075831706 /nfs/dbraw/zinc/83/17/06/1075831706.db2.gz HTKAATZGFITLOD-DCAQKATOSA-N 0 1 384.404 -1.011 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001581896066 1075831666 /nfs/dbraw/zinc/83/16/66/1075831666.db2.gz LXINBAVHLJOWLB-MIZYBKAJSA-N 0 1 384.404 -1.249 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001581896102 1075831530 /nfs/dbraw/zinc/83/15/30/1075831530.db2.gz NLSKFZQAQLIBCF-ZDUSSCGKSA-N 0 1 389.420 -1.541 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581896120 1075831549 /nfs/dbraw/zinc/83/15/49/1075831549.db2.gz OCHSIGCRIPCFSO-DCAQKATOSA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581896121 1075831712 /nfs/dbraw/zinc/83/17/12/1075831712.db2.gz OCHSIGCRIPCFSO-ILDUYXDCSA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001581896159 1075831879 /nfs/dbraw/zinc/83/18/79/1075831879.db2.gz QAQHBCXEMQFLBP-MNOVXSKESA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001581896160 1075832081 /nfs/dbraw/zinc/83/20/81/1075832081.db2.gz QAQHBCXEMQFLBP-QWRGUYRKSA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001581896349 1075831916 /nfs/dbraw/zinc/83/19/16/1075831916.db2.gz VFSABHZNDXEDCB-MNOVXSKESA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001581896350 1075832437 /nfs/dbraw/zinc/83/24/37/1075832437.db2.gz VFSABHZNDXEDCB-QWRGUYRKSA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001581896585 1075832285 /nfs/dbraw/zinc/83/22/85/1075832285.db2.gz HJGPKTIOVKZHHW-KOLCDFICSA-N 0 1 387.404 -1.216 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001581896690 1075832882 /nfs/dbraw/zinc/83/28/82/1075832882.db2.gz LOVRUEUPKGLWNC-INIZCTEOSA-N 0 1 387.404 -1.072 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001581896691 1075832795 /nfs/dbraw/zinc/83/27/95/1075832795.db2.gz LOVRUEUPKGLWNC-MRXNPFEDSA-N 0 1 387.404 -1.072 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 ZINC001581896711 1075832891 /nfs/dbraw/zinc/83/28/91/1075832891.db2.gz MPQHTYZDDAOWRT-BXKDBHETSA-N 0 1 387.404 -1.074 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 ZINC001581896712 1075832588 /nfs/dbraw/zinc/83/25/88/1075832588.db2.gz MPQHTYZDDAOWRT-CABZTGNLSA-N 0 1 387.404 -1.074 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 ZINC001581896713 1075832845 /nfs/dbraw/zinc/83/28/45/1075832845.db2.gz MPQHTYZDDAOWRT-JOYOIKCWSA-N 0 1 387.404 -1.074 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 ZINC001581896714 1075832829 /nfs/dbraw/zinc/83/28/29/1075832829.db2.gz MPQHTYZDDAOWRT-SKDRFNHKSA-N 0 1 387.404 -1.074 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1 ZINC001581896820 1075832636 /nfs/dbraw/zinc/83/26/36/1075832636.db2.gz PFLRKFUSFOJRPH-ZJUUUORDSA-N 0 1 387.404 -1.216 20 0 GAADMN NC(=O)NC(=O)CN1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001581896902 1075833169 /nfs/dbraw/zinc/83/31/69/1075833169.db2.gz SECQYAOGOKAFJR-UHFFFAOYSA-N 0 1 387.404 -1.072 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC001581897071 1075833097 /nfs/dbraw/zinc/83/30/97/1075833097.db2.gz ZBDHTBDRTVAAOC-BXKDBHETSA-N 0 1 387.404 -1.074 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC001581897072 1075833116 /nfs/dbraw/zinc/83/31/16/1075833116.db2.gz ZBDHTBDRTVAAOC-CABZTGNLSA-N 0 1 387.404 -1.074 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC001581897073 1075833175 /nfs/dbraw/zinc/83/31/75/1075833175.db2.gz ZBDHTBDRTVAAOC-JOYOIKCWSA-N 0 1 387.404 -1.074 20 0 GAADMN NC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC001581897074 1075833130 /nfs/dbraw/zinc/83/31/30/1075833130.db2.gz ZBDHTBDRTVAAOC-SKDRFNHKSA-N 0 1 387.404 -1.074 20 0 GAADMN NC(=O)NC(=O)CN1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001581897083 1075833090 /nfs/dbraw/zinc/83/30/90/1075833090.db2.gz ZHUFFFSOVLPECL-UHFFFAOYSA-N 0 1 387.404 -1.072 20 0 GAADMN NC(=O)NCCC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581897115 1075833522 /nfs/dbraw/zinc/83/35/22/1075833522.db2.gz ADTPFMKVUYCEJG-LLVKDONJSA-N 0 1 389.420 -1.229 20 0 GAADMN NC(=O)NCCC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581897116 1075833534 /nfs/dbraw/zinc/83/35/34/1075833534.db2.gz ADTPFMKVUYCEJG-NSHDSACASA-N 0 1 389.420 -1.229 20 0 GAADMN NC(=O)NCCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001581897448 1075834043 /nfs/dbraw/zinc/83/40/43/1075834043.db2.gz NBPVTJJIXWDMEW-KBPBESRZSA-N 0 1 388.432 -1.024 20 0 GAADMN NC(=O)NCCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001581897449 1075834010 /nfs/dbraw/zinc/83/40/10/1075834010.db2.gz NBPVTJJIXWDMEW-KGLIPLIRSA-N 0 1 388.432 -1.024 20 0 GAADMN NC(=O)NCCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001581897450 1075833886 /nfs/dbraw/zinc/83/38/86/1075833886.db2.gz NBPVTJJIXWDMEW-UONOGXRCSA-N 0 1 388.432 -1.024 20 0 GAADMN NC(=O)NCCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001581897451 1075833982 /nfs/dbraw/zinc/83/39/82/1075833982.db2.gz NBPVTJJIXWDMEW-ZIAGYGMSSA-N 0 1 388.432 -1.024 20 0 GAADMN NC(=O)NCCC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581897643 1075833999 /nfs/dbraw/zinc/83/39/99/1075833999.db2.gz UUCBAZUJWXILJR-JTQLQIEISA-N 0 1 375.393 -1.619 20 0 GAADMN NC(=O)NCCC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581897644 1075833957 /nfs/dbraw/zinc/83/39/57/1075833957.db2.gz UUCBAZUJWXILJR-SNVBAGLBSA-N 0 1 375.393 -1.619 20 0 GAADMN NC(=O)NCCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001581897687 1075834029 /nfs/dbraw/zinc/83/40/29/1075834029.db2.gz WBWCAOBOZHDIME-MNOVXSKESA-N 0 1 386.420 -1.000 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001581898251 1075834872 /nfs/dbraw/zinc/83/48/72/1075834872.db2.gz DOXZOPOPONZOLP-GARJFASQSA-N 0 1 387.404 -1.486 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001581898252 1075834580 /nfs/dbraw/zinc/83/45/80/1075834580.db2.gz DOXZOPOPONZOLP-OUAUKWLOSA-N 0 1 387.404 -1.486 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001581898831 1075835256 /nfs/dbraw/zinc/83/52/56/1075835256.db2.gz RHZDKTMYTLXFBE-NEPJUHHUSA-N 0 1 388.432 -1.182 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)O1 ZINC001581898876 1075835170 /nfs/dbraw/zinc/83/51/70/1075835170.db2.gz STALIJVLBSYKLV-GARJFASQSA-N 0 1 387.404 -1.486 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)O1 ZINC001581898878 1075835181 /nfs/dbraw/zinc/83/51/81/1075835181.db2.gz STALIJVLBSYKLV-OUAUKWLOSA-N 0 1 387.404 -1.486 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)O1 ZINC001581898962 1075835078 /nfs/dbraw/zinc/83/50/78/1075835078.db2.gz VPKBZBBBHRJRGZ-WDEREUQCSA-N 0 1 387.404 -1.486 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581899087 1075835556 /nfs/dbraw/zinc/83/55/56/1075835556.db2.gz BPMNQSQOWHZKFT-RLFDGXBXSA-N 0 1 386.416 -1.430 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581899088 1075835612 /nfs/dbraw/zinc/83/56/12/1075835612.db2.gz BPMNQSQOWHZKFT-VGTOOOLASA-N 0 1 386.416 -1.430 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001581899218 1075835619 /nfs/dbraw/zinc/83/56/19/1075835619.db2.gz HYUUIGDMPSRJDV-MNOVXSKESA-N 0 1 386.416 -1.430 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)O1 ZINC001581899586 1075835602 /nfs/dbraw/zinc/83/56/02/1075835602.db2.gz WXPCHNCJPBBLDM-SZZQBSIJSA-N 0 1 384.400 -1.155 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581899694 1075835812 /nfs/dbraw/zinc/83/58/12/1075835812.db2.gz CXLSPVPGEPCNCI-TUAOUCFPSA-N 0 1 386.416 -1.166 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581899695 1075836060 /nfs/dbraw/zinc/83/60/60/1075836060.db2.gz CXLSPVPGEPCNCI-UTUOFQBUSA-N 0 1 386.416 -1.166 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581899971 1075836035 /nfs/dbraw/zinc/83/60/35/1075836035.db2.gz MHYPKEJRQARRRV-AXFHLTTASA-N 0 1 387.404 -1.771 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581899972 1075835843 /nfs/dbraw/zinc/83/58/43/1075835843.db2.gz MHYPKEJRQARRRV-MXWKQRLJSA-N 0 1 387.404 -1.771 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001581900248 1075836257 /nfs/dbraw/zinc/83/62/57/1075836257.db2.gz WDVIXPFCOFIUSF-MNOVXSKESA-N 0 1 386.416 -1.169 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001581900889 1075836620 /nfs/dbraw/zinc/83/66/20/1075836620.db2.gz CAGNBQOFPHESLI-TUAOUCFPSA-N 0 1 377.380 -1.306 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001581900890 1075836687 /nfs/dbraw/zinc/83/66/87/1075836687.db2.gz CAGNBQOFPHESLI-UTUOFQBUSA-N 0 1 377.380 -1.306 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)O1 ZINC001581901735 1075836978 /nfs/dbraw/zinc/83/69/78/1075836978.db2.gz AGJRVMNFPOWFTM-XWLWVQCSSA-N 0 1 385.388 -1.521 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)O1 ZINC001581901913 1075837424 /nfs/dbraw/zinc/83/74/24/1075837424.db2.gz JCRGDOJNXYKQSB-GARJFASQSA-N 0 1 387.404 -1.225 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)O1 ZINC001581901914 1075837897 /nfs/dbraw/zinc/83/78/97/1075837897.db2.gz JCRGDOJNXYKQSB-OUAUKWLOSA-N 0 1 387.404 -1.225 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)O1 ZINC001581901941 1075837809 /nfs/dbraw/zinc/83/78/09/1075837809.db2.gz KXJFMIRDZNQWBD-WDEREUQCSA-N 0 1 387.404 -1.225 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)O1 ZINC001581902476 1075837788 /nfs/dbraw/zinc/83/77/88/1075837788.db2.gz SFGFWKQAAWHWFS-WDEREUQCSA-N 0 1 387.404 -1.225 20 0 GAADMN NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1 ZINC001581903812 1075838068 /nfs/dbraw/zinc/83/80/68/1075838068.db2.gz ZOTUHOPXSLFNBH-JTQLQIEISA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1 ZINC001581903813 1075838198 /nfs/dbraw/zinc/83/81/98/1075838198.db2.gz ZOTUHOPXSLFNBH-SNVBAGLBSA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001581904081 1075838127 /nfs/dbraw/zinc/83/81/27/1075838127.db2.gz NWDSUKJVQKCYHZ-SNVBAGLBSA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581905198 1075838156 /nfs/dbraw/zinc/83/81/56/1075838156.db2.gz WLVMNLGMLZORTE-SECBINFHSA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001581905199 1075838260 /nfs/dbraw/zinc/83/82/60/1075838260.db2.gz WLVMNLGMLZORTE-VIFPVBQESA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1ccnc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001581905409 1075838273 /nfs/dbraw/zinc/83/82/73/1075838273.db2.gz ICXMPNWLDHXARH-JTQLQIEISA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1ccnc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001581905410 1075838163 /nfs/dbraw/zinc/83/81/63/1075838163.db2.gz ICXMPNWLDHXARH-SNVBAGLBSA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1nccnc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581906415 1075838477 /nfs/dbraw/zinc/83/84/77/1075838477.db2.gz RNNXYMMLLALOFV-SECBINFHSA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1nccnc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581906416 1075838443 /nfs/dbraw/zinc/83/84/43/1075838443.db2.gz RNNXYMMLLALOFV-VIFPVBQESA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1ncccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581906597 1075838592 /nfs/dbraw/zinc/83/85/92/1075838592.db2.gz UUVZADIKOBZLMF-SECBINFHSA-N 0 1 380.372 -1.101 20 0 GAADMN NC(=O)c1ncccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581906599 1075838670 /nfs/dbraw/zinc/83/86/70/1075838670.db2.gz UUVZADIKOBZLMF-VIFPVBQESA-N 0 1 380.372 -1.101 20 0 GAADMN NS(=O)(=O)CCCC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581906745 1075838469 /nfs/dbraw/zinc/83/84/69/1075838469.db2.gz AOECOQKIUDAMPZ-UHFFFAOYSA-N 0 1 381.422 -1.626 20 0 GAADMN NS(=O)(=O)CCCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581907045 1075838616 /nfs/dbraw/zinc/83/86/16/1075838616.db2.gz NELOISGXRUAKCP-JTQLQIEISA-N 0 1 380.434 -1.235 20 0 GAADMN NS(=O)(=O)CCCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581907046 1075838561 /nfs/dbraw/zinc/83/85/61/1075838561.db2.gz NELOISGXRUAKCP-SNVBAGLBSA-N 0 1 380.434 -1.235 20 0 GAADMN NS(=O)(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581907047 1075838404 /nfs/dbraw/zinc/83/84/04/1075838404.db2.gz NFXZVWVJSVRVQH-AOOOYVTPSA-N 0 1 380.434 -1.189 20 0 GAADMN NS(=O)(=O)CCCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581907048 1075839050 /nfs/dbraw/zinc/83/90/50/1075839050.db2.gz NFXZVWVJSVRVQH-MGCOHNPYSA-N 0 1 380.434 -1.189 20 0 GAADMN NS(=O)(=O)c1cccc2c1CCN(C(=O)Cn1cnc(-c3nn[nH]n3)n1)C2 ZINC001581908306 1075839304 /nfs/dbraw/zinc/83/93/04/1075839304.db2.gz CJRWXYLXARYREE-UHFFFAOYSA-N 0 1 389.401 -1.310 20 0 GAADMN O=C(C1=COCCO1)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581917589 1075839289 /nfs/dbraw/zinc/83/92/89/1075839289.db2.gz HXKJGWPRUUXVBT-LLVKDONJSA-N 0 1 388.388 -1.004 20 0 GAADMN O=C(C1=COCCO1)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581917590 1075839352 /nfs/dbraw/zinc/83/93/52/1075839352.db2.gz HXKJGWPRUUXVBT-NSHDSACASA-N 0 1 388.388 -1.004 20 0 GAADMN O=C(C1CCC(O)CC1)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001581930895 1075839796 /nfs/dbraw/zinc/83/97/96/1075839796.db2.gz VOSPYLFEPPTQGD-UHFFFAOYSA-N 0 1 376.421 -1.138 20 0 GAADMN O=C([C@H]1CCCS1(=O)=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581943034 1075839657 /nfs/dbraw/zinc/83/96/57/1075839657.db2.gz HFFQMWAIMSYEDM-GHMZBOCLSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581943035 1075839752 /nfs/dbraw/zinc/83/97/52/1075839752.db2.gz HFFQMWAIMSYEDM-MNOVXSKESA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581943036 1075839835 /nfs/dbraw/zinc/83/98/35/1075839835.db2.gz HFFQMWAIMSYEDM-QWRGUYRKSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@H]1CCCS1(=O)=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581943037 1075839877 /nfs/dbraw/zinc/83/98/77/1075839877.db2.gz HFFQMWAIMSYEDM-WDEREUQCSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581943254 1075839701 /nfs/dbraw/zinc/83/97/01/1075839701.db2.gz NJVJEYRNYPSFNU-NXEZZACHSA-N 0 1 378.418 -1.331 20 0 GAADMN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581943255 1075839688 /nfs/dbraw/zinc/83/96/88/1075839688.db2.gz NJVJEYRNYPSFNU-ZJUUUORDSA-N 0 1 378.418 -1.331 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001581946832 1075839887 /nfs/dbraw/zinc/83/98/87/1075839887.db2.gz AAEMADPTVLZEFP-GWCFXTLKSA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001581946838 1075840257 /nfs/dbraw/zinc/84/02/57/1075840257.db2.gz AAEMADPTVLZEFP-GXFFZTMASA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001581946840 1075840238 /nfs/dbraw/zinc/84/02/38/1075840238.db2.gz AAEMADPTVLZEFP-MFKMUULPSA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001581946842 1075840156 /nfs/dbraw/zinc/84/01/56/1075840156.db2.gz AAEMADPTVLZEFP-ZWNOBZJWSA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001581946980 1075840076 /nfs/dbraw/zinc/84/00/76/1075840076.db2.gz CYIPYRRHGAIUPB-DCAQKATOSA-N 0 1 390.429 -1.119 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001581946981 1075840182 /nfs/dbraw/zinc/84/01/82/1075840182.db2.gz CYIPYRRHGAIUPB-VWYCJHECSA-N 0 1 390.429 -1.119 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001581947796 1075840590 /nfs/dbraw/zinc/84/05/90/1075840590.db2.gz MYHXSQOTYFGYAX-CYBMUJFWSA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001581947797 1075840494 /nfs/dbraw/zinc/84/04/94/1075840494.db2.gz MYHXSQOTYFGYAX-ZDUSSCGKSA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581948120 1075840976 /nfs/dbraw/zinc/84/09/76/1075840976.db2.gz QYFAIXYBGOWDBU-GHMZBOCLSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581948121 1075840863 /nfs/dbraw/zinc/84/08/63/1075840863.db2.gz QYFAIXYBGOWDBU-MNOVXSKESA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581948124 1075840928 /nfs/dbraw/zinc/84/09/28/1075840928.db2.gz QYFAIXYBGOWDBU-QWRGUYRKSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581948125 1075840879 /nfs/dbraw/zinc/84/08/79/1075840879.db2.gz QYFAIXYBGOWDBU-WDEREUQCSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581948133 1075840783 /nfs/dbraw/zinc/84/07/83/1075840783.db2.gz QZPCZQYGQLXVET-JTQLQIEISA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581948134 1075840843 /nfs/dbraw/zinc/84/08/43/1075840843.db2.gz QZPCZQYGQLXVET-SNVBAGLBSA-N 0 1 392.445 -1.084 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581948209 1075841067 /nfs/dbraw/zinc/84/10/67/1075841067.db2.gz VADJSVRVDXPRFR-GWCFXTLKSA-N 0 1 392.445 -1.364 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581948210 1075841003 /nfs/dbraw/zinc/84/10/03/1075841003.db2.gz VADJSVRVDXPRFR-GXFFZTMASA-N 0 1 392.445 -1.364 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581948211 1075840907 /nfs/dbraw/zinc/84/09/07/1075840907.db2.gz VADJSVRVDXPRFR-MFKMUULPSA-N 0 1 392.445 -1.364 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001581948212 1075840957 /nfs/dbraw/zinc/84/09/57/1075840957.db2.gz VADJSVRVDXPRFR-ZWNOBZJWSA-N 0 1 392.445 -1.364 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581948240 1075841228 /nfs/dbraw/zinc/84/12/28/1075841228.db2.gz WERXCNRHBARNGN-JTQLQIEISA-N 0 1 378.418 -1.260 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581948241 1075841184 /nfs/dbraw/zinc/84/11/84/1075841184.db2.gz WERXCNRHBARNGN-SNVBAGLBSA-N 0 1 378.418 -1.260 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581948249 1075841267 /nfs/dbraw/zinc/84/12/67/1075841267.db2.gz WPNONHCRBROTHL-GWCFXTLKSA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581948250 1075841237 /nfs/dbraw/zinc/84/12/37/1075841237.db2.gz WPNONHCRBROTHL-GXFFZTMASA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581948251 1075841259 /nfs/dbraw/zinc/84/12/59/1075841259.db2.gz WPNONHCRBROTHL-MFKMUULPSA-N 0 1 392.445 -1.222 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001581948252 1075841389 /nfs/dbraw/zinc/84/13/89/1075841389.db2.gz WPNONHCRBROTHL-ZWNOBZJWSA-N 0 1 392.445 -1.222 20 0 GAADMN 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20 0 GAADMN O=C(CCCn1cncn1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582052565 1075852655 /nfs/dbraw/zinc/85/26/55/1075852655.db2.gz QGYVVTIRCOCQQW-GHMZBOCLSA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCCn1cncn1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582052566 1075852645 /nfs/dbraw/zinc/85/26/45/1075852645.db2.gz QGYVVTIRCOCQQW-MNOVXSKESA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CC[NH+]1CCCCC1)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001582053604 1075854786 /nfs/dbraw/zinc/85/47/86/1075854786.db2.gz HVJJQZSUKPMUEQ-GFCCVEGCSA-N 0 1 375.437 -1.156 20 0 GAADMN O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001582053605 1075854702 /nfs/dbraw/zinc/85/47/02/1075854702.db2.gz HVJJQZSUKPMUEQ-LBPRGKRZSA-N 0 1 375.437 -1.156 20 0 GAADMN O=C(CCN1CCCC1=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582053610 1075854614 /nfs/dbraw/zinc/85/46/14/1075854614.db2.gz IEBFWHUOSVPNMK-MNOVXSKESA-N 0 1 387.404 -1.665 20 0 GAADMN O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001582053778 1075854758 /nfs/dbraw/zinc/85/47/58/1075854758.db2.gz OFXLWXFRTAVFTJ-GFCCVEGCSA-N 0 1 375.437 -1.156 20 0 GAADMN O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001582053779 1075854812 /nfs/dbraw/zinc/85/48/12/1075854812.db2.gz OFXLWXFRTAVFTJ-LBPRGKRZSA-N 0 1 375.437 -1.156 20 0 GAADMN O=C(CCOC1CCOCC1)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582054965 1075855099 /nfs/dbraw/zinc/85/50/99/1075855099.db2.gz AGVDZPOPUBZJBK-LLVKDONJSA-N 0 1 392.420 -1.447 20 0 GAADMN O=C(CCOC1CCOCC1)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582054966 1075855033 /nfs/dbraw/zinc/85/50/33/1075855033.db2.gz AGVDZPOPUBZJBK-NSHDSACASA-N 0 1 392.420 -1.447 20 0 GAADMN O=C(CCOC1CCOCC1)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582055176 1075854938 /nfs/dbraw/zinc/85/49/38/1075854938.db2.gz HGGODYVXTVQHLB-LLVKDONJSA-N 0 1 392.420 -1.447 20 0 GAADMN O=C(CCOC1CCOCC1)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582055177 1075855176 /nfs/dbraw/zinc/85/51/76/1075855176.db2.gz HGGODYVXTVQHLB-NSHDSACASA-N 0 1 392.420 -1.447 20 0 GAADMN O=C(CCOCC(F)(F)F)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582055589 1075855024 /nfs/dbraw/zinc/85/50/24/1075855024.db2.gz WVRONNWSASOLNH-MRVPVSSYSA-N 0 1 390.326 -1.063 20 0 GAADMN O=C(CCOCC(F)(F)F)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582055593 1075855088 /nfs/dbraw/zinc/85/50/88/1075855088.db2.gz WVRONNWSASOLNH-QMMMGPOBSA-N 0 1 390.326 -1.063 20 0 GAADMN O=C(CCOCC(F)F)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582055750 1075855145 /nfs/dbraw/zinc/85/51/45/1075855145.db2.gz ZYGLNMMEQJZEBJ-RKDXNWHRSA-N 0 1 384.347 -1.006 20 0 GAADMN O=C(CCc1c[nH]nn1)NC[C@@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001582057322 1075855110 /nfs/dbraw/zinc/85/51/10/1075855110.db2.gz BDFKQAKCHFODPN-LLVKDONJSA-N 0 1 385.392 -1.271 20 0 GAADMN O=C(CCc1c[nH]nn1)NC[C@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001582057323 1075854997 /nfs/dbraw/zinc/85/49/97/1075854997.db2.gz BDFKQAKCHFODPN-NSHDSACASA-N 0 1 385.392 -1.271 20 0 GAADMN O=C(CCc1c[nH]nn1)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 ZINC001582057406 1075854972 /nfs/dbraw/zinc/85/49/72/1075854972.db2.gz DRXWFPKAUORMAV-LLVKDONJSA-N 0 1 385.392 -1.271 20 0 GAADMN O=C(CCc1c[nH]nn1)NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 ZINC001582057407 1075855319 /nfs/dbraw/zinc/85/53/19/1075855319.db2.gz DRXWFPKAUORMAV-NSHDSACASA-N 0 1 385.392 -1.271 20 0 GAADMN O=C(CCc1c[nH]nn1)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001582057642 1075855355 /nfs/dbraw/zinc/85/53/55/1075855355.db2.gz ORIORVVEHSGZSL-NEPJUHHUSA-N 0 1 388.367 -1.183 20 0 GAADMN O=C(CCc1c[nH]nn1)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001582057643 1075855531 /nfs/dbraw/zinc/85/55/31/1075855531.db2.gz ORIORVVEHSGZSL-VXGBXAGGSA-N 0 1 388.367 -1.183 20 0 GAADMN O=C(CCc1c[nH]nn1)NC[C@@H]1COCCN1c1ccc(-c2nn[nH]n2)nn1 ZINC001582057799 1075855438 /nfs/dbraw/zinc/85/54/38/1075855438.db2.gz WEWUMRIBHOBVHA-LLVKDONJSA-N 0 1 385.392 -1.271 20 0 GAADMN O=C(CCc1c[nH]nn1)NC[C@H]1COCCN1c1ccc(-c2nn[nH]n2)nn1 ZINC001582057801 1075855463 /nfs/dbraw/zinc/85/54/63/1075855463.db2.gz WEWUMRIBHOBVHA-NSHDSACASA-N 0 1 385.392 -1.271 20 0 GAADMN O=C(CCc1cnc[nH]1)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582058833 1075855564 /nfs/dbraw/zinc/85/55/64/1075855564.db2.gz HPGUZGUMCRYHIC-UHFFFAOYSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(CCc1cnc[nH]1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582058945 1075855500 /nfs/dbraw/zinc/85/55/00/1075855500.db2.gz NWTVNLVVHRIQNP-CHWSQXEVSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(CCc1cnc[nH]1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582058946 1075855345 /nfs/dbraw/zinc/85/53/45/1075855345.db2.gz NWTVNLVVHRIQNP-OLZOCXBDSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(CCc1cnc[nH]1)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582058997 1075855374 /nfs/dbraw/zinc/85/53/74/1075855374.db2.gz PIIKKGWJDCKHIN-UHFFFAOYSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(CCc1cnc[nH]1)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582059045 1075855340 /nfs/dbraw/zinc/85/53/40/1075855340.db2.gz RGRWIUGANALNSP-UHFFFAOYSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(CCc1cnc[nH]1)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582059090 1075855449 /nfs/dbraw/zinc/85/54/49/1075855449.db2.gz UDRGXHTUDODEFE-OLZOCXBDSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(CCc1cnc[nH]1)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582059143 1075855415 /nfs/dbraw/zinc/85/54/15/1075855415.db2.gz VYSCXGNQKQDGLU-CHWSQXEVSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(CCc1cnc[nH]1)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582059144 1075855713 /nfs/dbraw/zinc/85/57/13/1075855713.db2.gz VYSCXGNQKQDGLU-OLZOCXBDSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(CCc1ccncn1)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582066239 1075855864 /nfs/dbraw/zinc/85/58/64/1075855864.db2.gz AHJPENUEXUFPCX-UHFFFAOYSA-N 0 1 384.404 -1.266 20 0 GAADMN O=C(CCc1ccncn1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582067439 1075855867 /nfs/dbraw/zinc/85/58/67/1075855867.db2.gz XSFPPVUEUKDUCI-NEPJUHHUSA-N 0 1 382.388 -1.255 20 0 GAADMN O=C(CCc1ccncn1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582067440 1075855841 /nfs/dbraw/zinc/85/58/41/1075855841.db2.gz XSFPPVUEUKDUCI-VXGBXAGGSA-N 0 1 382.388 -1.255 20 0 GAADMN O=C(CCc1cnccn1)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582075761 1075855830 /nfs/dbraw/zinc/85/58/30/1075855830.db2.gz LSBYKKDFBLMGKN-UHFFFAOYSA-N 0 1 384.404 -1.266 20 0 GAADMN O=C(CCc1cncnc1)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582076331 1075856144 /nfs/dbraw/zinc/85/61/44/1075856144.db2.gz MZHKYZKFHHBETB-UHFFFAOYSA-N 0 1 384.404 -1.266 20 0 GAADMN O=C(CCc1cncnc1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582076574 1075856133 /nfs/dbraw/zinc/85/61/33/1075856133.db2.gz HDEVHLZOBHYZKW-NEPJUHHUSA-N 0 1 382.388 -1.255 20 0 GAADMN O=C(CCc1cncnc1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582076576 1075856234 /nfs/dbraw/zinc/85/62/34/1075856234.db2.gz HDEVHLZOBHYZKW-VXGBXAGGSA-N 0 1 382.388 -1.255 20 0 GAADMN O=C(CCc1ncccn1)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582078538 1075856176 /nfs/dbraw/zinc/85/61/76/1075856176.db2.gz AOKYLBUCVXUWOC-UHFFFAOYSA-N 0 1 384.404 -1.266 20 0 GAADMN O=C(CCc1ncccn1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582079509 1075856270 /nfs/dbraw/zinc/85/62/70/1075856270.db2.gz GLHQGXUGDSKKEJ-GHMZBOCLSA-N 0 1 382.388 -1.255 20 0 GAADMN O=C(CCc1ncccn1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582079511 1075856100 /nfs/dbraw/zinc/85/61/00/1075856100.db2.gz GLHQGXUGDSKKEJ-MNOVXSKESA-N 0 1 382.388 -1.255 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001582081097 1075857004 /nfs/dbraw/zinc/85/70/04/1075857004.db2.gz IQYWTPNSUZOBRZ-SECBINFHSA-N 0 1 376.377 -1.892 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001582081098 1075856984 /nfs/dbraw/zinc/85/69/84/1075856984.db2.gz IQYWTPNSUZOBRZ-VIFPVBQESA-N 0 1 376.377 -1.892 20 0 GAADMN O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001582081113 1075857078 /nfs/dbraw/zinc/85/70/78/1075857078.db2.gz JFLTVKKXJTWMCK-SNVBAGLBSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001582081113 1075857074 /nfs/dbraw/zinc/85/70/74/1075857074.db2.gz JFLTVKKXJTWMCK-SNVBAGLBSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(CCc1nc[nH]n1)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001582081146 1075857041 /nfs/dbraw/zinc/85/70/41/1075857041.db2.gz KGXZMKWKKOGYIQ-GHMZBOCLSA-N 0 1 388.367 -1.183 20 0 GAADMN O=C(CCc1nc[nH]n1)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001582081147 1075857033 /nfs/dbraw/zinc/85/70/33/1075857033.db2.gz KGXZMKWKKOGYIQ-MNOVXSKESA-N 0 1 388.367 -1.183 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001582081155 1075856787 /nfs/dbraw/zinc/85/67/87/1075856787.db2.gz KMVGNQGOKSYCMT-WDEREUQCSA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001582081155 1075856783 /nfs/dbraw/zinc/85/67/83/1075856783.db2.gz KMVGNQGOKSYCMT-WDEREUQCSA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001582081155 1075856779 /nfs/dbraw/zinc/85/67/79/1075856779.db2.gz KMVGNQGOKSYCMT-WDEREUQCSA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001582081215 1075856822 /nfs/dbraw/zinc/85/68/22/1075856822.db2.gz MRMOXEFXCFNVPB-GHMZBOCLSA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001582081215 1075856816 /nfs/dbraw/zinc/85/68/16/1075856816.db2.gz MRMOXEFXCFNVPB-GHMZBOCLSA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001582081215 1075856815 /nfs/dbraw/zinc/85/68/15/1075856815.db2.gz MRMOXEFXCFNVPB-GHMZBOCLSA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001582081216 1075856963 /nfs/dbraw/zinc/85/69/63/1075856963.db2.gz MRMOXEFXCFNVPB-MNOVXSKESA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001582081216 1075856959 /nfs/dbraw/zinc/85/69/59/1075856959.db2.gz MRMOXEFXCFNVPB-MNOVXSKESA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001582081216 1075856954 /nfs/dbraw/zinc/85/69/54/1075856954.db2.gz MRMOXEFXCFNVPB-MNOVXSKESA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001582081217 1075856934 /nfs/dbraw/zinc/85/69/34/1075856934.db2.gz MRMOXEFXCFNVPB-QWRGUYRKSA-N 0 1 390.404 -1.813 20 0 GAADMN O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001582081217 1075856928 /nfs/dbraw/zinc/85/69/28/1075856928.db2.gz MRMOXEFXCFNVPB-QWRGUYRKSA-N 0 1 390.404 -1.813 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O=C(CCn1cccn1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582086998 1075859408 /nfs/dbraw/zinc/85/94/08/1075859408.db2.gz DFWZUPJSXWHFBD-NWDGAFQWSA-N 0 1 384.404 -1.001 20 0 GAADMN O=C(CCn1cccn1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582086999 1075859435 /nfs/dbraw/zinc/85/94/35/1075859435.db2.gz DFWZUPJSXWHFBD-RYUDHWBXSA-N 0 1 384.404 -1.001 20 0 GAADMN O=C(CCn1cccn1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582087000 1075859781 /nfs/dbraw/zinc/85/97/81/1075859781.db2.gz DFWZUPJSXWHFBD-VXGBXAGGSA-N 0 1 384.404 -1.001 20 0 GAADMN O=C(CCn1ccnn1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582091391 1075861106 /nfs/dbraw/zinc/86/11/06/1075861106.db2.gz FLRGDFPSLOARQZ-GHMZBOCLSA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCn1ccnn1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582091392 1075861060 /nfs/dbraw/zinc/86/10/60/1075861060.db2.gz FLRGDFPSLOARQZ-MNOVXSKESA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCn1ccnn1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582091393 1075861006 /nfs/dbraw/zinc/86/10/06/1075861006.db2.gz FLRGDFPSLOARQZ-QWRGUYRKSA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCn1ccnn1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582091394 1075861146 /nfs/dbraw/zinc/86/11/46/1075861146.db2.gz FLRGDFPSLOARQZ-WDEREUQCSA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCn1ccnn1)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582091662 1075861353 /nfs/dbraw/zinc/86/13/53/1075861353.db2.gz PCCWJMWDWLZPBD-HNNXBMFYSA-N 0 1 385.392 -1.604 20 0 GAADMN O=C(CCn1ccnn1)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582091663 1075861404 /nfs/dbraw/zinc/86/14/04/1075861404.db2.gz PCCWJMWDWLZPBD-OAHLLOKOSA-N 0 1 385.392 -1.604 20 0 GAADMN O=C(CCn1cnccc1=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582092130 1075861752 /nfs/dbraw/zinc/86/17/52/1075861752.db2.gz HEOUOUFINAFLMW-LLVKDONJSA-N 0 1 382.388 -1.262 20 0 GAADMN O=C(CCn1cnccc1=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582092291 1075862209 /nfs/dbraw/zinc/86/22/09/1075862209.db2.gz OLESGDBITQPUKH-LLVKDONJSA-N 0 1 382.388 -1.001 20 0 GAADMN O=C(CCn1cnccc1=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582092292 1075862230 /nfs/dbraw/zinc/86/22/30/1075862230.db2.gz OLESGDBITQPUKH-NSHDSACASA-N 0 1 382.388 -1.001 20 0 GAADMN O=C(CCn1cnccc1=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001582092339 1075862201 /nfs/dbraw/zinc/86/22/01/1075862201.db2.gz QBPWLUBCAHFXMR-LLVKDONJSA-N 0 1 385.388 -1.780 20 0 GAADMN O=C(CCn1cnccc1=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001582092340 1075862172 /nfs/dbraw/zinc/86/21/72/1075862172.db2.gz QBPWLUBCAHFXMR-NSHDSACASA-N 0 1 385.388 -1.780 20 0 GAADMN O=C(CCn1ccnn1)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001582092382 1075862127 /nfs/dbraw/zinc/86/21/27/1075862127.db2.gz SGQUQMQRSFEVQX-LLVKDONJSA-N 0 1 385.392 -1.340 20 0 GAADMN O=C(CCn1ccnn1)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001582092383 1075862029 /nfs/dbraw/zinc/86/20/29/1075862029.db2.gz SGQUQMQRSFEVQX-NSHDSACASA-N 0 1 385.392 -1.340 20 0 GAADMN O=C(CCn1cnccc1=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582092436 1075862431 /nfs/dbraw/zinc/86/24/31/1075862431.db2.gz VIWZPVZUHHUNQV-UHFFFAOYSA-N 0 1 382.388 -1.214 20 0 GAADMN O=C(CCn1cnccc1=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582092494 1075862539 /nfs/dbraw/zinc/86/25/39/1075862539.db2.gz YAMRUSJWDYZWDC-PHIMTYICSA-N 0 1 382.388 -1.215 20 0 GAADMN O=C(CCn1cnccc1=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582092495 1075862500 /nfs/dbraw/zinc/86/25/00/1075862500.db2.gz YAMRUSJWDYZWDC-XYPYZODXSA-N 0 1 382.388 -1.215 20 0 GAADMN O=C(CCn1cncn1)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582093358 1075863003 /nfs/dbraw/zinc/86/30/03/1075863003.db2.gz FSGBBRGFDZFLAX-HNNXBMFYSA-N 0 1 385.392 -1.604 20 0 GAADMN O=C(CCn1cncn1)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582093359 1075862978 /nfs/dbraw/zinc/86/29/78/1075862978.db2.gz FSGBBRGFDZFLAX-OAHLLOKOSA-N 0 1 385.392 -1.604 20 0 GAADMN O=C(CCn1cncn1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582093832 1075862870 /nfs/dbraw/zinc/86/28/70/1075862870.db2.gz UQRJEILWSRPIDJ-GHMZBOCLSA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCn1cncn1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582093833 1075862963 /nfs/dbraw/zinc/86/29/63/1075862963.db2.gz UQRJEILWSRPIDJ-MNOVXSKESA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCn1cncn1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582093834 1075863240 /nfs/dbraw/zinc/86/32/40/1075863240.db2.gz UQRJEILWSRPIDJ-QWRGUYRKSA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCn1cncn1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582093835 1075863279 /nfs/dbraw/zinc/86/32/79/1075863279.db2.gz UQRJEILWSRPIDJ-WDEREUQCSA-N 0 1 385.392 -1.606 20 0 GAADMN O=C(CCn1cncn1)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582093841 1075863250 /nfs/dbraw/zinc/86/32/50/1075863250.db2.gz UYFOCPIFILYFSS-LLVKDONJSA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(CCn1cncn1)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582093842 1075863317 /nfs/dbraw/zinc/86/33/17/1075863317.db2.gz UYFOCPIFILYFSS-NSHDSACASA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(CCn1cnnn1)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582094176 1075863620 /nfs/dbraw/zinc/86/36/20/1075863620.db2.gz FMTCXCWLWYYICF-LLVKDONJSA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(CCn1cnnn1)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582094177 1075863703 /nfs/dbraw/zinc/86/37/03/1075863703.db2.gz FMTCXCWLWYYICF-NSHDSACASA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(CCn1cncn1)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001582094309 1075864014 /nfs/dbraw/zinc/86/40/14/1075864014.db2.gz JPBFTEGROYKYMP-LLVKDONJSA-N 0 1 385.392 -1.340 20 0 GAADMN O=C(CCn1cncn1)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001582094310 1075864131 /nfs/dbraw/zinc/86/41/31/1075864131.db2.gz JPBFTEGROYKYMP-NSHDSACASA-N 0 1 385.392 -1.340 20 0 GAADMN O=C(CCn1cnnn1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582094400 1075864150 /nfs/dbraw/zinc/86/41/50/1075864150.db2.gz NGMBPQTTZRPGET-LLVKDONJSA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(CCn1cnnn1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582094401 1075864072 /nfs/dbraw/zinc/86/40/72/1075864072.db2.gz NGMBPQTTZRPGET-NSHDSACASA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001582094426 1075864120 /nfs/dbraw/zinc/86/41/20/1075864120.db2.gz OBYVUIZGFCAWBN-PHIMTYICSA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(CCn1cnnn1)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582094513 1075864090 /nfs/dbraw/zinc/86/40/90/1075864090.db2.gz RCHUMCAXAPDPSZ-UHFFFAOYSA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(CCn1cnnn1)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582094568 1075864458 /nfs/dbraw/zinc/86/44/58/1075864458.db2.gz SZDUGUANLPZKFV-LLVKDONJSA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(CCn1cnnn1)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582094569 1075864307 /nfs/dbraw/zinc/86/43/07/1075864307.db2.gz SZDUGUANLPZKFV-NSHDSACASA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(CCn1cncn1)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001582094609 1075864406 /nfs/dbraw/zinc/86/44/06/1075864406.db2.gz VMXXJEKSAOOLSK-LLVKDONJSA-N 0 1 385.392 -1.340 20 0 GAADMN O=C(CCn1cncn1)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001582094610 1075864380 /nfs/dbraw/zinc/86/43/80/1075864380.db2.gz VMXXJEKSAOOLSK-NSHDSACASA-N 0 1 385.392 -1.340 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582094699 1075864033 /nfs/dbraw/zinc/86/40/33/1075864033.db2.gz AELYICXRBOTAFH-GHMZBOCLSA-N 0 1 384.408 -1.005 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582094700 1075864365 /nfs/dbraw/zinc/86/43/65/1075864365.db2.gz AELYICXRBOTAFH-MNOVXSKESA-N 0 1 384.408 -1.005 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582094701 1075864485 /nfs/dbraw/zinc/86/44/85/1075864485.db2.gz AELYICXRBOTAFH-QWRGUYRKSA-N 0 1 384.408 -1.005 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582094702 1075864784 /nfs/dbraw/zinc/86/47/84/1075864784.db2.gz AELYICXRBOTAFH-WDEREUQCSA-N 0 1 384.408 -1.005 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001582094719 1075864824 /nfs/dbraw/zinc/86/48/24/1075864824.db2.gz APDMJEBIUINSTJ-RTCCRHLQSA-N 0 1 382.392 -1.468 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001582094754 1075864882 /nfs/dbraw/zinc/86/48/82/1075864882.db2.gz BWUVUFUWBMJLPY-GFCCVEGCSA-N 0 1 390.383 -1.351 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001582094755 1075864745 /nfs/dbraw/zinc/86/47/45/1075864745.db2.gz BWUVUFUWBMJLPY-LBPRGKRZSA-N 0 1 390.383 -1.351 20 0 GAADMN O=C(CCn1cnnn1)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582094781 1075865147 /nfs/dbraw/zinc/86/51/47/1075865147.db2.gz CTPWIDPVJMFTGY-UHFFFAOYSA-N 0 1 384.408 -1.146 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582094783 1075865106 /nfs/dbraw/zinc/86/51/06/1075865106.db2.gz CUSUOUUWRHFRCU-GHMZBOCLSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582094784 1075865081 /nfs/dbraw/zinc/86/50/81/1075865081.db2.gz CUSUOUUWRHFRCU-MNOVXSKESA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582094785 1075865157 /nfs/dbraw/zinc/86/51/57/1075865157.db2.gz CUSUOUUWRHFRCU-QWRGUYRKSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582094786 1075865219 /nfs/dbraw/zinc/86/52/19/1075865219.db2.gz CUSUOUUWRHFRCU-WDEREUQCSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(CCn1cnnn1)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001582094900 1075865201 /nfs/dbraw/zinc/86/52/01/1075865201.db2.gz FWVYLTJHEJOEIY-PHIMTYICSA-N 0 1 382.392 -1.372 20 0 GAADMN O=C(CCn1cnnn1)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001582095014 1075865481 /nfs/dbraw/zinc/86/54/81/1075865481.db2.gz JPCJLLQOKMYRHX-LLVKDONJSA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(CCn1cnnn1)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001582095015 1075865511 /nfs/dbraw/zinc/86/55/11/1075865511.db2.gz JPCJLLQOKMYRHX-NSHDSACASA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001582095122 1075865499 /nfs/dbraw/zinc/86/54/99/1075865499.db2.gz LELJISMZVVGDHQ-SECBINFHSA-N 0 1 378.422 -1.428 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001582095122 1075865494 /nfs/dbraw/zinc/86/54/94/1075865494.db2.gz LELJISMZVVGDHQ-SECBINFHSA-N 0 1 378.422 -1.428 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001582095123 1075865611 /nfs/dbraw/zinc/86/56/11/1075865611.db2.gz LELJISMZVVGDHQ-VIFPVBQESA-N 0 1 378.422 -1.428 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001582095123 1075865607 /nfs/dbraw/zinc/86/56/07/1075865607.db2.gz LELJISMZVVGDHQ-VIFPVBQESA-N 0 1 378.422 -1.428 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582095152 1075865569 /nfs/dbraw/zinc/86/55/69/1075865569.db2.gz LHVPIBKQHSUWNU-GHMZBOCLSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582095156 1075865883 /nfs/dbraw/zinc/86/58/83/1075865883.db2.gz LHVPIBKQHSUWNU-MNOVXSKESA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582095161 1075865828 /nfs/dbraw/zinc/86/58/28/1075865828.db2.gz LHVPIBKQHSUWNU-QWRGUYRKSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582095165 1075865937 /nfs/dbraw/zinc/86/59/37/1075865937.db2.gz LHVPIBKQHSUWNU-WDEREUQCSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(CCn1cnnn1)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001582095196 1075865848 /nfs/dbraw/zinc/86/58/48/1075865848.db2.gz LQIBVWIQLQRECJ-UHFFFAOYSA-N 0 1 384.408 -1.004 20 0 GAADMN O=C(CCn1cnnn1)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001582095507 1075866389 /nfs/dbraw/zinc/86/63/89/1075866389.db2.gz QFBZLRNPXCLICN-WDEREUQCSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(CCn1cnnn1)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001582095700 1075866382 /nfs/dbraw/zinc/86/63/82/1075866382.db2.gz SSZKNKKKJYHWAD-UHFFFAOYSA-N 0 1 384.408 -1.004 20 0 GAADMN O=C(CCn1cnnn1)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582096017 1075866582 /nfs/dbraw/zinc/86/65/82/1075866582.db2.gz VOIVILZUJHIIPU-UHFFFAOYSA-N 0 1 384.408 -1.005 20 0 GAADMN O=C(CCn1cnnn1)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582096030 1075866607 /nfs/dbraw/zinc/86/66/07/1075866607.db2.gz WADFZOIBJNZEDL-LLVKDONJSA-N 0 1 390.383 -1.351 20 0 GAADMN O=C(CCn1cnnn1)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582096031 1075866552 /nfs/dbraw/zinc/86/65/52/1075866552.db2.gz WADFZOIBJNZEDL-NSHDSACASA-N 0 1 390.383 -1.351 20 0 GAADMN O=C(CN1C(=O)CCC1=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001582096174 1075866887 /nfs/dbraw/zinc/86/68/87/1075866887.db2.gz AQPBLIWHLCXKAG-JTQLQIEISA-N 0 1 385.388 -1.109 20 0 GAADMN O=C(CN1C(=O)CCC1=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001582096175 1075866895 /nfs/dbraw/zinc/86/68/95/1075866895.db2.gz AQPBLIWHLCXKAG-SNVBAGLBSA-N 0 1 385.388 -1.109 20 0 GAADMN O=C(CN1C(=O)CCC1=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001582096224 1075867133 /nfs/dbraw/zinc/86/71/33/1075867133.db2.gz DNNIGEJOQUFENX-KGLIPLIRSA-N 0 1 399.411 -1.323 20 0 GAADMN O=C(CN1C(=O)CCC1=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001582096225 1075867352 /nfs/dbraw/zinc/86/73/52/1075867352.db2.gz DNNIGEJOQUFENX-ZIAGYGMSSA-N 0 1 399.411 -1.323 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582096280 1075867280 /nfs/dbraw/zinc/86/72/80/1075867280.db2.gz HLJMVBZJOSBQEX-ZIAGYGMSSA-N 0 1 384.404 -1.395 20 0 GAADMN O=C(CN1C(=O)CCC1=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582096306 1075867325 /nfs/dbraw/zinc/86/73/25/1075867325.db2.gz IWVAUAKCGQPFPW-MGCOHNPYSA-N 0 1 385.388 -1.466 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001582096341 1075867337 /nfs/dbraw/zinc/86/73/37/1075867337.db2.gz KWURMZAJYARCBD-KGLIPLIRSA-N 0 1 384.404 -1.395 20 0 GAADMN O=C(CN1C(=O)CCC1=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582096410 1075867652 /nfs/dbraw/zinc/86/76/52/1075867652.db2.gz OQIZEMYTKITVKJ-WDEREUQCSA-N 0 1 399.415 -1.076 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582096416 1075867719 /nfs/dbraw/zinc/86/77/19/1075867719.db2.gz OXIDRTIPXLOXEL-KGLIPLIRSA-N 0 1 384.404 -1.395 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582096417 1075867771 /nfs/dbraw/zinc/86/77/71/1075867771.db2.gz OXIDRTIPXLOXEL-ZIAGYGMSSA-N 0 1 384.404 -1.395 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582096419 1075867549 /nfs/dbraw/zinc/86/75/49/1075867549.db2.gz PJPGUFSJQZIPHI-GHMZBOCLSA-N 0 1 384.408 -1.005 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582096553 1075868113 /nfs/dbraw/zinc/86/81/13/1075868113.db2.gz VOIVILZUJHIIPU-XYPYZODXSA-N 0 1 384.408 -1.005 20 0 GAADMN O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001582096624 1075868190 /nfs/dbraw/zinc/86/81/90/1075868190.db2.gz ZPUPLKYPPSQNEB-MXWKQRLJSA-N 0 1 382.392 -1.041 20 0 GAADMN O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001582096625 1075867993 /nfs/dbraw/zinc/86/79/93/1075867993.db2.gz ZPUPLKYPPSQNEB-VWYCJHECSA-N 0 1 382.392 -1.041 20 0 GAADMN O=C(CN1CCCC1)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582097738 1075867998 /nfs/dbraw/zinc/86/79/98/1075867998.db2.gz LWMYODOOSVLRPG-UHFFFAOYSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582097875 1075868163 /nfs/dbraw/zinc/86/81/63/1075868163.db2.gz QYWCLGHYFBZWPR-UHFFFAOYSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(C[NH+]1CCCC1)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001582098043 1075868045 /nfs/dbraw/zinc/86/80/45/1075868045.db2.gz ZREQWBLMFYZMPD-UHFFFAOYSA-N 0 1 387.448 -1.060 20 0 GAADMN O=C(CN1CCC(=O)NC1=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001582098484 1075868533 /nfs/dbraw/zinc/86/85/33/1075868533.db2.gz NYNKPJYUFLPKPT-UHFFFAOYSA-N 0 1 385.388 -1.314 20 0 GAADMN O=C(CN1CCCC1)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582098896 1075869086 /nfs/dbraw/zinc/86/90/86/1075869086.db2.gz BXDNCIQQHYJFEI-KRWDZBQOSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582098897 1075869059 /nfs/dbraw/zinc/86/90/59/1075869059.db2.gz BXDNCIQQHYJFEI-QGZVFWFLSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582098953 1075869077 /nfs/dbraw/zinc/86/90/77/1075869077.db2.gz FDSWEQKCANCLDM-GXTWGEPZSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582098954 1075869072 /nfs/dbraw/zinc/86/90/72/1075869072.db2.gz FDSWEQKCANCLDM-JSGCOSHPSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582098955 1075869010 /nfs/dbraw/zinc/86/90/10/1075869010.db2.gz FDSWEQKCANCLDM-OCCSQVGLSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582098956 1075869101 /nfs/dbraw/zinc/86/91/01/1075869101.db2.gz FDSWEQKCANCLDM-TZMCWYRMSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582099175 1075869023 /nfs/dbraw/zinc/86/90/23/1075869023.db2.gz KPYMLQRFYIHGNP-KRWDZBQOSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582099176 1075869069 /nfs/dbraw/zinc/86/90/69/1075869069.db2.gz KPYMLQRFYIHGNP-QGZVFWFLSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582099205 1075869066 /nfs/dbraw/zinc/86/90/66/1075869066.db2.gz LRBSQJAFQPIQBS-KRWDZBQOSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582099206 1075869004 /nfs/dbraw/zinc/86/90/04/1075869004.db2.gz LRBSQJAFQPIQBS-QGZVFWFLSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582099398 1075869089 /nfs/dbraw/zinc/86/90/89/1075869089.db2.gz QJLHPDGHXMPXSS-BXUZGUMPSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582099399 1075868998 /nfs/dbraw/zinc/86/89/98/1075868998.db2.gz QJLHPDGHXMPXSS-FZMZJTMJSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582099400 1075869015 /nfs/dbraw/zinc/86/90/15/1075869015.db2.gz QJLHPDGHXMPXSS-RISCZKNCSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582099401 1075869081 /nfs/dbraw/zinc/86/90/81/1075869081.db2.gz QJLHPDGHXMPXSS-SMDDNHRTSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582099549 1075869092 /nfs/dbraw/zinc/86/90/92/1075869092.db2.gz UXAUUDAWIXSYMW-GXTWGEPZSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582099550 1075869094 /nfs/dbraw/zinc/86/90/94/1075869094.db2.gz UXAUUDAWIXSYMW-JSGCOSHPSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582099551 1075869426 /nfs/dbraw/zinc/86/94/26/1075869426.db2.gz UXAUUDAWIXSYMW-OCCSQVGLSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582099552 1075869357 /nfs/dbraw/zinc/86/93/57/1075869357.db2.gz UXAUUDAWIXSYMW-TZMCWYRMSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(C[NH+]1CCCC1)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001582100233 1075869363 /nfs/dbraw/zinc/86/93/63/1075869363.db2.gz BHYRNDPNKAVNAW-UHFFFAOYSA-N 0 1 386.464 -1.009 20 0 GAADMN O=C(CN1CCCC1=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582100479 1075869341 /nfs/dbraw/zinc/86/93/41/1075869341.db2.gz ILGLRLJIUDZMQI-UHFFFAOYSA-N 0 1 375.393 -2.066 20 0 GAADMN O=C(CN1CCCC1)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582100788 1075869375 /nfs/dbraw/zinc/86/93/75/1075869375.db2.gz OEUHNKDXVBWGGI-UHFFFAOYSA-N 0 1 376.421 -1.159 20 0 GAADMN O=C(CN1CCCC1)NCCN(CCO)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582100914 1075869396 /nfs/dbraw/zinc/86/93/96/1075869396.db2.gz UXPBKJUNSHUSGD-UHFFFAOYSA-N 0 1 376.421 -1.159 20 0 GAADMN O=C(CN1CCCC1=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582101206 1075869633 /nfs/dbraw/zinc/86/96/33/1075869633.db2.gz GRKXFIPJTBIIJI-INIZCTEOSA-N 0 1 387.404 -1.664 20 0 GAADMN O=C(CN1CCCC1=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582101207 1075869665 /nfs/dbraw/zinc/86/96/65/1075869665.db2.gz GRKXFIPJTBIIJI-MRXNPFEDSA-N 0 1 387.404 -1.664 20 0 GAADMN O=C(CN1CCCC1=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001582101553 1075870370 /nfs/dbraw/zinc/87/03/70/1075870370.db2.gz SDXCGHYQDKPLSQ-LLVKDONJSA-N 0 1 387.404 -1.400 20 0 GAADMN O=C(CN1CCCC1=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001582101554 1075870602 /nfs/dbraw/zinc/87/06/02/1075870602.db2.gz SDXCGHYQDKPLSQ-NSHDSACASA-N 0 1 387.404 -1.400 20 0 GAADMN O=C(CN1CCCC1=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001582101758 1075870745 /nfs/dbraw/zinc/87/07/45/1075870745.db2.gz YLAILSILXYYYDM-LLVKDONJSA-N 0 1 387.404 -1.400 20 0 GAADMN O=C(CN1CCCC1=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001582101759 1075870794 /nfs/dbraw/zinc/87/07/94/1075870794.db2.gz YLAILSILXYYYDM-NSHDSACASA-N 0 1 387.404 -1.400 20 0 GAADMN O=C(CN1CCCCC1=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582101838 1075870835 /nfs/dbraw/zinc/87/08/35/1075870835.db2.gz BDFPFWLDLOMALN-JTQLQIEISA-N 0 1 375.393 -2.020 20 0 GAADMN O=C(CN1CCCCC1=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582101839 1075870752 /nfs/dbraw/zinc/87/07/52/1075870752.db2.gz BDFPFWLDLOMALN-SNVBAGLBSA-N 0 1 375.393 -2.020 20 0 GAADMN O=C(CN1CCCCC1=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582101850 1075871257 /nfs/dbraw/zinc/87/12/57/1075871257.db2.gz CCTIWILCJGTCFY-JTQLQIEISA-N 0 1 375.393 -2.020 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O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001582187805 1075895412 /nfs/dbraw/zinc/89/54/12/1075895412.db2.gz STDRIAFHRXWPAI-NSHDSACASA-N 0 1 390.404 -1.502 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001582187866 1075895429 /nfs/dbraw/zinc/89/54/29/1075895429.db2.gz WEURCCULSGRCKE-JTQLQIEISA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001582187866 1075895426 /nfs/dbraw/zinc/89/54/26/1075895426.db2.gz WEURCCULSGRCKE-JTQLQIEISA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001582187866 1075895424 /nfs/dbraw/zinc/89/54/24/1075895424.db2.gz WEURCCULSGRCKE-JTQLQIEISA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001582187867 1075895357 /nfs/dbraw/zinc/89/53/57/1075895357.db2.gz WEURCCULSGRCKE-SNVBAGLBSA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001582187867 1075895352 /nfs/dbraw/zinc/89/53/52/1075895352.db2.gz WEURCCULSGRCKE-SNVBAGLBSA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001582187867 1075895345 /nfs/dbraw/zinc/89/53/45/1075895345.db2.gz WEURCCULSGRCKE-SNVBAGLBSA-N 0 1 378.393 -1.908 20 0 GAADMN O=C(Cn1cc(-c2nn[nH]n2)nn1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001582188468 1075895873 /nfs/dbraw/zinc/89/58/73/1075895873.db2.gz OJIJZCCQWLXOOF-JTQLQIEISA-N 0 1 381.422 -2.211 20 0 GAADMN O=C(Cn1cc(-c2nn[nH]n2)nn1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001582188470 1075895921 /nfs/dbraw/zinc/89/59/21/1075895921.db2.gz OJIJZCCQWLXOOF-SNVBAGLBSA-N 0 1 381.422 -2.211 20 0 GAADMN O=C(Cn1cc(C2CC2)nn1)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001582189224 1075896040 /nfs/dbraw/zinc/89/60/40/1075896040.db2.gz CIDFWMAVBXAHPO-LLVKDONJSA-N 0 1 384.404 -1.258 20 0 GAADMN O=C(Cn1cc(C2CC2)nn1)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001582189225 1075895966 /nfs/dbraw/zinc/89/59/66/1075895966.db2.gz CIDFWMAVBXAHPO-NSHDSACASA-N 0 1 384.404 -1.258 20 0 GAADMN O=C(Cn1cc(Cl)cn1)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582189262 1075895987 /nfs/dbraw/zinc/89/59/87/1075895987.db2.gz FNYLMQXROGFNDL-SECBINFHSA-N 0 1 378.784 -1.482 20 0 GAADMN O=C(Cn1cc(Cl)cn1)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582189263 1075895897 /nfs/dbraw/zinc/89/58/97/1075895897.db2.gz FNYLMQXROGFNDL-VIFPVBQESA-N 0 1 378.784 -1.482 20 0 GAADMN O=C(Cn1cc(Cl)cn1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582189647 1075896011 /nfs/dbraw/zinc/89/60/11/1075896011.db2.gz MJBIOWVUBRKMRQ-ZJUUUORDSA-N 0 1 390.795 -1.128 20 0 GAADMN O=C(Cn1cc(C2CC2)nn1)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001582189796 1075895997 /nfs/dbraw/zinc/89/59/97/1075895997.db2.gz UKNZEDKDPJTFOY-LLVKDONJSA-N 0 1 384.404 -1.258 20 0 GAADMN O=C(Cn1cc(C2CC2)nn1)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001582189797 1075896100 /nfs/dbraw/zinc/89/61/00/1075896100.db2.gz UKNZEDKDPJTFOY-NSHDSACASA-N 0 1 384.404 -1.258 20 0 GAADMN O=C(Cn1cc(Cl)cn1)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582189813 1075896544 /nfs/dbraw/zinc/89/65/44/1075896544.db2.gz VLKFEHGJBAINGW-UHFFFAOYSA-N 0 1 392.811 -1.139 20 0 GAADMN O=C(Cn1ccccc1=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582191347 1075896245 /nfs/dbraw/zinc/89/62/45/1075896245.db2.gz UKMHAKWPHGHSOK-GHMZBOCLSA-N 0 1 383.372 -1.816 20 0 GAADMN O=C(Cn1cccn1)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582191554 1075896317 /nfs/dbraw/zinc/89/63/17/1075896317.db2.gz DWEDBQZAHYFPCC-UHFFFAOYSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582191825 1075896787 /nfs/dbraw/zinc/89/67/87/1075896787.db2.gz GMWCNSBMBSVMER-SECBINFHSA-N 0 1 384.360 -1.946 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582191827 1075896695 /nfs/dbraw/zinc/89/66/95/1075896695.db2.gz GMWCNSBMBSVMER-VIFPVBQESA-N 0 1 384.360 -1.946 20 0 GAADMN O=C(Cn1ccccc1=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582191841 1075896918 /nfs/dbraw/zinc/89/69/18/1075896918.db2.gz GSAKSFJDDLPWPB-UHFFFAOYSA-N 0 1 385.388 -1.827 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001582192081 1075896997 /nfs/dbraw/zinc/89/69/97/1075896997.db2.gz NNBXUHYSTSGLEY-MGCOHNPYSA-N 0 1 383.372 -1.295 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582192150 1075897374 /nfs/dbraw/zinc/89/73/74/1075897374.db2.gz QFRUTBVNUMCHKC-UHFFFAOYSA-N 0 1 384.360 -1.732 20 0 GAADMN O=C(Cn1ccccc1=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001582192371 1075897322 /nfs/dbraw/zinc/89/73/22/1075897322.db2.gz WMDRAJAEPHZNPK-UHFFFAOYSA-N 0 1 384.400 -1.222 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001582192393 1075897344 /nfs/dbraw/zinc/89/73/44/1075897344.db2.gz XNLLSBGRCRXYKV-UHFFFAOYSA-N 0 1 383.372 -1.293 20 0 GAADMN O=C(Cn1cccn1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582192485 1075897335 /nfs/dbraw/zinc/89/73/35/1075897335.db2.gz ZKMFFKFGUMGWRY-INIZCTEOSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1cccn1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582192486 1075897311 /nfs/dbraw/zinc/89/73/11/1075897311.db2.gz ZKMFFKFGUMGWRY-MRXNPFEDSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001582192574 1075897451 /nfs/dbraw/zinc/89/74/51/1075897451.db2.gz ZVEGVBYHBNIOGZ-JTQLQIEISA-N 0 1 383.372 -1.341 20 0 GAADMN O=C(Cn1cccn1)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582194673 1075897855 /nfs/dbraw/zinc/89/78/55/1075897855.db2.gz RIOYYKUOMOFBIT-UHFFFAOYSA-N 0 1 383.420 -1.208 20 0 GAADMN O=C(Cn1ccnc1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582195071 1075897932 /nfs/dbraw/zinc/89/79/32/1075897932.db2.gz JECYFDDIAJXEQP-INIZCTEOSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1ccnc1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582195072 1075897735 /nfs/dbraw/zinc/89/77/35/1075897735.db2.gz JECYFDDIAJXEQP-MRXNPFEDSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1ccnc1)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582195180 1075897841 /nfs/dbraw/zinc/89/78/41/1075897841.db2.gz NYTOKZYIGXCZJK-UHFFFAOYSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001582197837 1075898205 /nfs/dbraw/zinc/89/82/05/1075898205.db2.gz BIQDPCBUXQRTCQ-UHFFFAOYSA-N 0 1 375.393 -1.444 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001582197896 1075899015 /nfs/dbraw/zinc/89/90/15/1075899015.db2.gz DEBDDRSHJBZQGA-UHFFFAOYSA-N 0 1 384.360 -1.457 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001582197922 1075899002 /nfs/dbraw/zinc/89/90/02/1075899002.db2.gz FIKCNMZKXAPOFJ-UHFFFAOYSA-N 0 1 390.408 -1.509 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001582198050 1075898982 /nfs/dbraw/zinc/89/89/82/1075898982.db2.gz KINHXONYRSVGCG-UHFFFAOYSA-N 0 1 382.406 -1.736 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001582198259 1075899347 /nfs/dbraw/zinc/89/93/47/1075899347.db2.gz SNHUOWAHRFXJOC-UHFFFAOYSA-N 0 1 381.422 -1.515 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001582198368 1075899563 /nfs/dbraw/zinc/89/95/63/1075899563.db2.gz XNPXJJDQMUJPNV-UHFFFAOYSA-N 0 1 381.422 -1.469 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001582198384 1075899535 /nfs/dbraw/zinc/89/95/35/1075899535.db2.gz YYDCHYNNSBQEMA-JTQLQIEISA-N 0 1 381.422 -2.211 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001582198385 1075899276 /nfs/dbraw/zinc/89/92/76/1075899276.db2.gz YYDCHYNNSBQEMA-SNVBAGLBSA-N 0 1 381.422 -2.211 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCN1Cc2ccccc2OCC1=O ZINC001582198964 1075899458 /nfs/dbraw/zinc/89/94/58/1075899458.db2.gz ABNIBAWZNBBICZ-UHFFFAOYSA-N 0 1 383.372 -1.004 20 0 GAADMN O=C(Cn1cncn1)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001582199599 1075900098 /nfs/dbraw/zinc/90/00/98/1075900098.db2.gz QSXXJLSSMPEMHP-UHFFFAOYSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1cncn1)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582199874 1075899924 /nfs/dbraw/zinc/89/99/24/1075899924.db2.gz CKSIOTXGKRVFTB-UHFFFAOYSA-N 0 1 385.392 -1.604 20 0 GAADMN O=C(Cn1cncn1)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582200030 1075899908 /nfs/dbraw/zinc/89/99/08/1075899908.db2.gz HFYIPPHINSVVMJ-HNNXBMFYSA-N 0 1 385.392 -1.604 20 0 GAADMN O=C(Cn1cncn1)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582200031 1075899874 /nfs/dbraw/zinc/89/98/74/1075899874.db2.gz HFYIPPHINSVVMJ-OAHLLOKOSA-N 0 1 385.392 -1.604 20 0 GAADMN O=C(Cn1cncn1)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582200506 1075900331 /nfs/dbraw/zinc/90/03/31/1075900331.db2.gz WSUVLWDRNXCBHD-LLVKDONJSA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(Cn1cncn1)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582200507 1075900377 /nfs/dbraw/zinc/90/03/77/1075900377.db2.gz WSUVLWDRNXCBHD-NSHDSACASA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(Cn1cncn1)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001582200560 1075900350 /nfs/dbraw/zinc/90/03/50/1075900350.db2.gz ZNEUUGKYPPQUPC-INIZCTEOSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1cncn1)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001582200561 1075900367 /nfs/dbraw/zinc/90/03/67/1075900367.db2.gz ZNEUUGKYPPQUPC-MRXNPFEDSA-N 0 1 384.404 -1.259 20 0 GAADMN O=C(Cn1cncn1)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001582200580 1075900338 /nfs/dbraw/zinc/90/03/38/1075900338.db2.gz AFZKPAQQIWHQKW-GFCCVEGCSA-N 0 1 375.368 -1.136 20 0 GAADMN O=C(Cn1cncn1)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001582200581 1075900415 /nfs/dbraw/zinc/90/04/15/1075900415.db2.gz AFZKPAQQIWHQKW-LBPRGKRZSA-N 0 1 375.368 -1.136 20 0 GAADMN O=C(Cn1cncn1)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001582201338 1075901933 /nfs/dbraw/zinc/90/19/33/1075901933.db2.gz WPYMVKCYDDTRAN-UHFFFAOYSA-N 0 1 385.392 -1.552 20 0 GAADMN O=C(Cn1cncn1)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582201375 1075901827 /nfs/dbraw/zinc/90/18/27/1075901827.db2.gz XMQCHAQFGBRQTD-LLVKDONJSA-N 0 1 375.368 -1.136 20 0 GAADMN O=C(Cn1cncn1)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582201376 1075901834 /nfs/dbraw/zinc/90/18/34/1075901834.db2.gz XMQCHAQFGBRQTD-NSHDSACASA-N 0 1 375.368 -1.136 20 0 GAADMN O=C(Cn1cncn1)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001582201438 1075901881 /nfs/dbraw/zinc/90/18/81/1075901881.db2.gz YVNOYOJYBFVIKV-LLVKDONJSA-N 0 1 385.392 -1.340 20 0 GAADMN O=C(Cn1cncn1)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001582201439 1075902398 /nfs/dbraw/zinc/90/23/98/1075902398.db2.gz YVNOYOJYBFVIKV-NSHDSACASA-N 0 1 385.392 -1.340 20 0 GAADMN O=C(Cn1cncn1)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582201503 1075902448 /nfs/dbraw/zinc/90/24/48/1075902448.db2.gz BHZCGUKGOHTYBD-UHFFFAOYSA-N 0 1 384.408 -1.813 20 0 GAADMN O=C(Cn1cnnn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001582201549 1075902524 /nfs/dbraw/zinc/90/25/24/1075902524.db2.gz FINBWNGCYKAOCV-PHIMTYICSA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(Cn1cnnn1)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001582202117 1075903891 /nfs/dbraw/zinc/90/38/91/1075903891.db2.gz IDYCMJCERXUJDP-UHFFFAOYSA-N 0 1 385.392 -1.864 20 0 GAADMN O=C(Cn1cnnn1)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001582202144 1075903674 /nfs/dbraw/zinc/90/36/74/1075903674.db2.gz JATLTUCSPMXPJE-UHFFFAOYSA-N 0 1 384.408 -1.004 20 0 GAADMN O=C(Cn1cnnn1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001582202152 1075903879 /nfs/dbraw/zinc/90/38/79/1075903879.db2.gz JMQXAKLXQVFUBG-WDEREUQCSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1cnnn1)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001582202184 1075904180 /nfs/dbraw/zinc/90/41/80/1075904180.db2.gz KZBNEXZYOKOXCK-LLVKDONJSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001582202185 1075904101 /nfs/dbraw/zinc/90/41/01/1075904101.db2.gz KZBNEXZYOKOXCK-NSHDSACASA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001582202196 1075904144 /nfs/dbraw/zinc/90/41/44/1075904144.db2.gz LDXNOTDWWHJQSM-JTQLQIEISA-N 0 1 390.433 -1.068 20 0 GAADMN O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582202196 1075904136 /nfs/dbraw/zinc/90/41/36/1075904136.db2.gz LDXNOTDWWHJQSM-JTQLQIEISA-N 0 1 390.433 -1.068 20 0 GAADMN O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001582202197 1075904339 /nfs/dbraw/zinc/90/43/39/1075904339.db2.gz LDXNOTDWWHJQSM-SNVBAGLBSA-N 0 1 390.433 -1.068 20 0 GAADMN O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582202197 1075904334 /nfs/dbraw/zinc/90/43/34/1075904334.db2.gz LDXNOTDWWHJQSM-SNVBAGLBSA-N 0 1 390.433 -1.068 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001582202212 1075904158 /nfs/dbraw/zinc/90/41/58/1075904158.db2.gz LSNZFDKZEKQYMG-MNOVXSKESA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001582202242 1075904276 /nfs/dbraw/zinc/90/42/76/1075904276.db2.gz NEYGMYKOOWQYIB-HNNXBMFYSA-N 0 1 382.392 -1.228 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001582202243 1075904208 /nfs/dbraw/zinc/90/42/08/1075904208.db2.gz NEYGMYKOOWQYIB-OAHLLOKOSA-N 0 1 382.392 -1.228 20 0 GAADMN O=C(Cn1cnnn1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582202344 1075904803 /nfs/dbraw/zinc/90/48/03/1075904803.db2.gz RMMHAYJSWBTVJM-LLVKDONJSA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(Cn1cnnn1)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582202345 1075904721 /nfs/dbraw/zinc/90/47/21/1075904721.db2.gz RMMHAYJSWBTVJM-NSHDSACASA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(Cn1cnnn1)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001582202412 1075905082 /nfs/dbraw/zinc/90/50/82/1075905082.db2.gz VDWKCYOEOBFNSJ-LLVKDONJSA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(Cn1cnnn1)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001582202413 1075905317 /nfs/dbraw/zinc/90/53/17/1075905317.db2.gz VDWKCYOEOBFNSJ-NSHDSACASA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(Cn1cnnn1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582202497 1075905648 /nfs/dbraw/zinc/90/56/48/1075905648.db2.gz YXSZEIXINXVSFZ-LLVKDONJSA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(Cn1cnnn1)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582202498 1075905740 /nfs/dbraw/zinc/90/57/40/1075905740.db2.gz YXSZEIXINXVSFZ-NSHDSACASA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(Cn1cnnn1)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582202514 1075905631 /nfs/dbraw/zinc/90/56/31/1075905631.db2.gz ZSBWUDBHXLHXIC-BMIGLBTASA-N 0 1 382.392 -1.039 20 0 GAADMN O=C(Cn1cnnn1)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582202515 1075905727 /nfs/dbraw/zinc/90/57/27/1075905727.db2.gz ZSBWUDBHXLHXIC-BONVTDFDSA-N 0 1 382.392 -1.039 20 0 GAADMN O=C(Cn1cnnn1)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582202516 1075905665 /nfs/dbraw/zinc/90/56/65/1075905665.db2.gz ZSBWUDBHXLHXIC-MEBBXXQBSA-N 0 1 382.392 -1.039 20 0 GAADMN O=C(Cn1cnnn1)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582202517 1075905765 /nfs/dbraw/zinc/90/57/65/1075905765.db2.gz ZSBWUDBHXLHXIC-ZUZCIYMTSA-N 0 1 382.392 -1.039 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582203009 1075905828 /nfs/dbraw/zinc/90/58/28/1075905828.db2.gz GSYAMWMBIXNODM-XYPYZODXSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1cnnn1)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001582203211 1075905782 /nfs/dbraw/zinc/90/57/82/1075905782.db2.gz LAEIQOZOWONBJS-BONVTDFDSA-N 0 1 382.392 -1.182 20 0 GAADMN O=C(Cn1cnnn1)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001582204152 1075906832 /nfs/dbraw/zinc/90/68/32/1075906832.db2.gz CXCBGIUWWCLATK-FGWVZKOKSA-N 0 1 382.392 -1.041 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582204289 1075907738 /nfs/dbraw/zinc/90/77/38/1075907738.db2.gz IEJMFIAKNHFLBK-GHMZBOCLSA-N 0 1 390.433 -1.334 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582204290 1075907614 /nfs/dbraw/zinc/90/76/14/1075907614.db2.gz IEJMFIAKNHFLBK-MNOVXSKESA-N 0 1 390.433 -1.334 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582204291 1075907702 /nfs/dbraw/zinc/90/77/02/1075907702.db2.gz IEJMFIAKNHFLBK-QWRGUYRKSA-N 0 1 390.433 -1.334 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582204292 1075907637 /nfs/dbraw/zinc/90/76/37/1075907637.db2.gz IEJMFIAKNHFLBK-WDEREUQCSA-N 0 1 390.433 -1.334 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001582204378 1075908290 /nfs/dbraw/zinc/90/82/90/1075908290.db2.gz JRWMDLDHGKWNMO-NXEZZACHSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001582204379 1075908245 /nfs/dbraw/zinc/90/82/45/1075908245.db2.gz JRWMDLDHGKWNMO-UWVGGRQHSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001582204380 1075908328 /nfs/dbraw/zinc/90/83/28/1075908328.db2.gz JRWMDLDHGKWNMO-VHSXEESVSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001582204381 1075908226 /nfs/dbraw/zinc/90/82/26/1075908226.db2.gz JRWMDLDHGKWNMO-ZJUUUORDSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1cnnn1)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582204392 1075908258 /nfs/dbraw/zinc/90/82/58/1075908258.db2.gz KEPNOCFDWASKOT-JTQLQIEISA-N 0 1 376.356 -1.741 20 0 GAADMN O=C(Cn1cnnn1)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582204393 1075908101 /nfs/dbraw/zinc/90/81/01/1075908101.db2.gz KEPNOCFDWASKOT-SNVBAGLBSA-N 0 1 376.356 -1.741 20 0 GAADMN O=C(Cn1cnnn1)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001582204558 1075908745 /nfs/dbraw/zinc/90/87/45/1075908745.db2.gz OHVNPJSLTCYUKV-UHFFFAOYSA-N 0 1 384.408 -1.004 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582204559 1075908752 /nfs/dbraw/zinc/90/87/52/1075908752.db2.gz OHZJFYLLFPZDKO-GHMZBOCLSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582204560 1075908611 /nfs/dbraw/zinc/90/86/11/1075908611.db2.gz OHZJFYLLFPZDKO-MNOVXSKESA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582204561 1075908720 /nfs/dbraw/zinc/90/87/20/1075908720.db2.gz OHZJFYLLFPZDKO-QWRGUYRKSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582204562 1075908731 /nfs/dbraw/zinc/90/87/31/1075908731.db2.gz OHZJFYLLFPZDKO-WDEREUQCSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1cnnn1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001582204749 1075909053 /nfs/dbraw/zinc/90/90/53/1075909053.db2.gz SAHDOFGYJNMHEI-UHFFFAOYSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582204758 1075909292 /nfs/dbraw/zinc/90/92/92/1075909292.db2.gz SKJRSJRTXWICAR-AWEZNQCLSA-N 0 1 390.433 -1.332 20 0 GAADMN O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582204758 1075909285 /nfs/dbraw/zinc/90/92/85/1075909285.db2.gz SKJRSJRTXWICAR-AWEZNQCLSA-N 0 1 390.433 -1.332 20 0 GAADMN O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582204759 1075909042 /nfs/dbraw/zinc/90/90/42/1075909042.db2.gz SKJRSJRTXWICAR-CQSZACIVSA-N 0 1 390.433 -1.332 20 0 GAADMN O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582204759 1075909038 /nfs/dbraw/zinc/90/90/38/1075909038.db2.gz SKJRSJRTXWICAR-CQSZACIVSA-N 0 1 390.433 -1.332 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582204922 1075909566 /nfs/dbraw/zinc/90/95/66/1075909566.db2.gz WWFYVTARYTXYOV-KBPBESRZSA-N 0 1 384.404 -1.395 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582204923 1075909646 /nfs/dbraw/zinc/90/96/46/1075909646.db2.gz WWFYVTARYTXYOV-KGLIPLIRSA-N 0 1 384.404 -1.395 20 0 GAADMN O=C(Cn1cnnn1)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582204924 1075909607 /nfs/dbraw/zinc/90/96/07/1075909607.db2.gz WWFYVTARYTXYOV-UONOGXRCSA-N 0 1 384.404 -1.395 20 0 GAADMN O=C(Cn1cnnn1)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582204925 1075909655 /nfs/dbraw/zinc/90/96/55/1075909655.db2.gz WWFYVTARYTXYOV-ZIAGYGMSSA-N 0 1 384.404 -1.395 20 0 GAADMN O=C(Cn1cnnn1)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001582204954 1075909708 /nfs/dbraw/zinc/90/97/08/1075909708.db2.gz XPISHJMVRSSWOZ-LLVKDONJSA-N 0 1 376.356 -1.741 20 0 GAADMN O=C(Cn1cnnn1)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001582204955 1075909629 /nfs/dbraw/zinc/90/96/29/1075909629.db2.gz XPISHJMVRSSWOZ-NSHDSACASA-N 0 1 376.356 -1.741 20 0 GAADMN O=C(Cn1ncnn1)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001582205133 1075909923 /nfs/dbraw/zinc/90/99/23/1075909923.db2.gz HEDXVDAWOBVUSC-UHFFFAOYSA-N 0 1 385.392 -1.864 20 0 GAADMN O=C(Cn1ncnn1)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001582205141 1075910006 /nfs/dbraw/zinc/91/00/06/1075910006.db2.gz HPODEBLWSRBPLG-LLVKDONJSA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(Cn1ncnn1)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001582205142 1075910089 /nfs/dbraw/zinc/91/00/89/1075910089.db2.gz HPODEBLWSRBPLG-NSHDSACASA-N 0 1 385.392 -1.600 20 0 GAADMN O=C(Cn1ncnn1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582205153 1075909885 /nfs/dbraw/zinc/90/98/85/1075909885.db2.gz HZXNDFOXABEJIG-LLVKDONJSA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(Cn1ncnn1)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582205154 1075910571 /nfs/dbraw/zinc/91/05/71/1075910571.db2.gz HZXNDFOXABEJIG-NSHDSACASA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001582205229 1075910596 /nfs/dbraw/zinc/91/05/96/1075910596.db2.gz LEWKAXXFRZAMDM-WDEREUQCSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1ncnn1)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582205232 1075910612 /nfs/dbraw/zinc/91/06/12/1075910612.db2.gz LGOUTTVCKWTNGW-UHFFFAOYSA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582205233 1075910584 /nfs/dbraw/zinc/91/05/84/1075910584.db2.gz LHBPLKOFRAVXJI-LLVKDONJSA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582205234 1075910459 /nfs/dbraw/zinc/91/04/59/1075910459.db2.gz LHBPLKOFRAVXJI-NSHDSACASA-N 0 1 384.408 -1.194 20 0 GAADMN O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001582205238 1075910605 /nfs/dbraw/zinc/91/06/05/1075910605.db2.gz LJSRIKUCDMCQIT-JTQLQIEISA-N 0 1 390.433 -1.068 20 0 GAADMN O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582205238 1075910602 /nfs/dbraw/zinc/91/06/02/1075910602.db2.gz LJSRIKUCDMCQIT-JTQLQIEISA-N 0 1 390.433 -1.068 20 0 GAADMN O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001582205239 1075910507 /nfs/dbraw/zinc/91/05/07/1075910507.db2.gz LJSRIKUCDMCQIT-SNVBAGLBSA-N 0 1 390.433 -1.068 20 0 GAADMN O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582205239 1075910502 /nfs/dbraw/zinc/91/05/02/1075910502.db2.gz LJSRIKUCDMCQIT-SNVBAGLBSA-N 0 1 390.433 -1.068 20 0 GAADMN O=C(Cn1ncnn1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582205259 1075910532 /nfs/dbraw/zinc/91/05/32/1075910532.db2.gz MBVQJMUMHOXUST-GHMZBOCLSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1ncnn1)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582205260 1075910492 /nfs/dbraw/zinc/91/04/92/1075910492.db2.gz MBVQJMUMHOXUST-MNOVXSKESA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1ncnn1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582205261 1075910629 /nfs/dbraw/zinc/91/06/29/1075910629.db2.gz MBVQJMUMHOXUST-QWRGUYRKSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1ncnn1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582205262 1075910435 /nfs/dbraw/zinc/91/04/35/1075910435.db2.gz MBVQJMUMHOXUST-WDEREUQCSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1ncnn1)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001582205294 1075911081 /nfs/dbraw/zinc/91/10/81/1075911081.db2.gz NODWXCORMUWLPC-MNOVXSKESA-N 0 1 382.392 -1.372 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001582205404 1075911514 /nfs/dbraw/zinc/91/15/14/1075911514.db2.gz SFPVFODVGWWBKN-HNNXBMFYSA-N 0 1 385.392 -1.864 20 0 GAADMN O=C(Cn1ncnn1)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001582205405 1075911362 /nfs/dbraw/zinc/91/13/62/1075911362.db2.gz SFPVFODVGWWBKN-OAHLLOKOSA-N 0 1 385.392 -1.864 20 0 GAADMN O=C(Cn1ncnn1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582205454 1075911642 /nfs/dbraw/zinc/91/16/42/1075911642.db2.gz VWGQFNCBJLAVKL-LLVKDONJSA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(Cn1ncnn1)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582205455 1075911654 /nfs/dbraw/zinc/91/16/54/1075911654.db2.gz VWGQFNCBJLAVKL-NSHDSACASA-N 0 1 384.408 -1.052 20 0 GAADMN O=C(Cn1ncnn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001582205536 1075912035 /nfs/dbraw/zinc/91/20/35/1075912035.db2.gz ZLNSEBNTWWFJAE-PHIMTYICSA-N 0 1 382.392 -1.087 20 0 GAADMN O=C(Cn1ncnn1)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001582205557 1075911894 /nfs/dbraw/zinc/91/18/94/1075911894.db2.gz AFPZRIKYBBOXAR-LLVKDONJSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001582205558 1075911957 /nfs/dbraw/zinc/91/19/57/1075911957.db2.gz AFPZRIKYBBOXAR-NSHDSACASA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1ncnn1)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582205570 1075911912 /nfs/dbraw/zinc/91/19/12/1075911912.db2.gz AJIUNMRTGSNLEI-BMIGLBTASA-N 0 1 382.392 -1.039 20 0 GAADMN O=C(Cn1ncnn1)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582205571 1075911836 /nfs/dbraw/zinc/91/18/36/1075911836.db2.gz AJIUNMRTGSNLEI-BONVTDFDSA-N 0 1 382.392 -1.039 20 0 GAADMN O=C(Cn1ncnn1)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582205572 1075912066 /nfs/dbraw/zinc/91/20/66/1075912066.db2.gz AJIUNMRTGSNLEI-MEBBXXQBSA-N 0 1 382.392 -1.039 20 0 GAADMN O=C(Cn1ncnn1)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582205573 1075911942 /nfs/dbraw/zinc/91/19/42/1075911942.db2.gz AJIUNMRTGSNLEI-ZUZCIYMTSA-N 0 1 382.392 -1.039 20 0 GAADMN O=C(Cn1ncnn1)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001582205605 1075912074 /nfs/dbraw/zinc/91/20/74/1075912074.db2.gz BKHJUZKJAHAOPH-UHFFFAOYSA-N 0 1 385.392 -1.604 20 0 GAADMN O=C(Cn1ncnn1)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001582205694 1075912425 /nfs/dbraw/zinc/91/24/25/1075912425.db2.gz FBYGBVXJTWBNKV-UHFFFAOYSA-N 0 1 384.408 -1.004 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582205863 1075913040 /nfs/dbraw/zinc/91/30/40/1075913040.db2.gz JVKPOIUVTUBUFK-JTQLQIEISA-N 0 1 382.392 -1.182 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001582205864 1075912946 /nfs/dbraw/zinc/91/29/46/1075912946.db2.gz JVKPOIUVTUBUFK-SNVBAGLBSA-N 0 1 382.392 -1.182 20 0 GAADMN O=C(Cn1ncnn1)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001582205917 1075912971 /nfs/dbraw/zinc/91/29/71/1075912971.db2.gz LIDKSRSBUYPHDO-FGWVZKOKSA-N 0 1 382.392 -1.041 20 0 GAADMN O=C(Cn1ncnn1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001582206169 1075913541 /nfs/dbraw/zinc/91/35/41/1075913541.db2.gz MQSZKBGDBUYOMG-UHFFFAOYSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582206182 1075913492 /nfs/dbraw/zinc/91/34/92/1075913492.db2.gz MWVKFICJJGVULL-GHMZBOCLSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582206183 1075913548 /nfs/dbraw/zinc/91/35/48/1075913548.db2.gz MWVKFICJJGVULL-MNOVXSKESA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582206184 1075913514 /nfs/dbraw/zinc/91/35/14/1075913514.db2.gz MWVKFICJJGVULL-QWRGUYRKSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582206185 1075913531 /nfs/dbraw/zinc/91/35/31/1075913531.db2.gz MWVKFICJJGVULL-WDEREUQCSA-N 0 1 384.408 -1.148 20 0 GAADMN O=C(Cn1ncnn1)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582206212 1075913475 /nfs/dbraw/zinc/91/34/75/1075913475.db2.gz NXAKDWVFPHINJH-JTQLQIEISA-N 0 1 376.356 -1.741 20 0 GAADMN O=C(Cn1ncnn1)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582206213 1075913518 /nfs/dbraw/zinc/91/35/18/1075913518.db2.gz NXAKDWVFPHINJH-SNVBAGLBSA-N 0 1 376.356 -1.741 20 0 GAADMN O=C(Cn1ncnn1)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001582206220 1075913890 /nfs/dbraw/zinc/91/38/90/1075913890.db2.gz OFQQCPUOJIZRQL-LLVKDONJSA-N 0 1 376.356 -1.741 20 0 GAADMN O=C(Cn1ncnn1)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001582206221 1075913978 /nfs/dbraw/zinc/91/39/78/1075913978.db2.gz OFQQCPUOJIZRQL-NSHDSACASA-N 0 1 376.356 -1.741 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001582206423 1075913815 /nfs/dbraw/zinc/91/38/15/1075913815.db2.gz ROIOWLCFXFWHCU-AXFHLTTASA-N 0 1 382.392 -1.183 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001582206424 1075913843 /nfs/dbraw/zinc/91/38/43/1075913843.db2.gz ROIOWLCFXFWHCU-DCAQKATOSA-N 0 1 382.392 -1.183 20 0 GAADMN O=C(Cn1ncnn1)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001582206576 1075913910 /nfs/dbraw/zinc/91/39/10/1075913910.db2.gz TZXGMKMIJKORLI-UHFFFAOYSA-N 0 1 385.392 -1.552 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001582206632 1075914448 /nfs/dbraw/zinc/91/44/48/1075914448.db2.gz VBKSFMDSJGLJLI-NXEZZACHSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001582206633 1075914258 /nfs/dbraw/zinc/91/42/58/1075914258.db2.gz VBKSFMDSJGLJLI-UWVGGRQHSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1ncnn1)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001582206634 1075914276 /nfs/dbraw/zinc/91/42/76/1075914276.db2.gz VBKSFMDSJGLJLI-VHSXEESVSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001582206635 1075914459 /nfs/dbraw/zinc/91/44/59/1075914459.db2.gz VBKSFMDSJGLJLI-ZJUUUORDSA-N 0 1 382.392 -1.395 20 0 GAADMN O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582206808 1075914307 /nfs/dbraw/zinc/91/43/07/1075914307.db2.gz WQKNEQNNRRECFB-AWEZNQCLSA-N 0 1 390.433 -1.332 20 0 GAADMN O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582206808 1075914304 /nfs/dbraw/zinc/91/43/04/1075914304.db2.gz WQKNEQNNRRECFB-AWEZNQCLSA-N 0 1 390.433 -1.332 20 0 GAADMN O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582206810 1075914406 /nfs/dbraw/zinc/91/44/06/1075914406.db2.gz WQKNEQNNRRECFB-CQSZACIVSA-N 0 1 390.433 -1.332 20 0 GAADMN O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582206810 1075914402 /nfs/dbraw/zinc/91/44/02/1075914402.db2.gz WQKNEQNNRRECFB-CQSZACIVSA-N 0 1 390.433 -1.332 20 0 GAADMN O=C(N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)C12CCC[NH+]1CCC2 ZINC001582207734 1075916402 /nfs/dbraw/zinc/91/64/02/1075916402.db2.gz DBGWEKBEYYWBLU-UHFFFAOYSA-N 0 1 387.448 -1.060 20 0 GAADMN O=C(N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)C1(F)CCOCC1 ZINC001582208234 1075916264 /nfs/dbraw/zinc/91/62/64/1075916264.db2.gz MIYBPIAETQXFOU-UHFFFAOYSA-N 0 1 380.384 -1.170 20 0 GAADMN O=C(N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1)[C@]12C[C@H]1COC2 ZINC001582211376 1075916174 /nfs/dbraw/zinc/91/61/74/1075916174.db2.gz JXULTSDQAIUNJV-GTNSWQLSSA-N 0 1 386.416 -1.120 20 0 GAADMN O=C(N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@]1(F)CCOC1 ZINC001582212667 1075916204 /nfs/dbraw/zinc/91/62/04/1075916204.db2.gz PCNJUXFWWWRMJM-CVEARBPZSA-N 0 1 392.395 -1.027 20 0 GAADMN O=C(N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@]1(F)CCOC1 ZINC001582212668 1075916337 /nfs/dbraw/zinc/91/63/37/1075916337.db2.gz PCNJUXFWWWRMJM-HOTGVXAUSA-N 0 1 392.395 -1.027 20 0 GAADMN O=C(N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001582212669 1075916184 /nfs/dbraw/zinc/91/61/84/1075916184.db2.gz PCNJUXFWWWRMJM-HZPDHXFCSA-N 0 1 392.395 -1.027 20 0 GAADMN O=C(N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001582212670 1075916315 /nfs/dbraw/zinc/91/63/15/1075916315.db2.gz PCNJUXFWWWRMJM-JKSUJKDBSA-N 0 1 392.395 -1.027 20 0 GAADMN O=C(N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@]1(F)CCOC1 ZINC001582216913 1075916359 /nfs/dbraw/zinc/91/63/59/1075916359.db2.gz CJPBDORUDXFKGA-BMIGLBTASA-N 0 1 378.368 -1.154 20 0 GAADMN O=C(N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@]1(F)CCOC1 ZINC001582216915 1075916158 /nfs/dbraw/zinc/91/61/58/1075916158.db2.gz CJPBDORUDXFKGA-BONVTDFDSA-N 0 1 378.368 -1.154 20 0 GAADMN O=C(N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001582216917 1075916236 /nfs/dbraw/zinc/91/62/36/1075916236.db2.gz CJPBDORUDXFKGA-MEBBXXQBSA-N 0 1 378.368 -1.154 20 0 GAADMN O=C(N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001582216919 1075916249 /nfs/dbraw/zinc/91/62/49/1075916249.db2.gz CJPBDORUDXFKGA-ZUZCIYMTSA-N 0 1 378.368 -1.154 20 0 GAADMN O=C(N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582217311 1075916214 /nfs/dbraw/zinc/91/62/14/1075916214.db2.gz SIKQELLWDNLQRM-GFCCVEGCSA-N 0 1 385.432 -1.186 20 0 GAADMN O=C(N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582217312 1075916822 /nfs/dbraw/zinc/91/68/22/1075916822.db2.gz SIKQELLWDNLQRM-LBPRGKRZSA-N 0 1 385.432 -1.186 20 0 GAADMN O=C(N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@H]1CCCS1(=O)=O ZINC001582223515 1075916866 /nfs/dbraw/zinc/91/68/66/1075916866.db2.gz BMMGXUBJEYNJTL-GHMZBOCLSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@@H]1CCCS1(=O)=O ZINC001582223516 1075916736 /nfs/dbraw/zinc/91/67/36/1075916736.db2.gz BMMGXUBJEYNJTL-MNOVXSKESA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@@H]1CCCS1(=O)=O ZINC001582223517 1075916768 /nfs/dbraw/zinc/91/67/68/1075916768.db2.gz BMMGXUBJEYNJTL-QWRGUYRKSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@H]1CCCS1(=O)=O ZINC001582223518 1075916782 /nfs/dbraw/zinc/91/67/82/1075916782.db2.gz BMMGXUBJEYNJTL-WDEREUQCSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582224205 1075916647 /nfs/dbraw/zinc/91/66/47/1075916647.db2.gz IRRNQKUQAIKGDZ-CHWSQXEVSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582224206 1075916852 /nfs/dbraw/zinc/91/68/52/1075916852.db2.gz IRRNQKUQAIKGDZ-OLZOCXBDSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582224207 1075916788 /nfs/dbraw/zinc/91/67/88/1075916788.db2.gz IRRNQKUQAIKGDZ-QWHCGFSZSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582224208 1075916677 /nfs/dbraw/zinc/91/66/77/1075916677.db2.gz IRRNQKUQAIKGDZ-STQMWFEESA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001582224411 1075916756 /nfs/dbraw/zinc/91/67/56/1075916756.db2.gz KZZBZLMYEACVSA-GHMZBOCLSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001582224412 1075916802 /nfs/dbraw/zinc/91/68/02/1075916802.db2.gz KZZBZLMYEACVSA-MNOVXSKESA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001582224413 1075916638 /nfs/dbraw/zinc/91/66/38/1075916638.db2.gz KZZBZLMYEACVSA-QWRGUYRKSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001582224414 1075916699 /nfs/dbraw/zinc/91/66/99/1075916699.db2.gz KZZBZLMYEACVSA-WDEREUQCSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CS(=O)(=O)C1 ZINC001582225758 1075916615 /nfs/dbraw/zinc/91/66/15/1075916615.db2.gz ZZWFUANNXJYZEC-JTQLQIEISA-N 0 1 378.418 -1.570 20 0 GAADMN O=C(N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CS(=O)(=O)C1 ZINC001582225764 1075916816 /nfs/dbraw/zinc/91/68/16/1075916816.db2.gz ZZWFUANNXJYZEC-SNVBAGLBSA-N 0 1 378.418 -1.570 20 0 GAADMN O=C(CN1CCCC1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582231515 1075917757 /nfs/dbraw/zinc/91/77/57/1075917757.db2.gz CLDKOWWXLNGOJB-UHFFFAOYSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582231560 1075918013 /nfs/dbraw/zinc/91/80/13/1075918013.db2.gz DLILPUHUIJZSAB-UHFFFAOYSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(CN1CCCC1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582232530 1075918433 /nfs/dbraw/zinc/91/84/33/1075918433.db2.gz MVSACSQZIXGIMV-UHFFFAOYSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582233036 1075918447 /nfs/dbraw/zinc/91/84/47/1075918447.db2.gz QYINGBMGRLPNFM-UHFFFAOYSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1)[C@H]1COCCO1 ZINC001582238641 1075920407 /nfs/dbraw/zinc/92/04/07/1075920407.db2.gz GOUUDXGFXAOTIA-LLVKDONJSA-N 0 1 390.404 -1.429 20 0 GAADMN O=C(NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1)[C@@H]1COCCO1 ZINC001582238642 1075920333 /nfs/dbraw/zinc/92/03/33/1075920333.db2.gz GOUUDXGFXAOTIA-NSHDSACASA-N 0 1 390.404 -1.429 20 0 GAADMN O=C(N[C@@]1(CO)CCCN(CCOCCO)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582241542 1075920398 /nfs/dbraw/zinc/92/03/98/1075920398.db2.gz IOVZHONOAPHLKC-INIZCTEOSA-N 0 1 379.421 -1.240 20 0 GAADMN O=C(N[C@]1(CO)CCCN(CCOCCO)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582241543 1075920310 /nfs/dbraw/zinc/92/03/10/1075920310.db2.gz IOVZHONOAPHLKC-MRXNPFEDSA-N 0 1 379.421 -1.240 20 0 GAADMN O=C(NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1=COCCO1 ZINC001582242221 1075920274 /nfs/dbraw/zinc/92/02/74/1075920274.db2.gz LMGFXDMMEWVIPD-UHFFFAOYSA-N 0 1 388.388 -1.008 20 0 GAADMN O=C(NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1COCCO1 ZINC001582242390 1075920322 /nfs/dbraw/zinc/92/03/22/1075920322.db2.gz PKNCNJRDLRXHPI-LLVKDONJSA-N 0 1 390.404 -1.480 20 0 GAADMN O=C(NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1COCCO1 ZINC001582242391 1075920365 /nfs/dbraw/zinc/92/03/65/1075920365.db2.gz PKNCNJRDLRXHPI-NSHDSACASA-N 0 1 390.404 -1.480 20 0 GAADMN O=C(N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1=COCCO1 ZINC001582242876 1075920978 /nfs/dbraw/zinc/92/09/78/1075920978.db2.gz XTSQEMSLZPEJRQ-INIZCTEOSA-N 0 1 388.388 -1.008 20 0 GAADMN O=C(N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1=COCCO1 ZINC001582242877 1075920776 /nfs/dbraw/zinc/92/07/76/1075920776.db2.gz XTSQEMSLZPEJRQ-MRXNPFEDSA-N 0 1 388.388 -1.008 20 0 GAADMN O=C(N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001582243649 1075920712 /nfs/dbraw/zinc/92/07/12/1075920712.db2.gz RFUNEBYPYHYIKH-JJTUWOBKSA-N 0 1 386.416 -1.003 20 0 GAADMN O=C(N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001582243650 1075921323 /nfs/dbraw/zinc/92/13/23/1075921323.db2.gz RFUNEBYPYHYIKH-ZKAWZIJESA-N 0 1 386.416 -1.003 20 0 GAADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582258046 1075921983 /nfs/dbraw/zinc/92/19/83/1075921983.db2.gz JCABUBOWZGTZFI-UHFFFAOYSA-N 0 1 378.418 -1.570 20 0 GAADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001582258265 1075922120 /nfs/dbraw/zinc/92/21/20/1075922120.db2.gz URMFQTTVMSCYFI-ILDUYXDCSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCS1(=O)=O ZINC001582258266 1075922000 /nfs/dbraw/zinc/92/20/00/1075922000.db2.gz URMFQTTVMSCYFI-VQXHTEKXSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582259281 1075921963 /nfs/dbraw/zinc/92/19/63/1075921963.db2.gz BCVQCWIXOCWUBI-SRHKJQAYSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582259282 1075922031 /nfs/dbraw/zinc/92/20/31/1075922031.db2.gz BCVQCWIXOCWUBI-ZPPKWKGLSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582273551 1075922057 /nfs/dbraw/zinc/92/20/57/1075922057.db2.gz QKLKCIFBBAKZFU-GXSJLCMTSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582273553 1075922273 /nfs/dbraw/zinc/92/22/73/1075922273.db2.gz QKLKCIFBBAKZFU-KOLCDFICSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582273555 1075922292 /nfs/dbraw/zinc/92/22/92/1075922292.db2.gz QKLKCIFBBAKZFU-MWLCHTKSSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582273559 1075922317 /nfs/dbraw/zinc/92/23/17/1075922317.db2.gz QKLKCIFBBAKZFU-ONGXEEELSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CS(=O)(=O)C1 ZINC001582276028 1075922441 /nfs/dbraw/zinc/92/24/41/1075922441.db2.gz DUAQQMSWSMZTTD-UHFFFAOYSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582280407 1075922333 /nfs/dbraw/zinc/92/23/33/1075922333.db2.gz HTQZNKWEUPGTJH-GHMZBOCLSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582280408 1075922305 /nfs/dbraw/zinc/92/23/05/1075922305.db2.gz HTQZNKWEUPGTJH-MNOVXSKESA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582280409 1075922341 /nfs/dbraw/zinc/92/23/41/1075922341.db2.gz HTQZNKWEUPGTJH-QWRGUYRKSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582280410 1075922476 /nfs/dbraw/zinc/92/24/76/1075922476.db2.gz HTQZNKWEUPGTJH-WDEREUQCSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CS(=O)(=O)C1 ZINC001582285968 1075922498 /nfs/dbraw/zinc/92/24/98/1075922498.db2.gz RHEQMRWMVGEWGJ-GXSJLCMTSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CS(=O)(=O)C1 ZINC001582285969 1075922257 /nfs/dbraw/zinc/92/22/57/1075922257.db2.gz RHEQMRWMVGEWGJ-KOLCDFICSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CS(=O)(=O)C1 ZINC001582285970 1075922414 /nfs/dbraw/zinc/92/24/14/1075922414.db2.gz RHEQMRWMVGEWGJ-MWLCHTKSSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CS(=O)(=O)C1 ZINC001582285971 1075922281 /nfs/dbraw/zinc/92/22/81/1075922281.db2.gz RHEQMRWMVGEWGJ-ONGXEEELSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303049 1075923349 /nfs/dbraw/zinc/92/33/49/1075923349.db2.gz BIFVJHDWSBKSMW-AAEUAGOBSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303050 1075923248 /nfs/dbraw/zinc/92/32/48/1075923248.db2.gz BIFVJHDWSBKSMW-DGCLKSJQSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303051 1075923271 /nfs/dbraw/zinc/92/32/71/1075923271.db2.gz BIFVJHDWSBKSMW-WCQYABFASA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303052 1075923495 /nfs/dbraw/zinc/92/34/95/1075923495.db2.gz BIFVJHDWSBKSMW-YPMHNXCESA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303454 1075923849 /nfs/dbraw/zinc/92/38/49/1075923849.db2.gz JYDCRLYBVMQOHL-GXTWGEPZSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303455 1075923942 /nfs/dbraw/zinc/92/39/42/1075923942.db2.gz JYDCRLYBVMQOHL-JSGCOSHPSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303456 1075923815 /nfs/dbraw/zinc/92/38/15/1075923815.db2.gz JYDCRLYBVMQOHL-OCCSQVGLSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303457 1075923837 /nfs/dbraw/zinc/92/38/37/1075923837.db2.gz JYDCRLYBVMQOHL-TZMCWYRMSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582303754 1075924281 /nfs/dbraw/zinc/92/42/81/1075924281.db2.gz RVZXWSBNOTWOSH-GWCFXTLKSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582303755 1075924326 /nfs/dbraw/zinc/92/43/26/1075924326.db2.gz RVZXWSBNOTWOSH-GXFFZTMASA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582303756 1075924490 /nfs/dbraw/zinc/92/44/90/1075924490.db2.gz RVZXWSBNOTWOSH-MFKMUULPSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582303757 1075924533 /nfs/dbraw/zinc/92/45/33/1075924533.db2.gz RVZXWSBNOTWOSH-ZWNOBZJWSA-N 0 1 385.388 -1.148 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001582303858 1075924272 /nfs/dbraw/zinc/92/42/72/1075924272.db2.gz VVEFLBPTQDJPMC-GXTWGEPZSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582303859 1075925010 /nfs/dbraw/zinc/92/50/10/1075925010.db2.gz VVEFLBPTQDJPMC-JSGCOSHPSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582303860 1075924951 /nfs/dbraw/zinc/92/49/51/1075924951.db2.gz VVEFLBPTQDJPMC-OCCSQVGLSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001582303861 1075924810 /nfs/dbraw/zinc/92/48/10/1075924810.db2.gz VVEFLBPTQDJPMC-TZMCWYRMSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582303886 1075924907 /nfs/dbraw/zinc/92/49/07/1075924907.db2.gz WRBPYOORDHRGKM-BXUZGUMPSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582303887 1075924891 /nfs/dbraw/zinc/92/48/91/1075924891.db2.gz WRBPYOORDHRGKM-FZMZJTMJSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582303888 1075924958 /nfs/dbraw/zinc/92/49/58/1075924958.db2.gz WRBPYOORDHRGKM-RISCZKNCSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582303889 1075924949 /nfs/dbraw/zinc/92/49/49/1075924949.db2.gz WRBPYOORDHRGKM-SMDDNHRTSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582307489 1075929484 /nfs/dbraw/zinc/92/94/84/1075929484.db2.gz CKENADDSHIJBMF-GWCFXTLKSA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582307490 1075929471 /nfs/dbraw/zinc/92/94/71/1075929471.db2.gz CKENADDSHIJBMF-GXFFZTMASA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582307491 1075929407 /nfs/dbraw/zinc/92/94/07/1075929407.db2.gz CKENADDSHIJBMF-MFKMUULPSA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582307492 1075929279 /nfs/dbraw/zinc/92/92/79/1075929279.db2.gz CKENADDSHIJBMF-ZWNOBZJWSA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(C[C@H](O)CN2CCCC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582307983 1075929792 /nfs/dbraw/zinc/92/97/92/1075929792.db2.gz FQFIABRVZNBVNG-OLZOCXBDSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(C[C@H](O)CN2CCCC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582307984 1075929741 /nfs/dbraw/zinc/92/97/41/1075929741.db2.gz FQFIABRVZNBVNG-STQMWFEESA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308074 1075929868 /nfs/dbraw/zinc/92/98/68/1075929868.db2.gz NABGIVVWXPWEHQ-AAEUAGOBSA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308075 1075929837 /nfs/dbraw/zinc/92/98/37/1075929837.db2.gz NABGIVVWXPWEHQ-DGCLKSJQSA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308076 1075929896 /nfs/dbraw/zinc/92/98/96/1075929896.db2.gz NABGIVVWXPWEHQ-WCQYABFASA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308077 1075929707 /nfs/dbraw/zinc/92/97/07/1075929707.db2.gz NABGIVVWXPWEHQ-YPMHNXCESA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(C[C@H](O)CN2CCCC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308317 1075929660 /nfs/dbraw/zinc/92/96/60/1075929660.db2.gz JDJVXPRKVHYGCP-OLZOCXBDSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(C[C@H](O)CN2CCCC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308318 1075929941 /nfs/dbraw/zinc/92/99/41/1075929941.db2.gz JDJVXPRKVHYGCP-STQMWFEESA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582308613 1075929909 /nfs/dbraw/zinc/92/99/09/1075929909.db2.gz SAYXRRMPKOXSKL-AAEUAGOBSA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582308614 1075929856 /nfs/dbraw/zinc/92/98/56/1075929856.db2.gz SAYXRRMPKOXSKL-DGCLKSJQSA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582308615 1075930327 /nfs/dbraw/zinc/93/03/27/1075930327.db2.gz SAYXRRMPKOXSKL-WCQYABFASA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582308616 1075930317 /nfs/dbraw/zinc/93/03/17/1075930317.db2.gz SAYXRRMPKOXSKL-YPMHNXCESA-N 0 1 389.420 -1.615 20 0 GAADMN O=C(N[C@@H]1CCN(C[C@H](O)CN2CCCC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582308938 1075930506 /nfs/dbraw/zinc/93/05/06/1075930506.db2.gz SQCMBRAZTLHOJS-NEPJUHHUSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(C[C@H](O)CN2CCCC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582308940 1075930442 /nfs/dbraw/zinc/93/04/42/1075930442.db2.gz SQCMBRAZTLHOJS-RYUDHWBXSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001582316840 1075931651 /nfs/dbraw/zinc/93/16/51/1075931651.db2.gz FGFMKEVWVRQCGC-NXEZZACHSA-N 0 1 378.418 -1.214 20 0 GAADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001582316841 1075931477 /nfs/dbraw/zinc/93/14/77/1075931477.db2.gz FGFMKEVWVRQCGC-UWVGGRQHSA-N 0 1 378.418 -1.214 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001582316842 1075931665 /nfs/dbraw/zinc/93/16/65/1075931665.db2.gz FGFMKEVWVRQCGC-VHSXEESVSA-N 0 1 378.418 -1.214 20 0 GAADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001582316843 1075931638 /nfs/dbraw/zinc/93/16/38/1075931638.db2.gz FGFMKEVWVRQCGC-ZJUUUORDSA-N 0 1 378.418 -1.214 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCS1(=O)=O ZINC001582318691 1075931528 /nfs/dbraw/zinc/93/15/28/1075931528.db2.gz YLNOAWWOHJFOHX-NXEZZACHSA-N 0 1 378.418 -1.071 20 0 GAADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001582318692 1075931518 /nfs/dbraw/zinc/93/15/18/1075931518.db2.gz YLNOAWWOHJFOHX-UWVGGRQHSA-N 0 1 378.418 -1.071 20 0 GAADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCS1(=O)=O ZINC001582318693 1075931396 /nfs/dbraw/zinc/93/13/96/1075931396.db2.gz YLNOAWWOHJFOHX-VHSXEESVSA-N 0 1 378.418 -1.071 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001582318694 1075931564 /nfs/dbraw/zinc/93/15/64/1075931564.db2.gz YLNOAWWOHJFOHX-ZJUUUORDSA-N 0 1 378.418 -1.071 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320126 1075931370 /nfs/dbraw/zinc/93/13/70/1075931370.db2.gz VWWVCJUPQNZAPG-NEPJUHHUSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320127 1075931620 /nfs/dbraw/zinc/93/16/20/1075931620.db2.gz VWWVCJUPQNZAPG-NWDGAFQWSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320128 1075931496 /nfs/dbraw/zinc/93/14/96/1075931496.db2.gz VWWVCJUPQNZAPG-RYUDHWBXSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320129 1075931358 /nfs/dbraw/zinc/93/13/58/1075931358.db2.gz VWWVCJUPQNZAPG-VXGBXAGGSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320557 1075931959 /nfs/dbraw/zinc/93/19/59/1075931959.db2.gz HWHRSVOJRLMHLH-AAEUAGOBSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320557 1075931955 /nfs/dbraw/zinc/93/19/55/1075931955.db2.gz HWHRSVOJRLMHLH-AAEUAGOBSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320558 1075932086 /nfs/dbraw/zinc/93/20/86/1075932086.db2.gz HWHRSVOJRLMHLH-DGCLKSJQSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320558 1075932082 /nfs/dbraw/zinc/93/20/82/1075932082.db2.gz HWHRSVOJRLMHLH-DGCLKSJQSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320559 1075932096 /nfs/dbraw/zinc/93/20/96/1075932096.db2.gz HWHRSVOJRLMHLH-WCQYABFASA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320559 1075932092 /nfs/dbraw/zinc/93/20/92/1075932092.db2.gz HWHRSVOJRLMHLH-WCQYABFASA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320560 1075932140 /nfs/dbraw/zinc/93/21/40/1075932140.db2.gz HWHRSVOJRLMHLH-YPMHNXCESA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320560 1075932137 /nfs/dbraw/zinc/93/21/37/1075932137.db2.gz HWHRSVOJRLMHLH-YPMHNXCESA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582323706 1075932645 /nfs/dbraw/zinc/93/26/45/1075932645.db2.gz GPHMHOBBOWGQPK-AAEUAGOBSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582323706 1075932642 /nfs/dbraw/zinc/93/26/42/1075932642.db2.gz GPHMHOBBOWGQPK-AAEUAGOBSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582323707 1075932377 /nfs/dbraw/zinc/93/23/77/1075932377.db2.gz GPHMHOBBOWGQPK-DGCLKSJQSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582323707 1075932368 /nfs/dbraw/zinc/93/23/68/1075932368.db2.gz GPHMHOBBOWGQPK-DGCLKSJQSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582323708 1075932472 /nfs/dbraw/zinc/93/24/72/1075932472.db2.gz GPHMHOBBOWGQPK-WCQYABFASA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582323708 1075932462 /nfs/dbraw/zinc/93/24/62/1075932462.db2.gz GPHMHOBBOWGQPK-WCQYABFASA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582323709 1075932546 /nfs/dbraw/zinc/93/25/46/1075932546.db2.gz GPHMHOBBOWGQPK-YPMHNXCESA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582323709 1075932540 /nfs/dbraw/zinc/93/25/40/1075932540.db2.gz GPHMHOBBOWGQPK-YPMHNXCESA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)c1nc[nH]n1 ZINC001582336748 1075934356 /nfs/dbraw/zinc/93/43/56/1075934356.db2.gz KFBHQXCWTNYREJ-SECBINFHSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)c1ncn[nH]1 ZINC001582336748 1075934352 /nfs/dbraw/zinc/93/43/52/1075934352.db2.gz KFBHQXCWTNYREJ-SECBINFHSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)c1nc[nH]n1 ZINC001582336749 1075934618 /nfs/dbraw/zinc/93/46/18/1075934618.db2.gz KFBHQXCWTNYREJ-VIFPVBQESA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)c1ncn[nH]1 ZINC001582336749 1075934615 /nfs/dbraw/zinc/93/46/15/1075934615.db2.gz KFBHQXCWTNYREJ-VIFPVBQESA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)c1cnn[nH]1 ZINC001582336829 1075934641 /nfs/dbraw/zinc/93/46/41/1075934641.db2.gz MRKITJXTBRUPPF-SECBINFHSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)c1cnn[nH]1 ZINC001582336830 1075934366 /nfs/dbraw/zinc/93/43/66/1075934366.db2.gz MRKITJXTBRUPPF-VIFPVBQESA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(CNC(=O)C1CC1)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582337669 1075934604 /nfs/dbraw/zinc/93/46/04/1075934604.db2.gz QTTZUTCWJJXVGP-UHFFFAOYSA-N 0 1 375.393 -2.162 20 0 GAADMN O=C(CNC(=O)C1CC1)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001582338393 1075934428 /nfs/dbraw/zinc/93/44/28/1075934428.db2.gz FBDLHGIIBSKJNR-GFCCVEGCSA-N 0 1 386.416 -1.151 20 0 GAADMN O=C(CNC(=O)C1CC1)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001582338396 1075934379 /nfs/dbraw/zinc/93/43/79/1075934379.db2.gz FBDLHGIIBSKJNR-LBPRGKRZSA-N 0 1 386.416 -1.151 20 0 GAADMN O=C(CNC(=O)C1CC1)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582338829 1075934960 /nfs/dbraw/zinc/93/49/60/1075934960.db2.gz OAAKZKZDUNLQML-LLVKDONJSA-N 0 1 387.404 -1.756 20 0 GAADMN O=C(CNC(=O)C1CC1)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582338830 1075935031 /nfs/dbraw/zinc/93/50/31/1075935031.db2.gz OAAKZKZDUNLQML-NSHDSACASA-N 0 1 387.404 -1.756 20 0 GAADMN O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCOC[C@@H]1c1nn[nH]n1 ZINC001582339157 1075935046 /nfs/dbraw/zinc/93/50/46/1075935046.db2.gz VNFPUMQFJWYSNH-LLVKDONJSA-N 0 1 384.360 -1.290 20 0 GAADMN O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCOC[C@H]1c1nn[nH]n1 ZINC001582339158 1075935061 /nfs/dbraw/zinc/93/50/61/1075935061.db2.gz VNFPUMQFJWYSNH-NSHDSACASA-N 0 1 384.360 -1.290 20 0 GAADMN O=C(CN[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCCCC1 ZINC001582341450 1075936136 /nfs/dbraw/zinc/93/61/36/1075936136.db2.gz TWLXSWICAFQMOY-GFCCVEGCSA-N 0 1 376.421 -1.112 20 0 GAADMN O=C(CN[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCCCC1 ZINC001582341452 1075936211 /nfs/dbraw/zinc/93/62/11/1075936211.db2.gz TWLXSWICAFQMOY-LBPRGKRZSA-N 0 1 376.421 -1.112 20 0 GAADMN O=C(CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC1 ZINC001582341586 1075936705 /nfs/dbraw/zinc/93/67/05/1075936705.db2.gz WGWHZILCIGKDMF-GFCCVEGCSA-N 0 1 376.421 -1.112 20 0 GAADMN O=C(CN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC1 ZINC001582341587 1075936715 /nfs/dbraw/zinc/93/67/15/1075936715.db2.gz WGWHZILCIGKDMF-LBPRGKRZSA-N 0 1 376.421 -1.112 20 0 GAADMN O=C(NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)c1c[nH]c(=O)cn1 ZINC001582341774 1075936627 /nfs/dbraw/zinc/93/66/27/1075936627.db2.gz QKTILNNTLJZEAQ-JTQLQIEISA-N 0 1 388.363 -1.030 20 0 GAADMN O=C(NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)c1c[nH]c(=O)cn1 ZINC001582341775 1075936691 /nfs/dbraw/zinc/93/66/91/1075936691.db2.gz QKTILNNTLJZEAQ-SNVBAGLBSA-N 0 1 388.363 -1.030 20 0 GAADMN O=C(CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC001582341812 1075936665 /nfs/dbraw/zinc/93/66/65/1075936665.db2.gz YKRSSKGPNDUDJP-LLVKDONJSA-N 0 1 378.393 -2.266 20 0 GAADMN O=C(CN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC001582341813 1075936588 /nfs/dbraw/zinc/93/65/88/1075936588.db2.gz YKRSSKGPNDUDJP-NSHDSACASA-N 0 1 378.393 -2.266 20 0 GAADMN O=C(CN[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCOCC1 ZINC001582341837 1075936723 /nfs/dbraw/zinc/93/67/23/1075936723.db2.gz YUIGZJDALFGTMP-JTQLQIEISA-N 0 1 378.393 -2.266 20 0 GAADMN O=C(CN[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCOCC1 ZINC001582341838 1075936644 /nfs/dbraw/zinc/93/66/44/1075936644.db2.gz YUIGZJDALFGTMP-SNVBAGLBSA-N 0 1 378.393 -2.266 20 0 GAADMN O=C(CN[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCCCC1 ZINC001582341885 1075936976 /nfs/dbraw/zinc/93/69/76/1075936976.db2.gz ZFRLGQLGWWTKMP-LLVKDONJSA-N 0 1 376.421 -1.112 20 0 GAADMN O=C(CN[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCCCC1 ZINC001582341886 1075937068 /nfs/dbraw/zinc/93/70/68/1075937068.db2.gz ZFRLGQLGWWTKMP-NSHDSACASA-N 0 1 376.421 -1.112 20 0 GAADMN O=C(NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COCCO1 ZINC001582341892 1075937148 /nfs/dbraw/zinc/93/71/48/1075937148.db2.gz RHQXIJUYEVUMIS-BXUZGUMPSA-N 0 1 380.380 -1.012 20 0 GAADMN O=C(NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COCCO1 ZINC001582341895 1075937060 /nfs/dbraw/zinc/93/70/60/1075937060.db2.gz RHQXIJUYEVUMIS-FZMZJTMJSA-N 0 1 380.380 -1.012 20 0 GAADMN O=C(NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COCCO1 ZINC001582341899 1075936989 /nfs/dbraw/zinc/93/69/89/1075936989.db2.gz RHQXIJUYEVUMIS-RISCZKNCSA-N 0 1 380.380 -1.012 20 0 GAADMN O=C(NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COCCO1 ZINC001582341902 1075936954 /nfs/dbraw/zinc/93/69/54/1075936954.db2.gz RHQXIJUYEVUMIS-SMDDNHRTSA-N 0 1 380.380 -1.012 20 0 GAADMN O=C(NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)cc1)C1CS(=O)(=O)C1 ZINC001582342134 1075937047 /nfs/dbraw/zinc/93/70/47/1075937047.db2.gz WYOZBCDFSVMYNZ-CYBMUJFWSA-N 0 1 380.430 -1.522 20 0 GAADMN O=C(NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)cc1)C1CS(=O)(=O)C1 ZINC001582342135 1075937000 /nfs/dbraw/zinc/93/70/00/1075937000.db2.gz WYOZBCDFSVMYNZ-ZDUSSCGKSA-N 0 1 380.430 -1.522 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1)c1cnn[nH]1 ZINC001582343689 1075937383 /nfs/dbraw/zinc/93/73/83/1075937383.db2.gz BTGQPDAOLWMCCH-SECBINFHSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1)c1cnn[nH]1 ZINC001582343690 1075937593 /nfs/dbraw/zinc/93/75/93/1075937593.db2.gz BTGQPDAOLWMCCH-VIFPVBQESA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1)c1nc[nH]n1 ZINC001582343885 1075937500 /nfs/dbraw/zinc/93/75/00/1075937500.db2.gz HKYWIRDMYVCIQR-MRVPVSSYSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1)c1ncn[nH]1 ZINC001582343885 1075937498 /nfs/dbraw/zinc/93/74/98/1075937498.db2.gz HKYWIRDMYVCIQR-MRVPVSSYSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1)c1nc[nH]n1 ZINC001582343886 1075937588 /nfs/dbraw/zinc/93/75/88/1075937588.db2.gz HKYWIRDMYVCIQR-QMMMGPOBSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1)c1ncn[nH]1 ZINC001582343886 1075937586 /nfs/dbraw/zinc/93/75/86/1075937586.db2.gz HKYWIRDMYVCIQR-QMMMGPOBSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1)c1nc[nH]n1 ZINC001582344658 1075937942 /nfs/dbraw/zinc/93/79/42/1075937942.db2.gz MGLAIFASRVKEMP-SECBINFHSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1)c1ncn[nH]1 ZINC001582344658 1075937938 /nfs/dbraw/zinc/93/79/38/1075937938.db2.gz MGLAIFASRVKEMP-SECBINFHSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1)c1nc[nH]n1 ZINC001582344660 1075937974 /nfs/dbraw/zinc/93/79/74/1075937974.db2.gz MGLAIFASRVKEMP-VIFPVBQESA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1)c1ncn[nH]1 ZINC001582344660 1075937971 /nfs/dbraw/zinc/93/79/71/1075937971.db2.gz MGLAIFASRVKEMP-VIFPVBQESA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(NC[C@H](CO)NCc1cccc(-c2nn[nH]n2)c1)C1CS(=O)(=O)C1 ZINC001582345074 1075938251 /nfs/dbraw/zinc/93/82/51/1075938251.db2.gz BPDLRBNXBCFIQM-CYBMUJFWSA-N 0 1 380.430 -1.522 20 0 GAADMN O=C(NC[C@@H](CO)NCc1cccc(-c2nn[nH]n2)c1)C1CS(=O)(=O)C1 ZINC001582345075 1075938160 /nfs/dbraw/zinc/93/81/60/1075938160.db2.gz BPDLRBNXBCFIQM-ZDUSSCGKSA-N 0 1 380.430 -1.522 20 0 GAADMN O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c(=O)cn1 ZINC001582345944 1075938306 /nfs/dbraw/zinc/93/83/06/1075938306.db2.gz OCYDKHXGJJXUGE-MRVPVSSYSA-N 0 1 376.402 -1.108 20 0 GAADMN O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c(=O)cn1 ZINC001582345945 1075938295 /nfs/dbraw/zinc/93/82/95/1075938295.db2.gz OCYDKHXGJJXUGE-QMMMGPOBSA-N 0 1 376.402 -1.108 20 0 GAADMN O=C(N[C@H]1COC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1)c1cnn[nH]1 ZINC001582347866 1075938207 /nfs/dbraw/zinc/93/82/07/1075938207.db2.gz YMJKRQZWPIIQEJ-MRVPVSSYSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1)c1cnn[nH]1 ZINC001582347868 1075938337 /nfs/dbraw/zinc/93/83/37/1075938337.db2.gz YMJKRQZWPIIQEJ-QMMMGPOBSA-N 0 1 384.360 -1.274 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1occ2c1CCOC2 ZINC001582348666 1075938812 /nfs/dbraw/zinc/93/88/12/1075938812.db2.gz AWGQAZZLUCPFLK-JTQLQIEISA-N 0 1 386.372 -1.053 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1occ2c1CCOC2 ZINC001582348667 1075938621 /nfs/dbraw/zinc/93/86/21/1075938621.db2.gz AWGQAZZLUCPFLK-SNVBAGLBSA-N 0 1 386.372 -1.053 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1Cc2ccccc2O1 ZINC001582348686 1075938658 /nfs/dbraw/zinc/93/86/58/1075938658.db2.gz BCSYJEFLVYZNHD-AAEUAGOBSA-N 0 1 382.384 -1.029 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1Cc2ccccc2O1 ZINC001582348687 1075938751 /nfs/dbraw/zinc/93/87/51/1075938751.db2.gz BCSYJEFLVYZNHD-DGCLKSJQSA-N 0 1 382.384 -1.029 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1Cc2ccccc2O1 ZINC001582348688 1075938677 /nfs/dbraw/zinc/93/86/77/1075938677.db2.gz BCSYJEFLVYZNHD-WCQYABFASA-N 0 1 382.384 -1.029 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1Cc2ccccc2O1 ZINC001582348689 1075938761 /nfs/dbraw/zinc/93/87/61/1075938761.db2.gz BCSYJEFLVYZNHD-YPMHNXCESA-N 0 1 382.384 -1.029 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cc2cccn2cn1 ZINC001582348820 1075938781 /nfs/dbraw/zinc/93/87/81/1075938781.db2.gz CIIMEYIJZVLXTF-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cc2cccn2cn1 ZINC001582348821 1075938566 /nfs/dbraw/zinc/93/85/66/1075938566.db2.gz CIIMEYIJZVLXTF-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(CC2CC2)c1 ZINC001582348840 1075938638 /nfs/dbraw/zinc/93/86/38/1075938638.db2.gz CUBLHKLXDYMOIQ-GFCCVEGCSA-N 0 1 384.404 -1.112 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(CC2CC2)c1 ZINC001582348841 1075938789 /nfs/dbraw/zinc/93/87/89/1075938789.db2.gz CUBLHKLXDYMOIQ-LBPRGKRZSA-N 0 1 384.404 -1.112 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(CCF)c1 ZINC001582348846 1075938741 /nfs/dbraw/zinc/93/87/41/1075938741.db2.gz CXMWVYWQKCTONI-JTQLQIEISA-N 0 1 376.356 -1.553 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(CCF)c1 ZINC001582348847 1075938807 /nfs/dbraw/zinc/93/88/07/1075938807.db2.gz CXMWVYWQKCTONI-SNVBAGLBSA-N 0 1 376.356 -1.553 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnc2n1CCCC2 ZINC001582348884 1075939163 /nfs/dbraw/zinc/93/91/63/1075939163.db2.gz DTBPRWXKVAJXBO-JTQLQIEISA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnc2n1CCCC2 ZINC001582348885 1075939044 /nfs/dbraw/zinc/93/90/44/1075939044.db2.gz DTBPRWXKVAJXBO-SNVBAGLBSA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn2c1OCCC2 ZINC001582349030 1075939115 /nfs/dbraw/zinc/93/91/15/1075939115.db2.gz FPMCAUXCAQLZDJ-SECBINFHSA-N 0 1 386.376 -1.740 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn2c1OCCC2 ZINC001582349031 1075939075 /nfs/dbraw/zinc/93/90/75/1075939075.db2.gz FPMCAUXCAQLZDJ-VIFPVBQESA-N 0 1 386.376 -1.740 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ccn(C(F)F)n1 ZINC001582349040 1075939095 /nfs/dbraw/zinc/93/90/95/1075939095.db2.gz FSFBSRMERQIWFJ-SSDOTTSWSA-N 0 1 380.319 -1.127 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ccn(C(F)F)n1 ZINC001582349041 1075938982 /nfs/dbraw/zinc/93/89/82/1075938982.db2.gz FSFBSRMERQIWFJ-ZETCQYMHSA-N 0 1 380.319 -1.127 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cc(C(F)F)n[nH]1 ZINC001582349066 1075939223 /nfs/dbraw/zinc/93/92/23/1075939223.db2.gz GGAJIGFPQROCOR-LURJTMIESA-N 0 1 380.319 -1.058 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cc(C(F)F)n[nH]1 ZINC001582349067 1075939131 /nfs/dbraw/zinc/93/91/31/1075939131.db2.gz GGAJIGFPQROCOR-ZCFIWIBFSA-N 0 1 380.319 -1.058 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1n[nH]c2c1CCCC2 ZINC001582349078 1075939264 /nfs/dbraw/zinc/93/92/64/1075939264.db2.gz GPUBGGRPNVMHLN-SECBINFHSA-N 0 1 384.404 -1.117 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1n[nH]c2c1CCCC2 ZINC001582349079 1075939243 /nfs/dbraw/zinc/93/92/43/1075939243.db2.gz GPUBGGRPNVMHLN-VIFPVBQESA-N 0 1 384.404 -1.117 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2cncn2C1 ZINC001582349480 1075939028 /nfs/dbraw/zinc/93/90/28/1075939028.db2.gz KRIYGCYAVLATLO-GHMZBOCLSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2cncn2C1 ZINC001582349481 1075938967 /nfs/dbraw/zinc/93/89/67/1075938967.db2.gz KRIYGCYAVLATLO-MNOVXSKESA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2cncn2C1 ZINC001582349482 1075939201 /nfs/dbraw/zinc/93/92/01/1075939201.db2.gz KRIYGCYAVLATLO-QWRGUYRKSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2cncn2C1 ZINC001582349483 1075939010 /nfs/dbraw/zinc/93/90/10/1075939010.db2.gz KRIYGCYAVLATLO-WDEREUQCSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCS1(=O)=O ZINC001582349626 1075939182 /nfs/dbraw/zinc/93/91/82/1075939182.db2.gz LRJJMBFMJMQAOD-BXKDBHETSA-N 0 1 381.418 -1.850 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCS1(=O)=O ZINC001582349628 1075939057 /nfs/dbraw/zinc/93/90/57/1075939057.db2.gz LRJJMBFMJMQAOD-CABZTGNLSA-N 0 1 381.418 -1.850 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCS1(=O)=O ZINC001582349630 1075939499 /nfs/dbraw/zinc/93/94/99/1075939499.db2.gz LRJJMBFMJMQAOD-JOYOIKCWSA-N 0 1 381.418 -1.850 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCS1(=O)=O ZINC001582349632 1075939687 /nfs/dbraw/zinc/93/96/87/1075939687.db2.gz LRJJMBFMJMQAOD-SKDRFNHKSA-N 0 1 381.418 -1.850 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cncnc1C1CC1 ZINC001582349704 1075939624 /nfs/dbraw/zinc/93/96/24/1075939624.db2.gz MZMJLOKLXQTKQZ-JTQLQIEISA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cncnc1C1CC1 ZINC001582349705 1075939695 /nfs/dbraw/zinc/93/96/95/1075939695.db2.gz MZMJLOKLXQTKQZ-SNVBAGLBSA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582349710 1075939578 /nfs/dbraw/zinc/93/95/78/1075939578.db2.gz NBQZOSFYHFAEAM-MRBYEJRBSA-N 0 1 390.404 -1.981 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582349711 1075939707 /nfs/dbraw/zinc/93/97/07/1075939707.db2.gz NBQZOSFYHFAEAM-SRRSOLGSSA-N 0 1 390.404 -1.981 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C(F)F)c1 ZINC001582349819 1075939569 /nfs/dbraw/zinc/93/95/69/1075939569.db2.gz OHEYEBFXHCQNRR-MRVPVSSYSA-N 0 1 380.319 -1.127 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C(F)F)c1 ZINC001582349821 1075939540 /nfs/dbraw/zinc/93/95/40/1075939540.db2.gz OHEYEBFXHCQNRR-QMMMGPOBSA-N 0 1 380.319 -1.127 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1Cc2cccnc2C1 ZINC001582350056 1075939638 /nfs/dbraw/zinc/93/96/38/1075939638.db2.gz QDTOZCVWUONRBU-NEPJUHHUSA-N 0 1 381.400 -1.222 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1Cc2cccnc2C1 ZINC001582350062 1075939604 /nfs/dbraw/zinc/93/96/04/1075939604.db2.gz QDTOZCVWUONRBU-NWDGAFQWSA-N 0 1 381.400 -1.222 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1Cc2cccnc2C1 ZINC001582350064 1075939648 /nfs/dbraw/zinc/93/96/48/1075939648.db2.gz QDTOZCVWUONRBU-RYUDHWBXSA-N 0 1 381.400 -1.222 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1Cc2cccnc2C1 ZINC001582350065 1075939681 /nfs/dbraw/zinc/93/96/81/1075939681.db2.gz QDTOZCVWUONRBU-VXGBXAGGSA-N 0 1 381.400 -1.222 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCn2ccnc2C1 ZINC001582350374 1075940485 /nfs/dbraw/zinc/94/04/85/1075940485.db2.gz WGPKVKQXCIRLBG-GHMZBOCLSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCn2ccnc2C1 ZINC001582350375 1075940574 /nfs/dbraw/zinc/94/05/74/1075940574.db2.gz WGPKVKQXCIRLBG-MNOVXSKESA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCn2ccnc2C1 ZINC001582350376 1075940621 /nfs/dbraw/zinc/94/06/21/1075940621.db2.gz WGPKVKQXCIRLBG-QWRGUYRKSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCn2ccnc2C1 ZINC001582350377 1075940556 /nfs/dbraw/zinc/94/05/56/1075940556.db2.gz WGPKVKQXCIRLBG-WDEREUQCSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582350388 1075940608 /nfs/dbraw/zinc/94/06/08/1075940608.db2.gz WNCBAQRZNNMIGY-JUFZMCDQSA-N 0 1 389.416 -1.376 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582350389 1075940499 /nfs/dbraw/zinc/94/04/99/1075940499.db2.gz WNCBAQRZNNMIGY-OZTPJHRESA-N 0 1 389.416 -1.376 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cn2c(n1)COCC2 ZINC001582350394 1075940539 /nfs/dbraw/zinc/94/05/39/1075940539.db2.gz WPQUBEBINPVNSB-SECBINFHSA-N 0 1 386.376 -1.992 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cn2c(n1)COCC2 ZINC001582350395 1075940548 /nfs/dbraw/zinc/94/05/48/1075940548.db2.gz WPQUBEBINPVNSB-VIFPVBQESA-N 0 1 386.376 -1.992 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCc2n[nH]cc21 ZINC001582350440 1075940602 /nfs/dbraw/zinc/94/06/02/1075940602.db2.gz XGXXLZRAGRBMRO-NXEZZACHSA-N 0 1 384.404 -1.189 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCc2n[nH]cc21 ZINC001582350441 1075940594 /nfs/dbraw/zinc/94/05/94/1075940594.db2.gz XGXXLZRAGRBMRO-UWVGGRQHSA-N 0 1 384.404 -1.189 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCc2n[nH]cc21 ZINC001582350442 1075940564 /nfs/dbraw/zinc/94/05/64/1075940564.db2.gz XGXXLZRAGRBMRO-VHSXEESVSA-N 0 1 384.404 -1.189 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCc2n[nH]cc21 ZINC001582350443 1075940414 /nfs/dbraw/zinc/94/04/14/1075940414.db2.gz XGXXLZRAGRBMRO-ZJUUUORDSA-N 0 1 384.404 -1.189 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCn2cncc2C1 ZINC001582350446 1075940438 /nfs/dbraw/zinc/94/04/38/1075940438.db2.gz XHAGDCAVQGOPHK-GHMZBOCLSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCn2cncc2C1 ZINC001582350447 1075940366 /nfs/dbraw/zinc/94/03/66/1075940366.db2.gz XHAGDCAVQGOPHK-MNOVXSKESA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCn2cncc2C1 ZINC001582350448 1075940465 /nfs/dbraw/zinc/94/04/65/1075940465.db2.gz XHAGDCAVQGOPHK-QWRGUYRKSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCn2cncc2C1 ZINC001582350449 1075940583 /nfs/dbraw/zinc/94/05/83/1075940583.db2.gz XHAGDCAVQGOPHK-WDEREUQCSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cc2n(n1)CCCO2 ZINC001582350516 1075940525 /nfs/dbraw/zinc/94/05/25/1075940525.db2.gz YXEPIJWZNCSHRM-SECBINFHSA-N 0 1 386.376 -1.740 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cc2n(n1)CCCO2 ZINC001582350517 1075940394 /nfs/dbraw/zinc/94/03/94/1075940394.db2.gz YXEPIJWZNCSHRM-VIFPVBQESA-N 0 1 386.376 -1.740 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ccnc(C2CC2)n1 ZINC001582350546 1075940509 /nfs/dbraw/zinc/94/05/09/1075940509.db2.gz ZGWBFZHBSVWJTQ-JTQLQIEISA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ccnc(C2CC2)n1 ZINC001582350547 1075940614 /nfs/dbraw/zinc/94/06/14/1075940614.db2.gz ZGWBFZHBSVWJTQ-SNVBAGLBSA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn2c1OCCC2 ZINC001582352040 1075940947 /nfs/dbraw/zinc/94/09/47/1075940947.db2.gz FDENHEAQTOQOFR-JTQLQIEISA-N 0 1 385.388 -1.135 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn2c1OCCC2 ZINC001582352041 1075940989 /nfs/dbraw/zinc/94/09/89/1075940989.db2.gz FDENHEAQTOQOFR-SNVBAGLBSA-N 0 1 385.388 -1.135 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cn2c(n1)COCC2 ZINC001582352208 1075940877 /nfs/dbraw/zinc/94/08/77/1075940877.db2.gz JAMNLTIFPOBTGP-JTQLQIEISA-N 0 1 385.388 -1.387 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cn2c(n1)COCC2 ZINC001582352209 1075940977 /nfs/dbraw/zinc/94/09/77/1075940977.db2.gz JAMNLTIFPOBTGP-SNVBAGLBSA-N 0 1 385.388 -1.387 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnc2n1CCOC2 ZINC001582352778 1075940834 /nfs/dbraw/zinc/94/08/34/1075940834.db2.gz VKUFTNOVMZAXGI-JTQLQIEISA-N 0 1 385.388 -1.387 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnc2n1CCOC2 ZINC001582352779 1075940910 /nfs/dbraw/zinc/94/09/10/1075940910.db2.gz VKUFTNOVMZAXGI-SNVBAGLBSA-N 0 1 385.388 -1.387 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn2cccnc12 ZINC001582352792 1075940918 /nfs/dbraw/zinc/94/09/18/1075940918.db2.gz VRLGOJFCXSCMER-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn2cccnc12 ZINC001582352793 1075941031 /nfs/dbraw/zinc/94/10/31/1075941031.db2.gz VRLGOJFCXSCMER-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cc2n(n1)CCCO2 ZINC001582352844 1075940823 /nfs/dbraw/zinc/94/08/23/1075940823.db2.gz WXHWJDCGPKYVHA-JTQLQIEISA-N 0 1 385.388 -1.135 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cc2n(n1)CCCO2 ZINC001582352845 1075940841 /nfs/dbraw/zinc/94/08/41/1075940841.db2.gz WXHWJDCGPKYVHA-SNVBAGLBSA-N 0 1 385.388 -1.135 20 0 GAADMN O=C(NCC(F)F)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582356931 1075941752 /nfs/dbraw/zinc/94/17/52/1075941752.db2.gz BXUILZYUWFAPBM-MRVPVSSYSA-N 0 1 381.347 -1.137 20 0 GAADMN O=C(NCC(F)F)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582357235 1075941832 /nfs/dbraw/zinc/94/18/32/1075941832.db2.gz FSMJFMXPYJSAFR-MRVPVSSYSA-N 0 1 381.347 -1.280 20 0 GAADMN O=C(NCC(F)F)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582357236 1075941881 /nfs/dbraw/zinc/94/18/81/1075941881.db2.gz FSMJFMXPYJSAFR-QMMMGPOBSA-N 0 1 381.347 -1.280 20 0 GAADMN O=C(NCC(F)F)C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001582358682 1075941791 /nfs/dbraw/zinc/94/17/91/1075941791.db2.gz RUGNVOLMYPXCHW-UHFFFAOYSA-N 0 1 384.347 -1.702 20 0 GAADMN O=C(NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CS(=O)(=O)C1 ZINC001582363158 1075941906 /nfs/dbraw/zinc/94/19/06/1075941906.db2.gz LAARCKJJBPFAKU-JTQLQIEISA-N 0 1 378.418 -1.570 20 0 GAADMN O=C(NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CS(=O)(=O)C1 ZINC001582363160 1075942216 /nfs/dbraw/zinc/94/22/16/1075942216.db2.gz LAARCKJJBPFAKU-SNVBAGLBSA-N 0 1 378.418 -1.570 20 0 GAADMN O=C(NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@H]1CCCS1(=O)=O ZINC001582363376 1075942468 /nfs/dbraw/zinc/94/24/68/1075942468.db2.gz MPVGZYGIEGZPPL-GHMZBOCLSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@@H]1CCCS1(=O)=O ZINC001582363378 1075942350 /nfs/dbraw/zinc/94/23/50/1075942350.db2.gz MPVGZYGIEGZPPL-MNOVXSKESA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@@H]1CCCS1(=O)=O ZINC001582363380 1075942413 /nfs/dbraw/zinc/94/24/13/1075942413.db2.gz MPVGZYGIEGZPPL-QWRGUYRKSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)[C@H]1CCCS1(=O)=O ZINC001582363382 1075942197 /nfs/dbraw/zinc/94/21/97/1075942197.db2.gz MPVGZYGIEGZPPL-WDEREUQCSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582364442 1075942229 /nfs/dbraw/zinc/94/22/29/1075942229.db2.gz URMKMFXUYCTJAW-CHWSQXEVSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582364443 1075942260 /nfs/dbraw/zinc/94/22/60/1075942260.db2.gz URMKMFXUYCTJAW-OLZOCXBDSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582364444 1075942365 /nfs/dbraw/zinc/94/23/65/1075942365.db2.gz URMKMFXUYCTJAW-QWHCGFSZSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582364445 1075942422 /nfs/dbraw/zinc/94/24/22/1075942422.db2.gz URMKMFXUYCTJAW-STQMWFEESA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COCCO1 ZINC001582369974 1075944376 /nfs/dbraw/zinc/94/43/76/1075944376.db2.gz MNONIINOWPZFLS-GXTWGEPZSA-N 0 1 380.380 -1.012 20 0 GAADMN O=C(NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COCCO1 ZINC001582369975 1075944454 /nfs/dbraw/zinc/94/44/54/1075944454.db2.gz MNONIINOWPZFLS-JSGCOSHPSA-N 0 1 380.380 -1.012 20 0 GAADMN O=C(NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COCCO1 ZINC001582369976 1075944411 /nfs/dbraw/zinc/94/44/11/1075944411.db2.gz MNONIINOWPZFLS-OCCSQVGLSA-N 0 1 380.380 -1.012 20 0 GAADMN O=C(NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COCCO1 ZINC001582369977 1075944417 /nfs/dbraw/zinc/94/44/17/1075944417.db2.gz MNONIINOWPZFLS-TZMCWYRMSA-N 0 1 380.380 -1.012 20 0 GAADMN O=C(NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)c1c[nH]c(=O)cn1 ZINC001582370172 1075944390 /nfs/dbraw/zinc/94/43/90/1075944390.db2.gz OOELTURUQXYOBE-LLVKDONJSA-N 0 1 388.363 -1.030 20 0 GAADMN O=C(NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)c1c[nH]c(=O)cn1 ZINC001582370173 1075944807 /nfs/dbraw/zinc/94/48/07/1075944807.db2.gz OOELTURUQXYOBE-NSHDSACASA-N 0 1 388.363 -1.030 20 0 GAADMN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CS(=O)(=O)C1 ZINC001582371582 1075944841 /nfs/dbraw/zinc/94/48/41/1075944841.db2.gz HNILBEJVUBBGQF-SECBINFHSA-N 0 1 386.459 -1.461 20 0 GAADMN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CS(=O)(=O)C1 ZINC001582371582 1075944836 /nfs/dbraw/zinc/94/48/36/1075944836.db2.gz HNILBEJVUBBGQF-SECBINFHSA-N 0 1 386.459 -1.461 20 0 GAADMN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CS(=O)(=O)C1 ZINC001582371584 1075944799 /nfs/dbraw/zinc/94/47/99/1075944799.db2.gz HNILBEJVUBBGQF-VIFPVBQESA-N 0 1 386.459 -1.461 20 0 GAADMN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CS(=O)(=O)C1 ZINC001582371584 1075944798 /nfs/dbraw/zinc/94/47/98/1075944798.db2.gz HNILBEJVUBBGQF-VIFPVBQESA-N 0 1 386.459 -1.461 20 0 GAADMN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]c(=O)cn1 ZINC001582373792 1075945388 /nfs/dbraw/zinc/94/53/88/1075945388.db2.gz VLCCRKAQYJYJDI-MRVPVSSYSA-N 0 1 376.402 -1.108 20 0 GAADMN O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c(=O)cn1 ZINC001582373792 1075945386 /nfs/dbraw/zinc/94/53/86/1075945386.db2.gz VLCCRKAQYJYJDI-MRVPVSSYSA-N 0 1 376.402 -1.108 20 0 GAADMN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]c(=O)cn1 ZINC001582373793 1075945347 /nfs/dbraw/zinc/94/53/47/1075945347.db2.gz VLCCRKAQYJYJDI-QMMMGPOBSA-N 0 1 376.402 -1.108 20 0 GAADMN O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c(=O)cn1 ZINC001582373793 1075945344 /nfs/dbraw/zinc/94/53/44/1075945344.db2.gz VLCCRKAQYJYJDI-QMMMGPOBSA-N 0 1 376.402 -1.108 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C(F)F)c1 ZINC001582376200 1075945693 /nfs/dbraw/zinc/94/56/93/1075945693.db2.gz BOWLNROCJGZSAT-MRVPVSSYSA-N 0 1 380.319 -1.127 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C(F)F)c1 ZINC001582376201 1075945772 /nfs/dbraw/zinc/94/57/72/1075945772.db2.gz BOWLNROCJGZSAT-QMMMGPOBSA-N 0 1 380.319 -1.127 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn2cccnc12 ZINC001582376210 1075945825 /nfs/dbraw/zinc/94/58/25/1075945825.db2.gz BRTXTSIKMHOWTM-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn2cccnc12 ZINC001582376211 1075945584 /nfs/dbraw/zinc/94/55/84/1075945584.db2.gz BRTXTSIKMHOWTM-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cncnc1C1CC1 ZINC001582376368 1075945626 /nfs/dbraw/zinc/94/56/26/1075945626.db2.gz CYUGKCRPZIWNTG-JTQLQIEISA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cncnc1C1CC1 ZINC001582376369 1075945783 /nfs/dbraw/zinc/94/57/83/1075945783.db2.gz CYUGKCRPZIWNTG-SNVBAGLBSA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnc2n1CCOC2 ZINC001582376402 1075945640 /nfs/dbraw/zinc/94/56/40/1075945640.db2.gz DWCJBXMUOHXCJR-SECBINFHSA-N 0 1 386.376 -1.992 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnc2n1CCOC2 ZINC001582376403 1075945799 /nfs/dbraw/zinc/94/57/99/1075945799.db2.gz DWCJBXMUOHXCJR-VIFPVBQESA-N 0 1 386.376 -1.992 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cc2n(n1)CCCO2 ZINC001582376572 1075945706 /nfs/dbraw/zinc/94/57/06/1075945706.db2.gz GCSSGGBELDIBCM-JTQLQIEISA-N 0 1 385.388 -1.135 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cc2n(n1)CCCO2 ZINC001582376573 1075945679 /nfs/dbraw/zinc/94/56/79/1075945679.db2.gz GCSSGGBELDIBCM-SNVBAGLBSA-N 0 1 385.388 -1.135 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[C@H]1CCCS1(=O)=O ZINC001582376602 1075945601 /nfs/dbraw/zinc/94/56/01/1075945601.db2.gz GPTTWMZTNWMFMZ-BXKDBHETSA-N 0 1 381.418 -1.850 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[C@@H]1CCCS1(=O)=O ZINC001582376603 1075945815 /nfs/dbraw/zinc/94/58/15/1075945815.db2.gz GPTTWMZTNWMFMZ-CABZTGNLSA-N 0 1 381.418 -1.850 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[C@H]1CCCS1(=O)=O ZINC001582376604 1075945746 /nfs/dbraw/zinc/94/57/46/1075945746.db2.gz GPTTWMZTNWMFMZ-JOYOIKCWSA-N 0 1 381.418 -1.850 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[C@@H]1CCCS1(=O)=O ZINC001582376605 1075945668 /nfs/dbraw/zinc/94/56/68/1075945668.db2.gz GPTTWMZTNWMFMZ-SKDRFNHKSA-N 0 1 381.418 -1.850 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccn(C(F)F)n1 ZINC001582376606 1075945754 /nfs/dbraw/zinc/94/57/54/1075945754.db2.gz GRUADGDUDGERTN-SSDOTTSWSA-N 0 1 380.319 -1.127 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccn(C(F)F)n1 ZINC001582376607 1075946152 /nfs/dbraw/zinc/94/61/52/1075946152.db2.gz GRUADGDUDGERTN-ZETCQYMHSA-N 0 1 380.319 -1.127 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(CC2CC2)c1 ZINC001582376616 1075946339 /nfs/dbraw/zinc/94/63/39/1075946339.db2.gz GWHKZGPOVSVASJ-GFCCVEGCSA-N 0 1 384.404 -1.112 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(CC2CC2)c1 ZINC001582376617 1075946227 /nfs/dbraw/zinc/94/62/27/1075946227.db2.gz GWHKZGPOVSVASJ-LBPRGKRZSA-N 0 1 384.404 -1.112 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccc2nccn2c1 ZINC001582376634 1075946245 /nfs/dbraw/zinc/94/62/45/1075946245.db2.gz HAFMKMWNMWUVTK-LLVKDONJSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccc2nccn2c1 ZINC001582376635 1075946165 /nfs/dbraw/zinc/94/61/65/1075946165.db2.gz HAFMKMWNMWUVTK-NSHDSACASA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cn2c(n1)COCC2 ZINC001582376638 1075946284 /nfs/dbraw/zinc/94/62/84/1075946284.db2.gz HFIMIBFWJVVPPP-SECBINFHSA-N 0 1 386.376 -1.992 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cn2c(n1)COCC2 ZINC001582376639 1075946138 /nfs/dbraw/zinc/94/61/38/1075946138.db2.gz HFIMIBFWJVVPPP-VIFPVBQESA-N 0 1 386.376 -1.992 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1c(F)cncc1F ZINC001582376790 1075946212 /nfs/dbraw/zinc/94/62/12/1075946212.db2.gz IPZRGNYQJOBNJI-SSDOTTSWSA-N 0 1 377.315 -1.045 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1c(F)cncc1F ZINC001582376791 1075946106 /nfs/dbraw/zinc/94/61/06/1075946106.db2.gz IPZRGNYQJOBNJI-ZETCQYMHSA-N 0 1 377.315 -1.045 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnc2n1CCOC2 ZINC001582376841 1075946355 /nfs/dbraw/zinc/94/63/55/1075946355.db2.gz JOTMXSPMSCEQLL-JTQLQIEISA-N 0 1 385.388 -1.387 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnc2n1CCOC2 ZINC001582376844 1075946378 /nfs/dbraw/zinc/94/63/78/1075946378.db2.gz JOTMXSPMSCEQLL-SNVBAGLBSA-N 0 1 385.388 -1.387 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582376988 1075946126 /nfs/dbraw/zinc/94/61/26/1075946126.db2.gz JVMMQPOHIJSSTM-MRBYEJRBSA-N 0 1 390.404 -1.981 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582376992 1075946077 /nfs/dbraw/zinc/94/60/77/1075946077.db2.gz JVMMQPOHIJSSTM-SRRSOLGSSA-N 0 1 390.404 -1.981 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582376995 1075946114 /nfs/dbraw/zinc/94/61/14/1075946114.db2.gz JVPZGYXBJUAQPI-JUFZMCDQSA-N 0 1 389.416 -1.376 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582376997 1075946088 /nfs/dbraw/zinc/94/60/88/1075946088.db2.gz JVPZGYXBJUAQPI-OZTPJHRESA-N 0 1 389.416 -1.376 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2n[nH]cc2C1 ZINC001582377062 1075946309 /nfs/dbraw/zinc/94/63/09/1075946309.db2.gz KKRAFDSNFULWMI-GXSJLCMTSA-N 0 1 384.404 -1.504 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2n[nH]cc2C1 ZINC001582377065 1075946195 /nfs/dbraw/zinc/94/61/95/1075946195.db2.gz KKRAFDSNFULWMI-KOLCDFICSA-N 0 1 384.404 -1.504 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2n[nH]cc2C1 ZINC001582377068 1075946265 /nfs/dbraw/zinc/94/62/65/1075946265.db2.gz KKRAFDSNFULWMI-MWLCHTKSSA-N 0 1 384.404 -1.504 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2n[nH]cc2C1 ZINC001582377070 1075946181 /nfs/dbraw/zinc/94/61/81/1075946181.db2.gz KKRAFDSNFULWMI-ONGXEEELSA-N 0 1 384.404 -1.504 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn2c1OCCC2 ZINC001582377149 1075946202 /nfs/dbraw/zinc/94/62/02/1075946202.db2.gz KYSAFVOFDQOKLV-JTQLQIEISA-N 0 1 385.388 -1.135 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn2c1OCCC2 ZINC001582377151 1075946780 /nfs/dbraw/zinc/94/67/80/1075946780.db2.gz KYSAFVOFDQOKLV-SNVBAGLBSA-N 0 1 385.388 -1.135 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cc2n(n1)CCCC2 ZINC001582377238 1075946774 /nfs/dbraw/zinc/94/67/74/1075946774.db2.gz MEYDEPYFHJIUKN-LLVKDONJSA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cc2n(n1)CCCC2 ZINC001582377239 1075946804 /nfs/dbraw/zinc/94/68/04/1075946804.db2.gz MEYDEPYFHJIUKN-NSHDSACASA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2c[nH]nc2C1 ZINC001582377242 1075946602 /nfs/dbraw/zinc/94/66/02/1075946602.db2.gz MFRKOZIXIWPWMK-GXSJLCMTSA-N 0 1 384.404 -1.504 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2c[nH]nc2C1 ZINC001582377243 1075946765 /nfs/dbraw/zinc/94/67/65/1075946765.db2.gz MFRKOZIXIWPWMK-KOLCDFICSA-N 0 1 384.404 -1.504 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2c[nH]nc2C1 ZINC001582377244 1075946756 /nfs/dbraw/zinc/94/67/56/1075946756.db2.gz MFRKOZIXIWPWMK-MWLCHTKSSA-N 0 1 384.404 -1.504 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2c[nH]nc2C1 ZINC001582377245 1075946677 /nfs/dbraw/zinc/94/66/77/1075946677.db2.gz MFRKOZIXIWPWMK-ONGXEEELSA-N 0 1 384.404 -1.504 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC001582377252 1075946838 /nfs/dbraw/zinc/94/68/38/1075946838.db2.gz MMMNFVAMAPMFDS-NXEZZACHSA-N 0 1 381.418 -1.993 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC001582377253 1075946548 /nfs/dbraw/zinc/94/65/48/1075946548.db2.gz MMMNFVAMAPMFDS-UWVGGRQHSA-N 0 1 381.418 -1.993 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC001582377254 1075946846 /nfs/dbraw/zinc/94/68/46/1075946846.db2.gz MMMNFVAMAPMFDS-VHSXEESVSA-N 0 1 381.418 -1.993 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC001582377256 1075946786 /nfs/dbraw/zinc/94/67/86/1075946786.db2.gz MMMNFVAMAPMFDS-ZJUUUORDSA-N 0 1 381.418 -1.993 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(CCF)c1 ZINC001582377363 1075946796 /nfs/dbraw/zinc/94/67/96/1075946796.db2.gz NKGNDQZSXQQLMZ-JTQLQIEISA-N 0 1 376.356 -1.553 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(CCF)c1 ZINC001582377365 1075946578 /nfs/dbraw/zinc/94/65/78/1075946578.db2.gz NKGNDQZSXQQLMZ-SNVBAGLBSA-N 0 1 376.356 -1.553 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2cncn2C1 ZINC001582377488 1075946812 /nfs/dbraw/zinc/94/68/12/1075946812.db2.gz ONKXFMHQCBWYCP-CMPLNLGQSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2cncn2C1 ZINC001582377490 1075946831 /nfs/dbraw/zinc/94/68/31/1075946831.db2.gz ONKXFMHQCBWYCP-JQWIXIFHSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2cncn2C1 ZINC001582377492 1075946707 /nfs/dbraw/zinc/94/67/07/1075946707.db2.gz ONKXFMHQCBWYCP-PWSUYJOCSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2cncn2C1 ZINC001582377494 1075947250 /nfs/dbraw/zinc/94/72/50/1075947250.db2.gz ONKXFMHQCBWYCP-ZYHUDNBSSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cc2n(n1)CCCO2 ZINC001582377545 1075947309 /nfs/dbraw/zinc/94/73/09/1075947309.db2.gz PEMDOMBFUXGNEZ-SECBINFHSA-N 0 1 386.376 -1.740 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cc2n(n1)CCCO2 ZINC001582377547 1075947120 /nfs/dbraw/zinc/94/71/20/1075947120.db2.gz PEMDOMBFUXGNEZ-VIFPVBQESA-N 0 1 386.376 -1.740 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cc(C(F)F)n[nH]1 ZINC001582377554 1075947085 /nfs/dbraw/zinc/94/70/85/1075947085.db2.gz PGDOKHIVNFEHSU-LURJTMIESA-N 0 1 380.319 -1.058 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cc(C(F)F)n[nH]1 ZINC001582377556 1075947285 /nfs/dbraw/zinc/94/72/85/1075947285.db2.gz PGDOKHIVNFEHSU-ZCFIWIBFSA-N 0 1 380.319 -1.058 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnc2n1CCCC2 ZINC001582377566 1075947208 /nfs/dbraw/zinc/94/72/08/1075947208.db2.gz PKGDKAYMPFKDQF-JTQLQIEISA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnc2n1CCCC2 ZINC001582377568 1075947158 /nfs/dbraw/zinc/94/71/58/1075947158.db2.gz PKGDKAYMPFKDQF-SNVBAGLBSA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ncc(F)cc1F ZINC001582377704 1075947144 /nfs/dbraw/zinc/94/71/44/1075947144.db2.gz QOBZGZCJAVQKDH-MRVPVSSYSA-N 0 1 377.315 -1.045 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ncc(F)cc1F ZINC001582377706 1075947236 /nfs/dbraw/zinc/94/72/36/1075947236.db2.gz QOBZGZCJAVQKDH-QMMMGPOBSA-N 0 1 377.315 -1.045 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1noc2c1COCC2 ZINC001582377751 1075947171 /nfs/dbraw/zinc/94/71/71/1075947171.db2.gz IFPITIBKQUZHSH-SECBINFHSA-N 0 1 386.372 -1.053 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1noc2c1COCC2 ZINC001582377753 1075947221 /nfs/dbraw/zinc/94/72/21/1075947221.db2.gz IFPITIBKQUZHSH-VIFPVBQESA-N 0 1 386.372 -1.053 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccnc(C2CC2)n1 ZINC001582377925 1075947269 /nfs/dbraw/zinc/94/72/69/1075947269.db2.gz SYZJJLWPIWMQRY-JTQLQIEISA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccnc(C2CC2)n1 ZINC001582377927 1075947045 /nfs/dbraw/zinc/94/70/45/1075947045.db2.gz SYZJJLWPIWMQRY-SNVBAGLBSA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cn2c(n1)COCC2 ZINC001582377966 1075947128 /nfs/dbraw/zinc/94/71/28/1075947128.db2.gz UEODSADSJMZXAJ-JTQLQIEISA-N 0 1 385.388 -1.387 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cn2c(n1)COCC2 ZINC001582377968 1075947192 /nfs/dbraw/zinc/94/71/92/1075947192.db2.gz UEODSADSJMZXAJ-SNVBAGLBSA-N 0 1 385.388 -1.387 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cn2c(n1)CCCC2 ZINC001582377974 1075947102 /nfs/dbraw/zinc/94/71/02/1075947102.db2.gz UGLTYDFGUHPXQV-JTQLQIEISA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cn2c(n1)CCCC2 ZINC001582377976 1075947546 /nfs/dbraw/zinc/94/75/46/1075947546.db2.gz UGLTYDFGUHPXQV-SNVBAGLBSA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2nccn2C1 ZINC001582377999 1075947745 /nfs/dbraw/zinc/94/77/45/1075947745.db2.gz UNCSHGVCMWEBEE-GHMZBOCLSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2nccn2C1 ZINC001582378001 1075947727 /nfs/dbraw/zinc/94/77/27/1075947727.db2.gz UNCSHGVCMWEBEE-MNOVXSKESA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2nccn2C1 ZINC001582378003 1075947794 /nfs/dbraw/zinc/94/77/94/1075947794.db2.gz UNCSHGVCMWEBEE-QWRGUYRKSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2nccn2C1 ZINC001582378005 1075947704 /nfs/dbraw/zinc/94/77/04/1075947704.db2.gz UNCSHGVCMWEBEE-WDEREUQCSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1Cc2ccccc2O1 ZINC001582378016 1075947501 /nfs/dbraw/zinc/94/75/01/1075947501.db2.gz UXVRNLPRQDXYSP-AAEUAGOBSA-N 0 1 382.384 -1.029 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1Cc2ccccc2O1 ZINC001582378017 1075947658 /nfs/dbraw/zinc/94/76/58/1075947658.db2.gz UXVRNLPRQDXYSP-DGCLKSJQSA-N 0 1 382.384 -1.029 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1Cc2ccccc2O1 ZINC001582378018 1075947598 /nfs/dbraw/zinc/94/75/98/1075947598.db2.gz UXVRNLPRQDXYSP-WCQYABFASA-N 0 1 382.384 -1.029 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1Cc2ccccc2O1 ZINC001582378019 1075947625 /nfs/dbraw/zinc/94/76/25/1075947625.db2.gz UXVRNLPRQDXYSP-YPMHNXCESA-N 0 1 382.384 -1.029 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn2c1CCCC2 ZINC001582378117 1075947770 /nfs/dbraw/zinc/94/77/70/1075947770.db2.gz VJWROQIHJHIJBY-JTQLQIEISA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn2c1CCCC2 ZINC001582378118 1075947579 /nfs/dbraw/zinc/94/75/79/1075947579.db2.gz VJWROQIHJHIJBY-SNVBAGLBSA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1occ2c1CCOC2 ZINC001582378194 1075947695 /nfs/dbraw/zinc/94/76/95/1075947695.db2.gz WFGLGDHJOOXURJ-JTQLQIEISA-N 0 1 386.372 -1.053 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1occ2c1CCOC2 ZINC001582378195 1075948032 /nfs/dbraw/zinc/94/80/32/1075948032.db2.gz WFGLGDHJOOXURJ-SNVBAGLBSA-N 0 1 386.372 -1.053 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCn2ccnc2C1 ZINC001582378372 1075948246 /nfs/dbraw/zinc/94/82/46/1075948246.db2.gz XSYCKEROKSBBOD-GHMZBOCLSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCn2ccnc2C1 ZINC001582378373 1075948285 /nfs/dbraw/zinc/94/82/85/1075948285.db2.gz XSYCKEROKSBBOD-MNOVXSKESA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCn2ccnc2C1 ZINC001582378374 1075948266 /nfs/dbraw/zinc/94/82/66/1075948266.db2.gz XSYCKEROKSBBOD-QWRGUYRKSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCn2ccnc2C1 ZINC001582378375 1075948015 /nfs/dbraw/zinc/94/80/15/1075948015.db2.gz XSYCKEROKSBBOD-WDEREUQCSA-N 0 1 384.404 -1.573 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCc2n[nH]cc21 ZINC001582378384 1075948227 /nfs/dbraw/zinc/94/82/27/1075948227.db2.gz XZLBTQKBKSOJJD-NXEZZACHSA-N 0 1 384.404 -1.189 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCc2n[nH]cc21 ZINC001582378385 1075948190 /nfs/dbraw/zinc/94/81/90/1075948190.db2.gz XZLBTQKBKSOJJD-UWVGGRQHSA-N 0 1 384.404 -1.189 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCc2n[nH]cc21 ZINC001582378386 1075948115 /nfs/dbraw/zinc/94/81/15/1075948115.db2.gz XZLBTQKBKSOJJD-VHSXEESVSA-N 0 1 384.404 -1.189 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCc2n[nH]cc21 ZINC001582378387 1075948301 /nfs/dbraw/zinc/94/83/01/1075948301.db2.gz XZLBTQKBKSOJJD-ZJUUUORDSA-N 0 1 384.404 -1.189 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnc(C2CC2)nc1 ZINC001582378392 1075948170 /nfs/dbraw/zinc/94/81/70/1075948170.db2.gz YDOMNIIDLMXBGL-LLVKDONJSA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnc(C2CC2)nc1 ZINC001582378393 1075948134 /nfs/dbraw/zinc/94/81/34/1075948134.db2.gz YDOMNIIDLMXBGL-NSHDSACASA-N 0 1 382.388 -1.051 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1Cc2cccnc2C1 ZINC001582378448 1075948059 /nfs/dbraw/zinc/94/80/59/1075948059.db2.gz ZFRNHMQHMFMXJO-NEPJUHHUSA-N 0 1 381.400 -1.222 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1Cc2cccnc2C1 ZINC001582378449 1075948124 /nfs/dbraw/zinc/94/81/24/1075948124.db2.gz ZFRNHMQHMFMXJO-NWDGAFQWSA-N 0 1 381.400 -1.222 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1Cc2cccnc2C1 ZINC001582378450 1075948089 /nfs/dbraw/zinc/94/80/89/1075948089.db2.gz ZFRNHMQHMFMXJO-RYUDHWBXSA-N 0 1 381.400 -1.222 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1Cc2cccnc2C1 ZINC001582378451 1075948144 /nfs/dbraw/zinc/94/81/44/1075948144.db2.gz ZFRNHMQHMFMXJO-VXGBXAGGSA-N 0 1 381.400 -1.222 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn2c1OCCC2 ZINC001582378474 1075948075 /nfs/dbraw/zinc/94/80/75/1075948075.db2.gz ZVKLPSXJLWWRCQ-SECBINFHSA-N 0 1 386.376 -1.740 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn2c1OCCC2 ZINC001582378475 1075948102 /nfs/dbraw/zinc/94/81/02/1075948102.db2.gz ZVKLPSXJLWWRCQ-VIFPVBQESA-N 0 1 386.376 -1.740 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ncc2n1CCCC2 ZINC001582378478 1075948047 /nfs/dbraw/zinc/94/80/47/1075948047.db2.gz ZYCOPDAMTWAABH-LLVKDONJSA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ncc2n1CCCC2 ZINC001582378479 1075948155 /nfs/dbraw/zinc/94/81/55/1075948155.db2.gz ZYCOPDAMTWAABH-NSHDSACASA-N 0 1 384.404 -1.186 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582394910 1075948629 /nfs/dbraw/zinc/94/86/29/1075948629.db2.gz FJFOTAWGRPYKNY-MRVPVSSYSA-N 0 1 379.406 -2.169 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582394911 1075948700 /nfs/dbraw/zinc/94/87/00/1075948700.db2.gz FJFOTAWGRPYKNY-QMMMGPOBSA-N 0 1 379.406 -2.169 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCS1(=O)=O ZINC001582395221 1075948749 /nfs/dbraw/zinc/94/87/49/1075948749.db2.gz RTZFGSUDHIQRSK-SECBINFHSA-N 0 1 378.418 -1.284 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCS1(=O)=O ZINC001582395222 1075949173 /nfs/dbraw/zinc/94/91/73/1075949173.db2.gz RTZFGSUDHIQRSK-VIFPVBQESA-N 0 1 378.418 -1.284 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCc2nncn2C1 ZINC001582395287 1075948984 /nfs/dbraw/zinc/94/89/84/1075948984.db2.gz UNTYGUDIXJNGAU-JTQLQIEISA-N 0 1 381.404 -1.007 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCc2nncn2C1 ZINC001582395288 1075949088 /nfs/dbraw/zinc/94/90/88/1075949088.db2.gz UNTYGUDIXJNGAU-SNVBAGLBSA-N 0 1 381.404 -1.007 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCS(=O)(=O)CC1 ZINC001582395291 1075949159 /nfs/dbraw/zinc/94/91/59/1075949159.db2.gz UQQGIGNLOOSFFC-UHFFFAOYSA-N 0 1 392.445 -1.036 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001582395296 1075949007 /nfs/dbraw/zinc/94/90/07/1075949007.db2.gz UUWBPVSQIXQWPE-SECBINFHSA-N 0 1 378.418 -1.426 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001582395297 1075949040 /nfs/dbraw/zinc/94/90/40/1075949040.db2.gz UUWBPVSQIXQWPE-VIFPVBQESA-N 0 1 378.418 -1.426 20 0 GAADMN O=C(NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@H]1CCS(=O)(=O)N1 ZINC001582396018 1075949068 /nfs/dbraw/zinc/94/90/68/1075949068.db2.gz KHAXJNCFISDUCG-GFCCVEGCSA-N 0 1 392.445 -1.174 20 0 GAADMN O=C(NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582396019 1075949185 /nfs/dbraw/zinc/94/91/85/1075949185.db2.gz KHAXJNCFISDUCG-LBPRGKRZSA-N 0 1 392.445 -1.174 20 0 GAADMN O=C(NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582396940 1075948994 /nfs/dbraw/zinc/94/89/94/1075948994.db2.gz XXKVVNPVBAQPTC-LLVKDONJSA-N 0 1 378.418 -1.564 20 0 GAADMN O=C(NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582396941 1075948960 /nfs/dbraw/zinc/94/89/60/1075948960.db2.gz XXKVVNPVBAQPTC-NSHDSACASA-N 0 1 378.418 -1.564 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1)[C@H]1COCCO1 ZINC001582397035 1075949144 /nfs/dbraw/zinc/94/91/44/1075949144.db2.gz ZDIJTQORTJUCEC-LLVKDONJSA-N 0 1 390.404 -1.429 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1)[C@@H]1COCCO1 ZINC001582397036 1075949058 /nfs/dbraw/zinc/94/90/58/1075949058.db2.gz ZDIJTQORTJUCEC-NSHDSACASA-N 0 1 390.404 -1.429 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)C1CS(=O)(=O)C1 ZINC001582397199 1075949024 /nfs/dbraw/zinc/94/90/24/1075949024.db2.gz ODZVMXYDFXRYIC-UHFFFAOYSA-N 0 1 378.418 -1.426 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001582397561 1075949219 /nfs/dbraw/zinc/94/92/19/1075949219.db2.gz VAXGJURSKMHXSI-JTQLQIEISA-N 0 1 392.445 -1.036 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001582397562 1075949124 /nfs/dbraw/zinc/94/91/24/1075949124.db2.gz VAXGJURSKMHXSI-SNVBAGLBSA-N 0 1 392.445 -1.036 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405045 1075949935 /nfs/dbraw/zinc/94/99/35/1075949935.db2.gz DTBHKKPZCOYPMI-INIZCTEOSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405046 1075950125 /nfs/dbraw/zinc/95/01/25/1075950125.db2.gz DTBHKKPZCOYPMI-MRXNPFEDSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405218 1075949963 /nfs/dbraw/zinc/94/99/63/1075949963.db2.gz GKITXDUDFDEJNU-INIZCTEOSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405219 1075950114 /nfs/dbraw/zinc/95/01/14/1075950114.db2.gz GKITXDUDFDEJNU-MRXNPFEDSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405245 1075950100 /nfs/dbraw/zinc/95/01/00/1075950100.db2.gz GYXVEDJQJAZQQJ-KRWDZBQOSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405246 1075949956 /nfs/dbraw/zinc/94/99/56/1075949956.db2.gz GYXVEDJQJAZQQJ-QGZVFWFLSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405769 1075950904 /nfs/dbraw/zinc/95/09/04/1075950904.db2.gz PVEZEAKCVBLNOR-KRWDZBQOSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405770 1075950937 /nfs/dbraw/zinc/95/09/37/1075950937.db2.gz PVEZEAKCVBLNOR-QGZVFWFLSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582405806 1075951338 /nfs/dbraw/zinc/95/13/38/1075951338.db2.gz RABDMJHIYTWUAV-INIZCTEOSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(Cc1ccn[nH]1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582405807 1075951387 /nfs/dbraw/zinc/95/13/87/1075951387.db2.gz RABDMJHIYTWUAV-MRXNPFEDSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582406106 1075952392 /nfs/dbraw/zinc/95/23/92/1075952392.db2.gz ZPUOQCVTNUCJGI-KRWDZBQOSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(CN1CCCC1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582406107 1075952299 /nfs/dbraw/zinc/95/22/99/1075952299.db2.gz ZPUOQCVTNUCJGI-QGZVFWFLSA-N 0 1 388.432 -1.016 20 0 GAADMN O=C(NC[C@@]1(O)CCN(CCNC(=O)C2CC2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582406532 1075952625 /nfs/dbraw/zinc/95/26/25/1075952625.db2.gz JFFDTZOGPNVKCC-KRWDZBQOSA-N 0 1 388.432 -1.112 20 0 GAADMN O=C(NC[C@]1(O)CCN(CCNC(=O)C2CC2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582406533 1075952649 /nfs/dbraw/zinc/95/26/49/1075952649.db2.gz JFFDTZOGPNVKCC-QGZVFWFLSA-N 0 1 388.432 -1.112 20 0 GAADMN O=C(NC[C@@]1(O)CCN(CCNC(=O)C2CC2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582406665 1075953136 /nfs/dbraw/zinc/95/31/36/1075953136.db2.gz MDNNCEZNBLMWDF-KRWDZBQOSA-N 0 1 388.432 -1.112 20 0 GAADMN O=C(NC[C@]1(O)CCN(CCNC(=O)C2CC2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582406666 1075953197 /nfs/dbraw/zinc/95/31/97/1075953197.db2.gz MDNNCEZNBLMWDF-QGZVFWFLSA-N 0 1 388.432 -1.112 20 0 GAADMN O=C(NC[C@@]1(O)CCN(CCNC(=O)C2CC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582406969 1075953262 /nfs/dbraw/zinc/95/32/62/1075953262.db2.gz SPCAEWWXMGLKIS-KRWDZBQOSA-N 0 1 388.432 -1.112 20 0 GAADMN O=C(NC[C@]1(O)CCN(CCNC(=O)C2CC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582406970 1075953360 /nfs/dbraw/zinc/95/33/60/1075953360.db2.gz SPCAEWWXMGLKIS-QGZVFWFLSA-N 0 1 388.432 -1.112 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C12CC[NH+](CC1)C2 ZINC001582407863 1075954187 /nfs/dbraw/zinc/95/41/87/1075954187.db2.gz BFSBZDZVPOZELL-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001582407863 1075954180 /nfs/dbraw/zinc/95/41/80/1075954180.db2.gz BFSBZDZVPOZELL-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C12CC[NH+](CC1)C2 ZINC001582407866 1075954308 /nfs/dbraw/zinc/95/43/08/1075954308.db2.gz BFSBZDZVPOZELL-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001582407866 1075954305 /nfs/dbraw/zinc/95/43/05/1075954305.db2.gz BFSBZDZVPOZELL-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C12CC[NH+](CC1)C2 ZINC001582408254 1075954352 /nfs/dbraw/zinc/95/43/52/1075954352.db2.gz MRFGNWNJZVNKMG-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C12CC[NH+](CC1)C2 ZINC001582408254 1075954349 /nfs/dbraw/zinc/95/43/49/1075954349.db2.gz MRFGNWNJZVNKMG-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C12CC[NH+](CC1)C2 ZINC001582408255 1075954343 /nfs/dbraw/zinc/95/43/43/1075954343.db2.gz MRFGNWNJZVNKMG-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C12CC[NH+](CC1)C2 ZINC001582408255 1075954339 /nfs/dbraw/zinc/95/43/39/1075954339.db2.gz MRFGNWNJZVNKMG-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1COCCO1 ZINC001582408262 1075954319 /nfs/dbraw/zinc/95/43/19/1075954319.db2.gz MSPHMEXKOOCJGI-BMIGLBTASA-N 0 1 376.377 -1.871 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1COCCO1 ZINC001582408263 1075954362 /nfs/dbraw/zinc/95/43/62/1075954362.db2.gz MSPHMEXKOOCJGI-BONVTDFDSA-N 0 1 376.377 -1.871 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1COCCO1 ZINC001582408264 1075954291 /nfs/dbraw/zinc/95/42/91/1075954291.db2.gz MSPHMEXKOOCJGI-MEBBXXQBSA-N 0 1 376.377 -1.871 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1COCCO1 ZINC001582408265 1075954792 /nfs/dbraw/zinc/95/47/92/1075954792.db2.gz MSPHMEXKOOCJGI-ZUZCIYMTSA-N 0 1 376.377 -1.871 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582408933 1075954759 /nfs/dbraw/zinc/95/47/59/1075954759.db2.gz JRHYTXUSHOSRIJ-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582408933 1075954756 /nfs/dbraw/zinc/95/47/56/1075954756.db2.gz JRHYTXUSHOSRIJ-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582408935 1075954721 /nfs/dbraw/zinc/95/47/21/1075954721.db2.gz JRHYTXUSHOSRIJ-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582408935 1075954715 /nfs/dbraw/zinc/95/47/15/1075954715.db2.gz JRHYTXUSHOSRIJ-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582409262 1075955032 /nfs/dbraw/zinc/95/50/32/1075955032.db2.gz UEFUXTHLUYLNFP-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001582409263 1075955208 /nfs/dbraw/zinc/95/52/08/1075955208.db2.gz UEFUXTHLUYLNFP-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@]1(F)CCOC1 ZINC001582409717 1075955286 /nfs/dbraw/zinc/95/52/86/1075955286.db2.gz XPXJHTWXPOFRDJ-CABCVRRESA-N 0 1 378.368 -1.157 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@]1(F)CCOC1 ZINC001582409718 1075955366 /nfs/dbraw/zinc/95/53/66/1075955366.db2.gz XPXJHTWXPOFRDJ-GJZGRUSLSA-N 0 1 378.368 -1.157 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001582409719 1075955297 /nfs/dbraw/zinc/95/52/97/1075955297.db2.gz XPXJHTWXPOFRDJ-HUUCEWRRSA-N 0 1 378.368 -1.157 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001582409721 1075955058 /nfs/dbraw/zinc/95/50/58/1075955058.db2.gz XPXJHTWXPOFRDJ-LSDHHAIUSA-N 0 1 378.368 -1.157 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C12CC[NH+](CC1)C2 ZINC001582409746 1075955271 /nfs/dbraw/zinc/95/52/71/1075955271.db2.gz PNDSUVRNVCMQBG-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C12CC[NH+](CC1)C2 ZINC001582409746 1075955264 /nfs/dbraw/zinc/95/52/64/1075955264.db2.gz PNDSUVRNVCMQBG-KRWDZBQOSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C12CC[NH+](CC1)C2 ZINC001582409747 1075955082 /nfs/dbraw/zinc/95/50/82/1075955082.db2.gz PNDSUVRNVCMQBG-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C12CC[NH+](CC1)C2 ZINC001582409747 1075955073 /nfs/dbraw/zinc/95/50/73/1075955073.db2.gz PNDSUVRNVCMQBG-QGZVFWFLSA-N 0 1 385.432 -1.190 20 0 GAADMN O=C(CCc1cnc[nH]1)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582411003 1075956142 /nfs/dbraw/zinc/95/61/42/1075956142.db2.gz JCFKBJQWQJZYQF-UHFFFAOYSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(CCc1cnc[nH]1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582411006 1075956558 /nfs/dbraw/zinc/95/65/58/1075956558.db2.gz JKUUKQOZCBPIPK-UHFFFAOYSA-N 0 1 385.388 -1.146 20 0 GAADMN O=C(Cc1ncn[nH]1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001582415769 1075959962 /nfs/dbraw/zinc/95/99/62/1075959962.db2.gz QWZYIMVTFZYUJF-RTCCRHLQSA-N 0 1 382.388 -1.010 20 0 GAADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582423413 1075961034 /nfs/dbraw/zinc/96/10/34/1075961034.db2.gz FIGYFOJREKTQKT-SRHKJQAYSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582423414 1075960968 /nfs/dbraw/zinc/96/09/68/1075960968.db2.gz FIGYFOJREKTQKT-ZPPKWKGLSA-N 0 1 392.445 -1.318 20 0 GAADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582423518 1075960991 /nfs/dbraw/zinc/96/09/91/1075960991.db2.gz KJHGRRINDLIPRV-UHFFFAOYSA-N 0 1 378.418 -1.570 20 0 GAADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001582423570 1075961012 /nfs/dbraw/zinc/96/10/12/1075961012.db2.gz NCRHHJJWRZMVBZ-ILDUYXDCSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCS1(=O)=O ZINC001582423571 1075961019 /nfs/dbraw/zinc/96/10/19/1075961019.db2.gz NCRHHJJWRZMVBZ-VQXHTEKXSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(NCC1CC1)C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582426281 1075961626 /nfs/dbraw/zinc/96/16/26/1075961626.db2.gz ZSFDRMYZSGTQPX-UHFFFAOYSA-N 0 1 375.393 -2.162 20 0 GAADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C1CS(=O)(=O)C1 ZINC001582446962 1075962089 /nfs/dbraw/zinc/96/20/89/1075962089.db2.gz GDFYFVIUNXVWGI-JTQLQIEISA-N 0 1 378.418 -1.214 20 0 GAADMN O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C1CS(=O)(=O)C1 ZINC001582446964 1075961984 /nfs/dbraw/zinc/96/19/84/1075961984.db2.gz GDFYFVIUNXVWGI-SNVBAGLBSA-N 0 1 378.418 -1.214 20 0 GAADMN O=C(NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582458578 1075962541 /nfs/dbraw/zinc/96/25/41/1075962541.db2.gz GSZCRZUXNREVBG-SECBINFHSA-N 0 1 378.418 -1.356 20 0 GAADMN O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001582458579 1075962558 /nfs/dbraw/zinc/96/25/58/1075962558.db2.gz GSZCRZUXNREVBG-VIFPVBQESA-N 0 1 378.418 -1.356 20 0 GAADMN O=C(NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582460321 1075963146 /nfs/dbraw/zinc/96/31/46/1075963146.db2.gz GPVLJNMEQFPONA-CMPLNLGQSA-N 0 1 392.445 -1.104 20 0 GAADMN O=C(NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582460322 1075963156 /nfs/dbraw/zinc/96/31/56/1075963156.db2.gz GPVLJNMEQFPONA-JQWIXIFHSA-N 0 1 392.445 -1.104 20 0 GAADMN O=C(NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582460323 1075963023 /nfs/dbraw/zinc/96/30/23/1075963023.db2.gz GPVLJNMEQFPONA-PWSUYJOCSA-N 0 1 392.445 -1.104 20 0 GAADMN O=C(NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582460324 1075963115 /nfs/dbraw/zinc/96/31/15/1075963115.db2.gz GPVLJNMEQFPONA-ZYHUDNBSSA-N 0 1 392.445 -1.104 20 0 GAADMN O=C(NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1)c1cnn[nH]1 ZINC001582473683 1075963985 /nfs/dbraw/zinc/96/39/85/1075963985.db2.gz JZDUFTBPTAAZJD-JTQLQIEISA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1)c1cnn[nH]1 ZINC001582473684 1075964209 /nfs/dbraw/zinc/96/42/09/1075964209.db2.gz JZDUFTBPTAAZJD-SNVBAGLBSA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1)c1nc[nH]n1 ZINC001582474116 1075964623 /nfs/dbraw/zinc/96/46/23/1075964623.db2.gz RDRZSQBRMLMGPD-JTQLQIEISA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1)c1ncn[nH]1 ZINC001582474116 1075964621 /nfs/dbraw/zinc/96/46/21/1075964621.db2.gz RDRZSQBRMLMGPD-JTQLQIEISA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1)c1nc[nH]n1 ZINC001582474117 1075964589 /nfs/dbraw/zinc/96/45/89/1075964589.db2.gz RDRZSQBRMLMGPD-SNVBAGLBSA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1)c1ncn[nH]1 ZINC001582474117 1075964583 /nfs/dbraw/zinc/96/45/83/1075964583.db2.gz RDRZSQBRMLMGPD-SNVBAGLBSA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1)c1nc[nH]n1 ZINC001582475623 1075964571 /nfs/dbraw/zinc/96/45/71/1075964571.db2.gz HOCLRZUAEVRCHI-JTQLQIEISA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1)c1ncn[nH]1 ZINC001582475623 1075964566 /nfs/dbraw/zinc/96/45/66/1075964566.db2.gz HOCLRZUAEVRCHI-JTQLQIEISA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1)c1nc[nH]n1 ZINC001582475624 1075964673 /nfs/dbraw/zinc/96/46/73/1075964673.db2.gz HOCLRZUAEVRCHI-SNVBAGLBSA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1)c1ncn[nH]1 ZINC001582475624 1075964671 /nfs/dbraw/zinc/96/46/71/1075964671.db2.gz HOCLRZUAEVRCHI-SNVBAGLBSA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1)c1cnn[nH]1 ZINC001582475792 1075964440 /nfs/dbraw/zinc/96/44/40/1075964440.db2.gz MHTYFRJZXZUEDZ-SECBINFHSA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1)c1cnn[nH]1 ZINC001582475793 1075964491 /nfs/dbraw/zinc/96/44/91/1075964491.db2.gz MHTYFRJZXZUEDZ-VIFPVBQESA-N 0 1 386.376 -1.026 20 0 GAADMN 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O=C(NC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1)c1ncn[nH]1 ZINC001582476164 1075965160 /nfs/dbraw/zinc/96/51/60/1075965160.db2.gz ZHVLVDMEBOFJDN-VIFPVBQESA-N 0 1 386.376 -1.026 20 0 GAADMN O=C(NCC1CN(C[C@H](O)CN2CCCC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582477260 1075964872 /nfs/dbraw/zinc/96/48/72/1075964872.db2.gz CWKGYOMWIKAUAZ-LBPRGKRZSA-N 0 1 388.432 -1.160 20 0 GAADMN O=C(NCC1CN(C[C@H](O)CN2CCCC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582477886 1075965146 /nfs/dbraw/zinc/96/51/46/1075965146.db2.gz POTSIXDJXPXTRX-ZDUSSCGKSA-N 0 1 388.432 -1.160 20 0 GAADMN O=C(NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)[C@H]1COCCO1 ZINC001582484500 1075965967 /nfs/dbraw/zinc/96/59/67/1075965967.db2.gz AWYFPOVJJGCGKT-GHMZBOCLSA-N 0 1 376.377 -1.607 20 0 GAADMN O=C(NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)[C@@H]1COCCO1 ZINC001582484501 1075965896 /nfs/dbraw/zinc/96/58/96/1075965896.db2.gz AWYFPOVJJGCGKT-MNOVXSKESA-N 0 1 376.377 -1.607 20 0 GAADMN O=C(NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)[C@@H]1COCCO1 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O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001582579909 1075982223 /nfs/dbraw/zinc/98/22/23/1075982223.db2.gz KLZPXKLAGSYXEY-XQGIHIMASA-N 0 1 384.400 -1.254 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001582579922 1075982507 /nfs/dbraw/zinc/98/25/07/1075982507.db2.gz LLHVTZSXYAJGJR-HTRCEHHLSA-N 0 1 375.374 -1.202 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001582579923 1075982494 /nfs/dbraw/zinc/98/24/94/1075982494.db2.gz LLHVTZSXYAJGJR-SVRRBLITSA-N 0 1 375.374 -1.202 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1noc2c1COCC2 ZINC001582580128 1075982342 /nfs/dbraw/zinc/98/23/42/1075982342.db2.gz QSMDLHDXPIXHHW-NXEZZACHSA-N 0 1 399.371 -1.303 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1cnn(CCF)c1 ZINC001582580138 1075982554 /nfs/dbraw/zinc/98/25/54/1075982554.db2.gz QXUWSJLVJISBLV-GHMZBOCLSA-N 0 1 388.367 -1.198 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1cnn(CCF)c1 ZINC001582580139 1075982926 /nfs/dbraw/zinc/98/29/26/1075982926.db2.gz QXUWSJLVJISBLV-MNOVXSKESA-N 0 1 388.367 -1.198 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1n[nH]c2c1CCC2 ZINC001582580147 1075982877 /nfs/dbraw/zinc/98/28/77/1075982877.db2.gz RHEHUAQHVAFWAO-MNOVXSKESA-N 0 1 382.388 -1.152 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC001582580167 1075983045 /nfs/dbraw/zinc/98/30/45/1075983045.db2.gz SVTQQYGSAORGBN-KOLCDFICSA-N 0 1 398.387 -1.637 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1cc2ncccn2n1 ZINC001582580173 1075982892 /nfs/dbraw/zinc/98/28/92/1075982892.db2.gz SYVILCPPEYQRQG-MNOVXSKESA-N 0 1 393.371 -1.321 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001582580203 1075982809 /nfs/dbraw/zinc/98/28/09/1075982809.db2.gz GFEVEDXFSMPTLN-BNOWGMLFSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001582580203 1075982802 /nfs/dbraw/zinc/98/28/02/1075982802.db2.gz GFEVEDXFSMPTLN-BNOWGMLFSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001582580204 1075982861 /nfs/dbraw/zinc/98/28/61/1075982861.db2.gz GFEVEDXFSMPTLN-IACUBPJLSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001582580204 1075982858 /nfs/dbraw/zinc/98/28/58/1075982858.db2.gz GFEVEDXFSMPTLN-IACUBPJLSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001582580205 1075982790 /nfs/dbraw/zinc/98/27/90/1075982790.db2.gz GFEVEDXFSMPTLN-MRVWCRGKSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001582580205 1075982785 /nfs/dbraw/zinc/98/27/85/1075982785.db2.gz GFEVEDXFSMPTLN-MRVWCRGKSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001582580206 1075982730 /nfs/dbraw/zinc/98/27/30/1075982730.db2.gz GFEVEDXFSMPTLN-YUTCNCBUSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001582580206 1075982727 /nfs/dbraw/zinc/98/27/27/1075982727.db2.gz GFEVEDXFSMPTLN-YUTCNCBUSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1cc2n(n1)CCO2 ZINC001582580271 1075982715 /nfs/dbraw/zinc/98/27/15/1075982715.db2.gz VUVXBUOJGNJUBC-NXEZZACHSA-N 0 1 384.360 -1.775 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001582580348 1075982995 /nfs/dbraw/zinc/98/29/95/1075982995.db2.gz XJSDINGGHAVOON-VXGBXAGGSA-N 0 1 385.432 -1.049 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001582580658 1075983514 /nfs/dbraw/zinc/98/35/14/1075983514.db2.gz WIYMFCFFMJAMEL-CHWSQXEVSA-N 0 1 385.432 -1.049 20 0 GAADMN 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O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001582580859 1075983536 /nfs/dbraw/zinc/98/35/36/1075983536.db2.gz HFSNYNKAXYWTBQ-CHWSQXEVSA-N 0 1 385.432 -1.049 20 0 GAADMN O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001582580859 1075983528 /nfs/dbraw/zinc/98/35/28/1075983528.db2.gz HFSNYNKAXYWTBQ-CHWSQXEVSA-N 0 1 385.432 -1.049 20 0 GAADMN O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001582581562 1075983876 /nfs/dbraw/zinc/98/38/76/1075983876.db2.gz AQEQXHNMHGESCZ-BNOWGMLFSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001582581562 1075983872 /nfs/dbraw/zinc/98/38/72/1075983872.db2.gz AQEQXHNMHGESCZ-BNOWGMLFSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001582581563 1075983914 /nfs/dbraw/zinc/98/39/14/1075983914.db2.gz AQEQXHNMHGESCZ-YUTCNCBUSA-N 0 1 385.432 -1.336 20 0 GAADMN 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O=C([C@H]1CNC(=O)N1)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001582781125 1076031530 /nfs/dbraw/zinc/03/15/30/1076031530.db2.gz BSZCNBBZKQPPRY-WDEREUQCSA-N 0 1 386.420 -1.057 20 0 GAADMN O=C(NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1COC(=O)N1 ZINC001582781144 1076031650 /nfs/dbraw/zinc/03/16/50/1076031650.db2.gz ZJLVTYJQGZZNHT-CRCLSJGQSA-N 0 1 388.797 -1.026 20 0 GAADMN O=C(NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1COC(=O)N1 ZINC001582781145 1076031593 /nfs/dbraw/zinc/03/15/93/1076031593.db2.gz ZJLVTYJQGZZNHT-RFZPGFLSSA-N 0 1 388.797 -1.026 20 0 GAADMN O=C(NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)[C@@H]1COC(=O)N1 ZINC001582781146 1076031456 /nfs/dbraw/zinc/03/14/56/1076031456.db2.gz ZJLVTYJQGZZNHT-UHNVWZDZSA-N 0 1 388.797 -1.026 20 0 GAADMN O=C(NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)[C@@H]1COC(=O)N1 ZINC001582781147 1076031723 /nfs/dbraw/zinc/03/17/23/1076031723.db2.gz ZJLVTYJQGZZNHT-WHFBIAKZSA-N 0 1 388.797 -1.026 20 0 GAADMN O=C([C@H]1CNC(=O)N1)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 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HNDMGPQPNSACOG-XOULXFPDSA-N 0 1 380.434 -1.156 20 0 GAADMN C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001589905005 1076077843 /nfs/dbraw/zinc/07/78/43/1076077843.db2.gz SFMIQBFWRAPRGM-CYZMBNFOSA-N 0 1 398.431 -1.065 20 0 GAADMN C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001589905006 1076078076 /nfs/dbraw/zinc/07/80/76/1076078076.db2.gz SFMIQBFWRAPRGM-RAIGVLPGSA-N 0 1 398.431 -1.065 20 0 GAADMN C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001589905007 1076077882 /nfs/dbraw/zinc/07/78/82/1076077882.db2.gz SFMIQBFWRAPRGM-RTXFEEFZSA-N 0 1 398.431 -1.065 20 0 GAADMN C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001589905008 1076077823 /nfs/dbraw/zinc/07/78/23/1076077823.db2.gz SFMIQBFWRAPRGM-UHTWSYAYSA-N 0 1 398.431 -1.065 20 0 GAADMN C[C@@H](NC(=O)CCN1C(=O)CCC1=O)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589922255 1076078527 /nfs/dbraw/zinc/07/85/27/1076078527.db2.gz ZRGYELBJPMWGOG-NXEZZACHSA-N 0 1 387.404 -1.077 20 0 GAADMN C[C@H](NC(=O)CCN1C(=O)CCC1=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589922257 1076078503 /nfs/dbraw/zinc/07/85/03/1076078503.db2.gz ZRGYELBJPMWGOG-UWVGGRQHSA-N 0 1 387.404 -1.077 20 0 GAADMN C[C@@H](NC(=O)CCN1C(=O)CCC1=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589922259 1076078429 /nfs/dbraw/zinc/07/84/29/1076078429.db2.gz ZRGYELBJPMWGOG-VHSXEESVSA-N 0 1 387.404 -1.077 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001589922260 1076078415 /nfs/dbraw/zinc/07/84/15/1076078415.db2.gz ZRGYELBJPMWGOG-ZJUUUORDSA-N 0 1 387.404 -1.077 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001589922889 1076078735 /nfs/dbraw/zinc/07/87/35/1076078735.db2.gz HUJWKDOJTCNUDZ-BDAKNGLRSA-N 0 1 388.392 -1.722 20 0 GAADMN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589922891 1076078933 /nfs/dbraw/zinc/07/89/33/1076078933.db2.gz HUJWKDOJTCNUDZ-DTWKUNHWSA-N 0 1 388.392 -1.722 20 0 GAADMN C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589922892 1076078896 /nfs/dbraw/zinc/07/88/96/1076078896.db2.gz HUJWKDOJTCNUDZ-IUCAKERBSA-N 0 1 388.392 -1.722 20 0 GAADMN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001589922893 1076078693 /nfs/dbraw/zinc/07/86/93/1076078693.db2.gz HUJWKDOJTCNUDZ-RKDXNWHRSA-N 0 1 388.392 -1.722 20 0 GAADMN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001589923523 1076079106 /nfs/dbraw/zinc/07/91/06/1076079106.db2.gz VHGDMPKQMABLPF-NXEZZACHSA-N 0 1 387.404 -1.117 20 0 GAADMN C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001589923537 1076079131 /nfs/dbraw/zinc/07/91/31/1076079131.db2.gz VHGDMPKQMABLPF-UWVGGRQHSA-N 0 1 387.404 -1.117 20 0 GAADMN C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001589923539 1076079350 /nfs/dbraw/zinc/07/93/50/1076079350.db2.gz VHGDMPKQMABLPF-VHSXEESVSA-N 0 1 387.404 -1.117 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001589923540 1076079327 /nfs/dbraw/zinc/07/93/27/1076079327.db2.gz VHGDMPKQMABLPF-ZJUUUORDSA-N 0 1 387.404 -1.117 20 0 GAADMN C[C@@H](NC(=O)CNCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001589923552 1076079141 /nfs/dbraw/zinc/07/91/41/1076079141.db2.gz VLZBUSHOEFHNAC-SECBINFHSA-N 0 1 377.409 -1.893 20 0 GAADMN C[C@H](NC(=O)CNCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001589923557 1076079340 /nfs/dbraw/zinc/07/93/40/1076079340.db2.gz VLZBUSHOEFHNAC-VIFPVBQESA-N 0 1 377.409 -1.893 20 0 GAADMN C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001589941651 1076079578 /nfs/dbraw/zinc/07/95/78/1076079578.db2.gz YQFFVXJPTUEVHF-SECBINFHSA-N 0 1 387.404 -1.203 20 0 GAADMN C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001589941655 1076079639 /nfs/dbraw/zinc/07/96/39/1076079639.db2.gz YQFFVXJPTUEVHF-VIFPVBQESA-N 0 1 387.404 -1.203 20 0 GAADMN C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001589943247 1076079616 /nfs/dbraw/zinc/07/96/16/1076079616.db2.gz PSQSEOJCUUWLGA-SECBINFHSA-N 0 1 387.404 -1.203 20 0 GAADMN C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001589943248 1076079689 /nfs/dbraw/zinc/07/96/89/1076079689.db2.gz PSQSEOJCUUWLGA-VIFPVBQESA-N 0 1 387.404 -1.203 20 0 GAADMN C[C@H](N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001589973186 1076079982 /nfs/dbraw/zinc/07/99/82/1076079982.db2.gz CKNKEDUYKSKEQI-DUFXMDAXSA-N 0 1 398.431 -1.000 20 0 GAADMN C[C@@H](N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001589973187 1076080196 /nfs/dbraw/zinc/08/01/96/1076080196.db2.gz CKNKEDUYKSKEQI-LJWDBELGSA-N 0 1 398.431 -1.000 20 0 GAADMN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001589976403 1076080936 /nfs/dbraw/zinc/08/09/36/1076080936.db2.gz KFDQLOYVIBMCQM-GBIKHYSHSA-N 0 1 394.461 -1.120 20 0 GAADMN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001589976406 1076081014 /nfs/dbraw/zinc/08/10/14/1076081014.db2.gz KFDQLOYVIBMCQM-GIPNMCIBSA-N 0 1 394.461 -1.120 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589985211 1076081882 /nfs/dbraw/zinc/08/18/82/1076081882.db2.gz FFPKAOLQBDIXDR-NXEZZACHSA-N 0 1 387.404 -1.628 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589985212 1076081783 /nfs/dbraw/zinc/08/17/83/1076081783.db2.gz FFPKAOLQBDIXDR-UWVGGRQHSA-N 0 1 387.404 -1.628 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589985213 1076081961 /nfs/dbraw/zinc/08/19/61/1076081961.db2.gz FFPKAOLQBDIXDR-VHSXEESVSA-N 0 1 387.404 -1.628 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589985214 1076081801 /nfs/dbraw/zinc/08/18/01/1076081801.db2.gz FFPKAOLQBDIXDR-ZJUUUORDSA-N 0 1 387.404 -1.628 20 0 GAADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589986688 1076081917 /nfs/dbraw/zinc/08/19/17/1076081917.db2.gz PPRTYKGEOJDJLS-GWCFXTLKSA-N 0 1 386.416 -1.023 20 0 GAADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589986689 1076081954 /nfs/dbraw/zinc/08/19/54/1076081954.db2.gz PPRTYKGEOJDJLS-GXFFZTMASA-N 0 1 386.416 -1.023 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589986690 1076081925 /nfs/dbraw/zinc/08/19/25/1076081925.db2.gz PPRTYKGEOJDJLS-MFKMUULPSA-N 0 1 386.416 -1.023 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589986691 1076081894 /nfs/dbraw/zinc/08/18/94/1076081894.db2.gz PPRTYKGEOJDJLS-ZWNOBZJWSA-N 0 1 386.416 -1.023 20 0 GAADMN C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H](C)C1 ZINC001590001196 1076082584 /nfs/dbraw/zinc/08/25/84/1076082584.db2.gz HRVZQAYYONZOOL-GHMZBOCLSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H](O)C[N@@H+]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H](C)C1 ZINC001590001196 1076082579 /nfs/dbraw/zinc/08/25/79/1076082579.db2.gz HRVZQAYYONZOOL-GHMZBOCLSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)[C@H](C)C1 ZINC001590001196 1076082569 /nfs/dbraw/zinc/08/25/69/1076082569.db2.gz HRVZQAYYONZOOL-GHMZBOCLSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H](C)C1 ZINC001590001197 1076082727 /nfs/dbraw/zinc/08/27/27/1076082727.db2.gz HRVZQAYYONZOOL-MNOVXSKESA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H](O)C[N@@H+]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H](C)C1 ZINC001590001197 1076082722 /nfs/dbraw/zinc/08/27/22/1076082722.db2.gz HRVZQAYYONZOOL-MNOVXSKESA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)[C@H](C)C1 ZINC001590001197 1076082716 /nfs/dbraw/zinc/08/27/16/1076082716.db2.gz HRVZQAYYONZOOL-MNOVXSKESA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC001590001198 1076082700 /nfs/dbraw/zinc/08/27/00/1076082700.db2.gz HRVZQAYYONZOOL-QWRGUYRKSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H](O)C[N@@H+]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC001590001198 1076082695 /nfs/dbraw/zinc/08/26/95/1076082695.db2.gz HRVZQAYYONZOOL-QWRGUYRKSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC001590001198 1076082686 /nfs/dbraw/zinc/08/26/86/1076082686.db2.gz HRVZQAYYONZOOL-QWRGUYRKSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC001590001199 1076082675 /nfs/dbraw/zinc/08/26/75/1076082675.db2.gz HRVZQAYYONZOOL-WDEREUQCSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H](O)C[N@@H+]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC001590001199 1076082671 /nfs/dbraw/zinc/08/26/71/1076082671.db2.gz HRVZQAYYONZOOL-WDEREUQCSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC001590001199 1076082662 /nfs/dbraw/zinc/08/26/62/1076082662.db2.gz HRVZQAYYONZOOL-WDEREUQCSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H](C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001590005715 1076082890 /nfs/dbraw/zinc/08/28/90/1076082890.db2.gz NVFVPVWAERHZDQ-BDAKNGLRSA-N 0 1 391.392 -1.312 20 0 GAADMN C[C@@H](OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)N(C)CC(=O)NC1CC1 ZINC001590005717 1076082747 /nfs/dbraw/zinc/08/27/47/1076082747.db2.gz NVFVPVWAERHZDQ-DTWKUNHWSA-N 0 1 391.392 -1.312 20 0 GAADMN C[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)N(C)CC(=O)NC1CC1 ZINC001590005719 1076082619 /nfs/dbraw/zinc/08/26/19/1076082619.db2.gz NVFVPVWAERHZDQ-IUCAKERBSA-N 0 1 391.392 -1.312 20 0 GAADMN C[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)N(C)CC(=O)NC1CC1 ZINC001590005721 1076082770 /nfs/dbraw/zinc/08/27/70/1076082770.db2.gz NVFVPVWAERHZDQ-RKDXNWHRSA-N 0 1 391.392 -1.312 20 0 GAADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CCNC1=O ZINC001590063464 1076083104 /nfs/dbraw/zinc/08/31/04/1076083104.db2.gz ONKPTUFCWOYSCV-NOTQWWDFSA-N 0 1 383.416 -1.019 20 0 GAADMN C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CCNC1=O ZINC001590063469 1076083225 /nfs/dbraw/zinc/08/32/25/1076083225.db2.gz ONKPTUFCWOYSCV-QALDDWHKSA-N 0 1 383.416 -1.019 20 0 GAADMN C[C@]1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CCNC1=O ZINC001590067425 1076083570 /nfs/dbraw/zinc/08/35/70/1076083570.db2.gz ZBAIMHNBSUOODZ-HWPZZCPQSA-N 0 1 387.404 -1.496 20 0 GAADMN C[C@@]1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CCNC1=O ZINC001590067427 1076083731 /nfs/dbraw/zinc/08/37/31/1076083731.db2.gz ZBAIMHNBSUOODZ-MGPLVRAMSA-N 0 1 387.404 -1.496 20 0 GAADMN C[C@]1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CCNC1=O ZINC001590067429 1076084148 /nfs/dbraw/zinc/08/41/48/1076084148.db2.gz ZBAIMHNBSUOODZ-QFYYESIMSA-N 0 1 387.404 -1.496 20 0 GAADMN C[C@@]1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CCNC1=O ZINC001590067432 1076084013 /nfs/dbraw/zinc/08/40/13/1076084013.db2.gz ZBAIMHNBSUOODZ-QLJPJBMISA-N 0 1 387.404 -1.496 20 0 GAADMN C[C@@]1(C(=O)NCCCNc2ccnc(-c3nn[nH]n3)n2)CCCS1(=O)=O ZINC001590068450 1076083916 /nfs/dbraw/zinc/08/39/16/1076083916.db2.gz XKCZKNIUTLBREW-AWEZNQCLSA-N 0 1 380.434 -1.036 20 0 GAADMN C[C@]1(C(=O)NCCCNc2ccnc(-c3nn[nH]n3)n2)CCCS1(=O)=O ZINC001590068451 1076083966 /nfs/dbraw/zinc/08/39/66/1076083966.db2.gz XKCZKNIUTLBREW-CQSZACIVSA-N 0 1 380.434 -1.036 20 0 GAADMN CC1(C)NC(=O)N(CCCC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1=O ZINC001590114336 1076084344 /nfs/dbraw/zinc/08/43/44/1076084344.db2.gz QFARFAWHVXSCKF-UHFFFAOYSA-N 0 1 376.381 -1.315 20 0 GAADMN C[C@]1(CNC(=O)C2(C(N)=O)CC2)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001590127758 1076085065 /nfs/dbraw/zinc/08/50/65/1076085065.db2.gz FOZLYPQXYLHELF-HNNXBMFYSA-N 0 1 387.404 -1.366 20 0 GAADMN C[C@@]1(CNC(=O)C2(C(N)=O)CC2)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001590127761 1076084995 /nfs/dbraw/zinc/08/49/95/1076084995.db2.gz FOZLYPQXYLHELF-OAHLLOKOSA-N 0 1 387.404 -1.366 20 0 GAADMN C[C@]1(NC(=O)CN2C(=O)CCC2=O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590142899 1076084857 /nfs/dbraw/zinc/08/48/57/1076084857.db2.gz BRFVYYKWQFPMNC-INIZCTEOSA-N 0 1 385.388 -1.109 20 0 GAADMN C[C@@]1(NC(=O)CN2C(=O)CCC2=O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590142901 1076085019 /nfs/dbraw/zinc/08/50/19/1076085019.db2.gz BRFVYYKWQFPMNC-MRXNPFEDSA-N 0 1 385.388 -1.109 20 0 GAADMN C[C@]1(NC(=O)CN2C(=O)CNC2=O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590142944 1076084841 /nfs/dbraw/zinc/08/48/41/1076084841.db2.gz FZMCDAGVKUISKI-HNNXBMFYSA-N 0 1 386.376 -1.707 20 0 GAADMN C[C@@]1(NC(=O)CN2C(=O)CNC2=O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590142945 1076084949 /nfs/dbraw/zinc/08/49/49/1076084949.db2.gz FZMCDAGVKUISKI-OAHLLOKOSA-N 0 1 386.376 -1.707 20 0 GAADMN C[C@]1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN(CCN2C(=O)CNC2=O)C1 ZINC001590145091 1076085258 /nfs/dbraw/zinc/08/52/58/1076085258.db2.gz BYEDRTOXWVHOAX-INIZCTEOSA-N 0 1 387.404 -1.059 20 0 GAADMN C[C@@]1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN(CCN2C(=O)CNC2=O)C1 ZINC001590145097 1076085280 /nfs/dbraw/zinc/08/52/80/1076085280.db2.gz BYEDRTOXWVHOAX-MRXNPFEDSA-N 0 1 387.404 -1.059 20 0 GAADMN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1=O ZINC001590153868 1076085303 /nfs/dbraw/zinc/08/53/03/1076085303.db2.gz YWYYFMHSEWCAQC-HNNXBMFYSA-N 0 1 382.344 -1.043 20 0 GAADMN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1=O ZINC001590153869 1076085132 /nfs/dbraw/zinc/08/51/32/1076085132.db2.gz YWYYFMHSEWCAQC-OAHLLOKOSA-N 0 1 382.344 -1.043 20 0 GAADMN C[C@@]12CN(S(=O)(=O)c3cccnc3-c3nn[nH]n3)C[C@@]1(C)C(=O)NC2=O ZINC001590155544 1076085353 /nfs/dbraw/zinc/08/53/53/1076085353.db2.gz JOPLUMBLEDGMQI-KBPBESRZSA-N 0 1 377.386 -1.065 20 0 GAADMN C[C@]12CN(S(=O)(=O)c3cccnc3-c3nn[nH]n3)C[C@@]1(C)C(=O)NC2=O ZINC001590155545 1076085328 /nfs/dbraw/zinc/08/53/28/1076085328.db2.gz JOPLUMBLEDGMQI-OKILXGFUSA-N 0 1 377.386 -1.065 20 0 GAADMN C[C@]12CN(S(=O)(=O)c3cccnc3-c3nn[nH]n3)C[C@]1(C)C(=O)NC2=O ZINC001590155546 1076085213 /nfs/dbraw/zinc/08/52/13/1076085213.db2.gz JOPLUMBLEDGMQI-ZIAGYGMSSA-N 0 1 377.386 -1.065 20 0 GAADMN C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590162912 1076085777 /nfs/dbraw/zinc/08/57/77/1076085777.db2.gz FKSFWSCAQOREPR-JTQLQIEISA-N 0 1 387.404 -1.221 20 0 GAADMN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590162914 1076085726 /nfs/dbraw/zinc/08/57/26/1076085726.db2.gz FKSFWSCAQOREPR-SNVBAGLBSA-N 0 1 387.404 -1.221 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCOCC1=O ZINC001590174535 1076086204 /nfs/dbraw/zinc/08/62/04/1076086204.db2.gz FTXXBZOCTUOVGP-GHMZBOCLSA-N 0 1 387.404 -1.661 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCOCC1=O ZINC001590174537 1076086146 /nfs/dbraw/zinc/08/61/46/1076086146.db2.gz FTXXBZOCTUOVGP-MNOVXSKESA-N 0 1 387.404 -1.661 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCOCC1=O ZINC001590174539 1076086617 /nfs/dbraw/zinc/08/66/17/1076086617.db2.gz FTXXBZOCTUOVGP-QWRGUYRKSA-N 0 1 387.404 -1.661 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CN1CCOCC1=O ZINC001590174541 1076086547 /nfs/dbraw/zinc/08/65/47/1076086547.db2.gz FTXXBZOCTUOVGP-WDEREUQCSA-N 0 1 387.404 -1.661 20 0 GAADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001590175054 1076086640 /nfs/dbraw/zinc/08/66/40/1076086640.db2.gz IVPKZDAOKIPDFR-AAEUAGOBSA-N 0 1 385.432 -1.483 20 0 GAADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001590175055 1076086604 /nfs/dbraw/zinc/08/66/04/1076086604.db2.gz IVPKZDAOKIPDFR-DGCLKSJQSA-N 0 1 385.432 -1.483 20 0 GAADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001590175056 1076086596 /nfs/dbraw/zinc/08/65/96/1076086596.db2.gz IVPKZDAOKIPDFR-WCQYABFASA-N 0 1 385.432 -1.483 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001590175057 1076086485 /nfs/dbraw/zinc/08/64/85/1076086485.db2.gz IVPKZDAOKIPDFR-YPMHNXCESA-N 0 1 385.432 -1.483 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001590175638 1076086680 /nfs/dbraw/zinc/08/66/80/1076086680.db2.gz UGEYWFILVUCWIT-PSASIEDQSA-N 0 1 385.388 -1.467 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001590175639 1076086507 /nfs/dbraw/zinc/08/65/07/1076086507.db2.gz UGEYWFILVUCWIT-SCZZXKLOSA-N 0 1 385.388 -1.467 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001590175640 1076086661 /nfs/dbraw/zinc/08/66/61/1076086661.db2.gz UGEYWFILVUCWIT-WCBMZHEXSA-N 0 1 385.388 -1.467 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001590175641 1076086759 /nfs/dbraw/zinc/08/67/59/1076086759.db2.gz UGEYWFILVUCWIT-WPRPVWTQSA-N 0 1 385.388 -1.467 20 0 GAADMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)Cn1ncn(C)c1=O ZINC001590210794 1076087430 /nfs/dbraw/zinc/08/74/30/1076087430.db2.gz VRSBUVKVJXSYFA-GHMZBOCLSA-N 0 1 384.404 -1.320 20 0 GAADMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)Cn1ncn(C)c1=O ZINC001590210795 1076087411 /nfs/dbraw/zinc/08/74/11/1076087411.db2.gz VRSBUVKVJXSYFA-MNOVXSKESA-N 0 1 384.404 -1.320 20 0 GAADMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)Cn1ncn(C)c1=O ZINC001590210796 1076087458 /nfs/dbraw/zinc/08/74/58/1076087458.db2.gz VRSBUVKVJXSYFA-QWRGUYRKSA-N 0 1 384.404 -1.320 20 0 GAADMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)Cn1ncn(C)c1=O ZINC001590210797 1076087417 /nfs/dbraw/zinc/08/74/17/1076087417.db2.gz VRSBUVKVJXSYFA-WDEREUQCSA-N 0 1 384.404 -1.320 20 0 GAADMN C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590257754 1076087785 /nfs/dbraw/zinc/08/77/85/1076087785.db2.gz YTARJONVWIMKNZ-GHMZBOCLSA-N 0 1 389.420 -1.774 20 0 GAADMN C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590257755 1076087849 /nfs/dbraw/zinc/08/78/49/1076087849.db2.gz YTARJONVWIMKNZ-MNOVXSKESA-N 0 1 389.420 -1.774 20 0 GAADMN C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590257756 1076087690 /nfs/dbraw/zinc/08/76/90/1076087690.db2.gz YTARJONVWIMKNZ-QWRGUYRKSA-N 0 1 389.420 -1.774 20 0 GAADMN C[C@H]1CCCN(C(=O)C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001590257757 1076087767 /nfs/dbraw/zinc/08/77/67/1076087767.db2.gz YTARJONVWIMKNZ-WDEREUQCSA-N 0 1 389.420 -1.774 20 0 GAADMN CC1CCN(C(=O)C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001590265836 1076087829 /nfs/dbraw/zinc/08/78/29/1076087829.db2.gz GIAYTDJMDXRSCR-LLVKDONJSA-N 0 1 389.420 -1.774 20 0 GAADMN CC1CCN(C(=O)C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001590265837 1076087729 /nfs/dbraw/zinc/08/77/29/1076087729.db2.gz GIAYTDJMDXRSCR-NSHDSACASA-N 0 1 389.420 -1.774 20 0 GAADMN CC1CCN(C(=O)C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001590266160 1076087944 /nfs/dbraw/zinc/08/79/44/1076087944.db2.gz LRQZRDPLMGRGJG-GFCCVEGCSA-N 0 1 388.432 -1.169 20 0 GAADMN CC1CCN(C(=O)C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001590266161 1076087650 /nfs/dbraw/zinc/08/76/50/1076087650.db2.gz LRQZRDPLMGRGJG-LBPRGKRZSA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CCN1 ZINC001590282481 1076088252 /nfs/dbraw/zinc/08/82/52/1076088252.db2.gz KEPODXSFDHRCOL-GFCCVEGCSA-N 0 1 385.432 -1.269 20 0 GAADMN C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CCN1 ZINC001590282483 1076088395 /nfs/dbraw/zinc/08/83/95/1076088395.db2.gz KEPODXSFDHRCOL-LBPRGKRZSA-N 0 1 385.432 -1.269 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590288234 1076088660 /nfs/dbraw/zinc/08/86/60/1076088660.db2.gz NPGHAISOUGULHW-GHMZBOCLSA-N 0 1 386.420 -1.247 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590288235 1076089084 /nfs/dbraw/zinc/08/90/84/1076089084.db2.gz NPGHAISOUGULHW-MNOVXSKESA-N 0 1 386.420 -1.247 20 0 GAADMN C[C@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590288236 1076088984 /nfs/dbraw/zinc/08/89/84/1076088984.db2.gz NPGHAISOUGULHW-QWRGUYRKSA-N 0 1 386.420 -1.247 20 0 GAADMN C[C@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590288237 1076089215 /nfs/dbraw/zinc/08/92/15/1076089215.db2.gz NPGHAISOUGULHW-WDEREUQCSA-N 0 1 386.420 -1.247 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590289216 1076089626 /nfs/dbraw/zinc/08/96/26/1076089626.db2.gz ZRTGLSGZOSIULN-GHMZBOCLSA-N 0 1 387.404 -1.804 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590289217 1076089764 /nfs/dbraw/zinc/08/97/64/1076089764.db2.gz ZRTGLSGZOSIULN-MNOVXSKESA-N 0 1 387.404 -1.804 20 0 GAADMN C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590289218 1076089747 /nfs/dbraw/zinc/08/97/47/1076089747.db2.gz ZRTGLSGZOSIULN-QWRGUYRKSA-N 0 1 387.404 -1.804 20 0 GAADMN C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001590289219 1076089407 /nfs/dbraw/zinc/08/94/07/1076089407.db2.gz ZRTGLSGZOSIULN-WDEREUQCSA-N 0 1 387.404 -1.804 20 0 GAADMN C[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+]1CC(C)(C)O ZINC001590290659 1076089585 /nfs/dbraw/zinc/08/95/85/1076089585.db2.gz BMBNMYWPTFLBDY-JTQLQIEISA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+]1CC(C)(C)O ZINC001590290659 1076089578 /nfs/dbraw/zinc/08/95/78/1076089578.db2.gz BMBNMYWPTFLBDY-JTQLQIEISA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@H]1CN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC[N@H+]1CC(C)(C)O ZINC001590290659 1076089571 /nfs/dbraw/zinc/08/95/71/1076089571.db2.gz BMBNMYWPTFLBDY-JTQLQIEISA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+]1CC(C)(C)O ZINC001590290660 1076089525 /nfs/dbraw/zinc/08/95/25/1076089525.db2.gz BMBNMYWPTFLBDY-SNVBAGLBSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+]1CC(C)(C)O ZINC001590290660 1076089521 /nfs/dbraw/zinc/08/95/21/1076089521.db2.gz BMBNMYWPTFLBDY-SNVBAGLBSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H]1CN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC[N@H+]1CC(C)(C)O ZINC001590290660 1076089515 /nfs/dbraw/zinc/08/95/15/1076089515.db2.gz BMBNMYWPTFLBDY-SNVBAGLBSA-N 0 1 392.420 -1.567 20 0 GAADMN C[C@@H]1CN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1CC(C)(C)O ZINC001590291800 1076090268 /nfs/dbraw/zinc/09/02/68/1076090268.db2.gz PYJMFQDZPINXSW-LLVKDONJSA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@@H]1CN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1CC(C)(C)O ZINC001590291800 1076090263 /nfs/dbraw/zinc/09/02/63/1076090263.db2.gz PYJMFQDZPINXSW-LLVKDONJSA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1CC(C)(C)O ZINC001590291800 1076090256 /nfs/dbraw/zinc/09/02/56/1076090256.db2.gz PYJMFQDZPINXSW-LLVKDONJSA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@H]1CN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1CC(C)(C)O ZINC001590291801 1076090027 /nfs/dbraw/zinc/09/00/27/1076090027.db2.gz PYJMFQDZPINXSW-NSHDSACASA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@H]1CN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1CC(C)(C)O ZINC001590291801 1076090024 /nfs/dbraw/zinc/09/00/24/1076090024.db2.gz PYJMFQDZPINXSW-NSHDSACASA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1CC(C)(C)O ZINC001590291801 1076090018 /nfs/dbraw/zinc/09/00/18/1076090018.db2.gz PYJMFQDZPINXSW-NSHDSACASA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590293703 1076089935 /nfs/dbraw/zinc/08/99/35/1076089935.db2.gz JHCGWDBZVSHMMF-UWVGGRQHSA-N 0 1 382.388 -1.018 20 0 GAADMN C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590293705 1076090163 /nfs/dbraw/zinc/09/01/63/1076090163.db2.gz JHCGWDBZVSHMMF-VHSXEESVSA-N 0 1 382.388 -1.018 20 0 GAADMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001590293707 1076090195 /nfs/dbraw/zinc/09/01/95/1076090195.db2.gz JHCGWDBZVSHMMF-ZJUUUORDSA-N 0 1 382.388 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C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590303006 1076090558 /nfs/dbraw/zinc/09/05/58/1076090558.db2.gz DKBFUTZGIXSKLV-LLVKDONJSA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590303006 1076090553 /nfs/dbraw/zinc/09/05/53/1076090553.db2.gz DKBFUTZGIXSKLV-LLVKDONJSA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590303009 1076090502 /nfs/dbraw/zinc/09/05/02/1076090502.db2.gz DKBFUTZGIXSKLV-NSHDSACASA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590303009 1076090494 /nfs/dbraw/zinc/09/04/94/1076090494.db2.gz DKBFUTZGIXSKLV-NSHDSACASA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001590303009 1076090491 /nfs/dbraw/zinc/09/04/91/1076090491.db2.gz DKBFUTZGIXSKLV-NSHDSACASA-N 0 1 378.441 -1.055 20 0 GAADMN C[C@@H]1C[NH+](CCCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H](C)O1 ZINC001590303459 1076090704 /nfs/dbraw/zinc/09/07/04/1076090704.db2.gz HGDXQFCNMBBMNP-GHMZBOCLSA-N 0 1 392.420 -1.256 20 0 GAADMN C[C@@H]1C[N@H+](CCCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC001590303464 1076090415 /nfs/dbraw/zinc/09/04/15/1076090415.db2.gz HGDXQFCNMBBMNP-PHIMTYICSA-N 0 1 392.420 -1.256 20 0 GAADMN C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC001590303464 1076090412 /nfs/dbraw/zinc/09/04/12/1076090412.db2.gz HGDXQFCNMBBMNP-PHIMTYICSA-N 0 1 392.420 -1.256 20 0 GAADMN C[C@@H]1C[N@H+](CCCNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC001590303464 1076090407 /nfs/dbraw/zinc/09/04/07/1076090407.db2.gz HGDXQFCNMBBMNP-PHIMTYICSA-N 0 1 392.420 -1.256 20 0 GAADMN C[C@H]1C[NH+](CCCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC001590303467 1076090462 /nfs/dbraw/zinc/09/04/62/1076090462.db2.gz HGDXQFCNMBBMNP-QWRGUYRKSA-N 0 1 392.420 -1.256 20 0 GAADMN CC[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001590441330 1076091909 /nfs/dbraw/zinc/09/19/09/1076091909.db2.gz UPBWRTSVXZFVLD-JTQLQIEISA-N 0 1 387.404 -1.116 20 0 GAADMN CC[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001590441331 1076091843 /nfs/dbraw/zinc/09/18/43/1076091843.db2.gz UPBWRTSVXZFVLD-SNVBAGLBSA-N 0 1 387.404 -1.116 20 0 GAADMN CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001590446302 1076091781 /nfs/dbraw/zinc/09/17/81/1076091781.db2.gz JKALFLIHQFOVDF-MRVPVSSYSA-N 0 1 375.436 -1.132 20 0 GAADMN CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001590446303 1076091972 /nfs/dbraw/zinc/09/19/72/1076091972.db2.gz JKALFLIHQFOVDF-QMMMGPOBSA-N 0 1 375.436 -1.132 20 0 GAADMN CC[C@]1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CCNC1=O ZINC001590484446 1076091901 /nfs/dbraw/zinc/09/19/01/1076091901.db2.gz RUQVWZAQJXOIPD-KRWDZBQOSA-N 0 1 388.432 -1.167 20 0 GAADMN CC[C@@]1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CCNC1=O ZINC001590484447 1076091821 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CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001590681446 1076093635 /nfs/dbraw/zinc/09/36/35/1076093635.db2.gz IVMXLVZTPYULIV-SNVBAGLBSA-N 0 1 393.408 -1.065 20 0 GAADMN CCN(CC)S(=O)(=O)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001590688503 1076093925 /nfs/dbraw/zinc/09/39/25/1076093925.db2.gz PAYOJABXMYZLRB-UHFFFAOYSA-N 0 1 398.453 -1.811 20 0 GAADMN CCN(CCCNC(=O)CN1CCOCC1=O)c1ccnc(-c2nn[nH]n2)n1 ZINC001590694998 1076093717 /nfs/dbraw/zinc/09/37/17/1076093717.db2.gz DNFUKLZVMCZDLW-UHFFFAOYSA-N 0 1 389.420 -1.152 20 0 GAADMN CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001590701160 1076094133 /nfs/dbraw/zinc/09/41/33/1076094133.db2.gz YUWMHRGNNQUAHA-LLVKDONJSA-N 0 1 388.436 -1.499 20 0 GAADMN CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001590701160 1076094127 /nfs/dbraw/zinc/09/41/27/1076094127.db2.gz YUWMHRGNNQUAHA-LLVKDONJSA-N 0 1 388.436 -1.499 20 0 GAADMN CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001590701161 1076094365 /nfs/dbraw/zinc/09/43/65/1076094365.db2.gz YUWMHRGNNQUAHA-NSHDSACASA-N 0 1 388.436 -1.499 20 0 GAADMN CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001590701161 1076094358 /nfs/dbraw/zinc/09/43/58/1076094358.db2.gz YUWMHRGNNQUAHA-NSHDSACASA-N 0 1 388.436 -1.499 20 0 GAADMN CCN(CCNCC(=O)N1CCNC(=O)C1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590709230 1076094303 /nfs/dbraw/zinc/09/43/03/1076094303.db2.gz NYKXMHCEPVANMK-UHFFFAOYSA-N 0 1 389.420 -1.795 20 0 GAADMN CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)CN1C(=O)CNC1=O ZINC001590711123 1076094632 /nfs/dbraw/zinc/09/46/32/1076094632.db2.gz UEUOSBVPFHBQEI-UHFFFAOYSA-N 0 1 387.404 -1.196 20 0 GAADMN CCN(c1ccnc(-c2nn[nH]n2)n1)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001590725060 1076094540 /nfs/dbraw/zinc/09/45/40/1076094540.db2.gz FUTNGOZORCWKDG-SECBINFHSA-N 0 1 388.392 -1.461 20 0 GAADMN CCN1C(=O)[C@H]2CN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)CCN2C1=O ZINC001590725940 1076094611 /nfs/dbraw/zinc/09/46/11/1076094611.db2.gz WIOJXJOVPSPBAD-SECBINFHSA-N 0 1 389.380 -1.864 20 0 GAADMN CCN1C(=O)[C@@H]2CN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)CCN2C1=O ZINC001590725941 1076094617 /nfs/dbraw/zinc/09/46/17/1076094617.db2.gz WIOJXJOVPSPBAD-VIFPVBQESA-N 0 1 389.380 -1.864 20 0 GAADMN CC[NH+]1CCN(C2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)CC1 ZINC001590735044 1076095009 /nfs/dbraw/zinc/09/50/09/1076095009.db2.gz OGPQUZNCOLFKOR-UHFFFAOYSA-N 0 1 375.437 -1.910 20 0 GAADMN CC[NH+]1CCN([C@H](C)CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001590735087 1076095040 /nfs/dbraw/zinc/09/50/40/1076095040.db2.gz QOUICVDZOUNYBM-LLVKDONJSA-N 0 1 391.436 -1.729 20 0 GAADMN CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001590735088 1076095244 /nfs/dbraw/zinc/09/52/44/1076095244.db2.gz QOUICVDZOUNYBM-NSHDSACASA-N 0 1 391.436 -1.729 20 0 GAADMN CCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001590735718 1076094907 /nfs/dbraw/zinc/09/49/07/1076094907.db2.gz ADWRBUMEJXKGHM-UTUOFQBUSA-N 0 1 389.420 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/nfs/dbraw/zinc/13/33/24/1076133324.db2.gz KMEJHMHPZFHQMV-SECBINFHSA-N 0 1 375.393 -1.211 20 0 GAADMN C[N@H+]1CCC[C@@H](NC(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)C1 ZINC001591185273 1076133322 /nfs/dbraw/zinc/13/33/22/1076133322.db2.gz KMEJHMHPZFHQMV-SECBINFHSA-N 0 1 375.393 -1.211 20 0 GAADMN C[N@H+]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001591185274 1076133143 /nfs/dbraw/zinc/13/31/43/1076133143.db2.gz KMEJHMHPZFHQMV-VIFPVBQESA-N 0 1 375.393 -1.211 20 0 GAADMN C[N@@H+]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001591185274 1076133138 /nfs/dbraw/zinc/13/31/38/1076133138.db2.gz KMEJHMHPZFHQMV-VIFPVBQESA-N 0 1 375.393 -1.211 20 0 GAADMN C[N@H+]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)C1 ZINC001591185274 1076133130 /nfs/dbraw/zinc/13/31/30/1076133130.db2.gz KMEJHMHPZFHQMV-VIFPVBQESA-N 0 1 375.393 -1.211 20 0 GAADMN C[N@H+]1CCCC[C@H]1CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001591188666 1076133239 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JQUJVHKROCHXHZ-SNVBAGLBSA-N 0 1 377.409 -1.088 20 0 GAADMN CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591191239 1076133744 /nfs/dbraw/zinc/13/37/44/1076133744.db2.gz AXHZEMWVTOSRSK-HNNXBMFYSA-N 0 1 386.460 -1.113 20 0 GAADMN CN1CCN(C)[C@H](CNC(=O)C(=O)NCCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591191240 1076133726 /nfs/dbraw/zinc/13/37/26/1076133726.db2.gz AXHZEMWVTOSRSK-OAHLLOKOSA-N 0 1 386.460 -1.113 20 0 GAADMN CN(CCCNC(=O)CN1CCN(C)C(=O)C1)c1ccncc1-c1nn[nH]n1 ZINC001591191437 1076133673 /nfs/dbraw/zinc/13/36/73/1076133673.db2.gz FYCRAQQTBMOUDA-UHFFFAOYSA-N 0 1 387.448 -1.022 20 0 GAADMN CN1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+](C)CC1 ZINC001591191455 1076133711 /nfs/dbraw/zinc/13/37/11/1076133711.db2.gz GQCUDDQFZDPYSD-UHFFFAOYSA-N 0 1 377.409 -2.165 20 0 GAADMN CN1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+](C)CC1 ZINC001591191455 1076133710 /nfs/dbraw/zinc/13/37/10/1076133710.db2.gz GQCUDDQFZDPYSD-UHFFFAOYSA-N 0 1 377.409 -2.165 20 0 GAADMN CN1CCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC[N@@H+](C)CC1 ZINC001591191455 1076133707 /nfs/dbraw/zinc/13/37/07/1076133707.db2.gz GQCUDDQFZDPYSD-UHFFFAOYSA-N 0 1 377.409 -2.165 20 0 GAADMN CN1CCN(CC(=O)NCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001591191505 1076133669 /nfs/dbraw/zinc/13/36/69/1076133669.db2.gz INTGIDWUKPRDQW-UHFFFAOYSA-N 0 1 378.462 -1.092 20 0 GAADMN CN1CCN(CC(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1=O ZINC001591191505 1076133666 /nfs/dbraw/zinc/13/36/66/1076133666.db2.gz INTGIDWUKPRDQW-UHFFFAOYSA-N 0 1 378.462 -1.092 20 0 GAADMN CN1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+](C)CC1 ZINC001591191521 1076134279 /nfs/dbraw/zinc/13/42/79/1076134279.db2.gz JMNBVDNEZJBZPZ-UHFFFAOYSA-N 0 1 391.436 -1.775 20 0 GAADMN CN1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+](C)CC1 ZINC001591191521 1076134278 /nfs/dbraw/zinc/13/42/78/1076134278.db2.gz JMNBVDNEZJBZPZ-UHFFFAOYSA-N 0 1 391.436 -1.775 20 0 GAADMN CN1CCN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC[N@@H+](C)CC1 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CN1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)CC1=O ZINC001591195533 1076135841 /nfs/dbraw/zinc/13/58/41/1076135841.db2.gz QGRDEQUPRVEZSR-UHFFFAOYSA-N 0 1 382.344 -1.356 20 0 GAADMN CNC(=O)C1(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001591199444 1076136025 /nfs/dbraw/zinc/13/60/25/1076136025.db2.gz AQDMXYSZPQJKSF-JTQLQIEISA-N 0 1 389.420 -1.774 20 0 GAADMN CNC(=O)C1(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001591199445 1076135774 /nfs/dbraw/zinc/13/57/74/1076135774.db2.gz AQDMXYSZPQJKSF-SNVBAGLBSA-N 0 1 389.420 -1.774 20 0 GAADMN CNC(=O)C1(C(=O)N(C)C[C@H](O)CNc2ccncc2-c2nn[nH]n2)CCC1 ZINC001591200889 1076136998 /nfs/dbraw/zinc/13/69/98/1076136998.db2.gz ZCLPZUWQNRDXPQ-LLVKDONJSA-N 0 1 388.432 -1.169 20 0 GAADMN CNC(=O)C1(C(=O)N(C)C[C@@H](O)CNc2ccncc2-c2nn[nH]n2)CCC1 ZINC001591200891 1076137013 /nfs/dbraw/zinc/13/70/13/1076137013.db2.gz ZCLPZUWQNRDXPQ-NSHDSACASA-N 0 1 388.432 -1.169 20 0 GAADMN CNC(=O)C1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001591200953 1076136867 /nfs/dbraw/zinc/13/68/67/1076136867.db2.gz ZYZNYCVZAXBJPR-UHFFFAOYSA-N 0 1 375.393 -2.162 20 0 GAADMN CNC(=O)C1(C(=O)NCCN(CCOC)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001591201117 1076136944 /nfs/dbraw/zinc/13/69/44/1076136944.db2.gz AQOKQSNVSFQINF-UHFFFAOYSA-N 0 1 389.420 -1.248 20 0 GAADMN CNC(=O)C1(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001591202872 1076137914 /nfs/dbraw/zinc/13/79/14/1076137914.db2.gz OQOFJYGKYYQQPY-JTQLQIEISA-N 0 1 387.404 -1.496 20 0 GAADMN CNC(=O)C1(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001591202873 1076137832 /nfs/dbraw/zinc/13/78/32/1076137832.db2.gz OQOFJYGKYYQQPY-SNVBAGLBSA-N 0 1 387.404 -1.496 20 0 GAADMN CNC(=O)C1(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001591202880 1076137823 /nfs/dbraw/zinc/13/78/23/1076137823.db2.gz OWJVEBNJWWJGBN-HNNXBMFYSA-N 0 1 387.404 -1.760 20 0 GAADMN CNC(=O)C1(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001591202881 1076137810 /nfs/dbraw/zinc/13/78/10/1076137810.db2.gz OWJVEBNJWWJGBN-OAHLLOKOSA-N 0 1 387.404 -1.760 20 0 GAADMN CNC(=O)C1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CC1 ZINC001591203254 1076137894 /nfs/dbraw/zinc/13/78/94/1076137894.db2.gz VUQATFYVXDRDJA-JTQLQIEISA-N 0 1 387.404 -1.496 20 0 GAADMN CNC(=O)C1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CC1 ZINC001591203257 1076137883 /nfs/dbraw/zinc/13/78/83/1076137883.db2.gz VUQATFYVXDRDJA-SNVBAGLBSA-N 0 1 387.404 -1.496 20 0 GAADMN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591203820 1076138304 /nfs/dbraw/zinc/13/83/04/1076138304.db2.gz LGSNQBYWQDHZNA-BDAKNGLRSA-N 0 1 376.381 -2.128 20 0 GAADMN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591203822 1076138365 /nfs/dbraw/zinc/13/83/65/1076138365.db2.gz LGSNQBYWQDHZNA-DTWKUNHWSA-N 0 1 376.381 -2.128 20 0 GAADMN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591203823 1076138412 /nfs/dbraw/zinc/13/84/12/1076138412.db2.gz LGSNQBYWQDHZNA-IUCAKERBSA-N 0 1 376.381 -2.128 20 0 GAADMN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591203824 1076138297 /nfs/dbraw/zinc/13/82/97/1076138297.db2.gz LGSNQBYWQDHZNA-RKDXNWHRSA-N 0 1 376.381 -2.128 20 0 GAADMN CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001591203884 1076138805 /nfs/dbraw/zinc/13/88/05/1076138805.db2.gz NJQCUFPHFXHSCH-MRVPVSSYSA-N 0 1 399.458 -1.057 20 0 GAADMN CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001591203885 1076138855 /nfs/dbraw/zinc/13/88/55/1076138855.db2.gz NJQCUFPHFXHSCH-QMMMGPOBSA-N 0 1 399.458 -1.057 20 0 GAADMN CNC(=O)CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001591206418 1076139397 /nfs/dbraw/zinc/13/93/97/1076139397.db2.gz ZKXVADZKGPRSQO-GHMZBOCLSA-N 0 1 389.420 -1.371 20 0 GAADMN CNC(=O)C[NH+]1CCC(Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC001591208205 1076139218 /nfs/dbraw/zinc/13/92/18/1076139218.db2.gz DYJKQMCNXTYFHB-UHFFFAOYSA-N 0 1 377.409 -2.114 20 0 GAADMN CNC(=O)CN1CCC(NS(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001591208651 1076139330 /nfs/dbraw/zinc/13/93/30/1076139330.db2.gz ORJRIMQAVSFLCG-UHFFFAOYSA-N 0 1 380.434 -1.250 20 0 GAADMN CNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1c1cnn(C)c1 ZINC001591209030 1076139314 /nfs/dbraw/zinc/13/93/14/1076139314.db2.gz YDJBJEGCPLNUNZ-SMDDNHRTSA-N 0 1 398.431 -1.128 20 0 GAADMN CNC(=O)NC(=O)CCN1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591209288 1076139184 /nfs/dbraw/zinc/13/91/84/1076139184.db2.gz AUHRMLFNNTYNDD-UHFFFAOYSA-N 0 1 376.425 -1.124 20 0 GAADMN CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CCO1 ZINC001591210362 1076139811 /nfs/dbraw/zinc/13/98/11/1076139811.db2.gz ILFQFZAWAGNYRD-SECBINFHSA-N 0 1 382.406 -1.420 20 0 GAADMN CNC(=O)NC[C@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CCO1 ZINC001591210363 1076139748 /nfs/dbraw/zinc/13/97/48/1076139748.db2.gz ILFQFZAWAGNYRD-VIFPVBQESA-N 0 1 382.406 -1.420 20 0 GAADMN CNC(=O)NCC(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001591210440 1076139698 /nfs/dbraw/zinc/13/96/98/1076139698.db2.gz BZUJUTYCLZAHBF-UHFFFAOYSA-N 0 1 378.397 -2.106 20 0 GAADMN CNC(=O)NCC(=O)N(C)CCOCCNc1ccncc1-c1nn[nH]n1 ZINC001591210441 1076139719 /nfs/dbraw/zinc/13/97/19/1076139719.db2.gz CGXYRRRWBJRNOG-UHFFFAOYSA-N 0 1 377.409 -1.501 20 0 GAADMN CNC(=O)NCC(=O)N(C)CCOCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001591210451 1076139832 /nfs/dbraw/zinc/13/98/32/1076139832.db2.gz HIIVTXSMFNCDMG-UHFFFAOYSA-N 0 1 392.424 -1.503 20 0 GAADMN CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591213591 1076140217 /nfs/dbraw/zinc/14/02/17/1076140217.db2.gz FVJDDJJETUFAMT-ZDUSSCGKSA-N 0 1 397.399 -1.207 20 0 GAADMN CNC(=O)c1ccc(CS(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001591213720 1076140145 /nfs/dbraw/zinc/14/01/45/1076140145.db2.gz UMZBLWMLTDFPTA-UHFFFAOYSA-N 0 1 391.417 -1.063 20 0 GAADMN CNC(=O)c1cc(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)cn1C ZINC001591214076 1076140207 /nfs/dbraw/zinc/14/02/07/1076140207.db2.gz RYEWRVRLIXZFAH-UHFFFAOYSA-N 0 1 380.394 -1.865 20 0 GAADMN C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC001591215290 1076139990 /nfs/dbraw/zinc/13/99/90/1076139990.db2.gz ILQSXRQUYQTLHA-GFCCVEGCSA-N 0 1 385.432 -1.269 20 0 GAADMN C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC001591215290 1076139986 /nfs/dbraw/zinc/13/99/86/1076139986.db2.gz ILQSXRQUYQTLHA-GFCCVEGCSA-N 0 1 385.432 -1.269 20 0 GAADMN C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC001591215291 1076140125 /nfs/dbraw/zinc/14/01/25/1076140125.db2.gz ILQSXRQUYQTLHA-LBPRGKRZSA-N 0 1 385.432 -1.269 20 0 GAADMN C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC001591215291 1076140121 /nfs/dbraw/zinc/14/01/21/1076140121.db2.gz ILQSXRQUYQTLHA-LBPRGKRZSA-N 0 1 385.432 -1.269 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCn2ncn(C)c2=O)c1-c1nn[n-]n1 ZINC001591216763 1076140044 /nfs/dbraw/zinc/14/00/44/1076140044.db2.gz FPBARZAAWCYUJE-UHFFFAOYSA-N 0 1 375.397 -1.334 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCn2ncn(C)c2=O)c1-c1nnn[n-]1 ZINC001591216763 1076140040 /nfs/dbraw/zinc/14/00/40/1076140040.db2.gz FPBARZAAWCYUJE-UHFFFAOYSA-N 0 1 375.397 -1.334 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1-c1nn[n-]n1 ZINC001591217137 1076140606 /nfs/dbraw/zinc/14/06/06/1076140606.db2.gz ZJFSAHJMRCTIBV-UHFFFAOYSA-N 0 1 388.392 -1.609 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1-c1nnn[n-]1 ZINC001591217137 1076140602 /nfs/dbraw/zinc/14/06/02/1076140602.db2.gz ZJFSAHJMRCTIBV-UHFFFAOYSA-N 0 1 388.392 -1.609 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(OC)CS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC001591218607 1076140693 /nfs/dbraw/zinc/14/06/93/1076140693.db2.gz VVAYOZMVNKJHTK-UHFFFAOYSA-N 0 1 384.422 -1.506 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(OC)CS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC001591218607 1076140691 /nfs/dbraw/zinc/14/06/91/1076140691.db2.gz VVAYOZMVNKJHTK-UHFFFAOYSA-N 0 1 384.422 -1.506 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001591219241 1076141198 /nfs/dbraw/zinc/14/11/98/1076141198.db2.gz IBVRFKCKDOOJET-NXEZZACHSA-N 0 1 395.449 -1.463 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001591219262 1076140963 /nfs/dbraw/zinc/14/09/63/1076140963.db2.gz JASGFXDDPXMNHW-IHWYPQMZSA-N 0 1 381.422 -1.898 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001591219264 1076141001 /nfs/dbraw/zinc/14/10/01/1076141001.db2.gz JASGFXDDPXMNHW-NSCUHMNNSA-N 0 1 381.422 -1.898 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001591219281 1076140952 /nfs/dbraw/zinc/14/09/52/1076140952.db2.gz BEOONKAWEYJIEI-NXEZZACHSA-N 0 1 395.449 -1.866 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001591219354 1076140972 /nfs/dbraw/zinc/14/09/72/1076140972.db2.gz DVHSNQOKHOVECH-JTQLQIEISA-N 0 1 382.450 -1.070 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001591219358 1076141206 /nfs/dbraw/zinc/14/12/06/1076141206.db2.gz DVHSNQOKHOVECH-SNVBAGLBSA-N 0 1 382.450 -1.070 20 0 GAADMN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001591219377 1076140981 /nfs/dbraw/zinc/14/09/81/1076140981.db2.gz FSEWSASANIDKLG-NOZJJQNGSA-N 0 1 394.461 -1.200 20 0 GAADMN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)C1 ZINC001591219389 1076140940 /nfs/dbraw/zinc/14/09/40/1076140940.db2.gz LZSWPBZPRBARGQ-NXEZZACHSA-N 0 1 383.438 -1.193 20 0 GAADMN CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)C1 ZINC001591219392 1076141091 /nfs/dbraw/zinc/14/10/91/1076141091.db2.gz LZSWPBZPRBARGQ-UWVGGRQHSA-N 0 1 383.438 -1.193 20 0 GAADMN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)C1 ZINC001591219394 1076141668 /nfs/dbraw/zinc/14/16/68/1076141668.db2.gz LZSWPBZPRBARGQ-VHSXEESVSA-N 0 1 383.438 -1.193 20 0 GAADMN CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)C1 ZINC001591219397 1076141579 /nfs/dbraw/zinc/14/15/79/1076141579.db2.gz LZSWPBZPRBARGQ-ZJUUUORDSA-N 0 1 383.438 -1.193 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001591219624 1076141529 /nfs/dbraw/zinc/14/15/29/1076141529.db2.gz QQXOVOARYNXLAW-UHFFFAOYSA-N 0 1 382.450 -1.198 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001591219670 1076141537 /nfs/dbraw/zinc/14/15/37/1076141537.db2.gz YFIDJIJPZWACIU-SECBINFHSA-N 0 1 383.438 -1.675 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001591219671 1076142127 /nfs/dbraw/zinc/14/21/27/1076142127.db2.gz YFIDJIJPZWACIU-VIFPVBQESA-N 0 1 383.438 -1.675 20 0 GAADMN CNS(=O)(=O)c1ccc(CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001591219899 1076142051 /nfs/dbraw/zinc/14/20/51/1076142051.db2.gz CSWYFPLPXLJNST-UHFFFAOYSA-N 0 1 391.417 -1.275 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCC=CCNc1ccncc1-c1nn[nH]n1 ZINC001591219942 1076142026 /nfs/dbraw/zinc/14/20/26/1076142026.db2.gz FLTCQXRAQDGUHL-IHWYPQMZSA-N 0 1 381.422 -2.178 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCC=CCNc1ccncc1-c1nn[nH]n1 ZINC001591219943 1076142110 /nfs/dbraw/zinc/14/21/10/1076142110.db2.gz FLTCQXRAQDGUHL-NSCUHMNNSA-N 0 1 381.422 -2.178 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001591220009 1076142117 /nfs/dbraw/zinc/14/21/17/1076142117.db2.gz IJQNADWQYAXUGP-UHFFFAOYSA-N 0 1 383.438 -1.742 20 0 GAADMN CNS(=O)(=O)CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001591220080 1076142605 /nfs/dbraw/zinc/14/26/05/1076142605.db2.gz HIVMLSHYVGRLBU-UHFFFAOYSA-N 0 1 382.374 -1.028 20 0 GAADMN CNS(=O)(=O)NCC(=O)NCCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001591220083 1076142612 /nfs/dbraw/zinc/14/26/12/1076142612.db2.gz LJKVCRPQSRSNIS-UHFFFAOYSA-N 0 1 383.438 -2.036 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001591220285 1076142654 /nfs/dbraw/zinc/14/26/54/1076142654.db2.gz WTDVXRFKZRPLKY-UHFFFAOYSA-N 0 1 388.479 -1.470 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001591220285 1076142653 /nfs/dbraw/zinc/14/26/53/1076142653.db2.gz WTDVXRFKZRPLKY-UHFFFAOYSA-N 0 1 388.479 -1.470 20 0 GAADMN CNS(=O)(=O)NCC(=O)N(C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001591220455 1076142918 /nfs/dbraw/zinc/14/29/18/1076142918.db2.gz SLEHXKWFAFQOFE-UHFFFAOYSA-N 0 1 383.438 -2.002 20 0 GAADMN CNS(=O)(=O)NC1CCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 ZINC001591220488 1076143081 /nfs/dbraw/zinc/14/30/81/1076143081.db2.gz UZNIJFRMUKXPBC-MRVPVSSYSA-N 0 1 384.426 -1.936 20 0 GAADMN CNS(=O)(=O)NC1CCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 ZINC001591220489 1076143020 /nfs/dbraw/zinc/14/30/20/1076143020.db2.gz UZNIJFRMUKXPBC-QMMMGPOBSA-N 0 1 384.426 -1.936 20 0 GAADMN CNS(=O)(=O)c1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC001591220801 1076142944 /nfs/dbraw/zinc/14/29/44/1076142944.db2.gz ITXPESNIUMZEFQ-UHFFFAOYSA-N 0 1 377.390 -1.317 20 0 GAADMN COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001591248539 1076143938 /nfs/dbraw/zinc/14/39/38/1076143938.db2.gz ODRAOTBXFCTHJJ-GHMZBOCLSA-N 0 1 390.404 -1.225 20 0 GAADMN COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001591248543 1076143911 /nfs/dbraw/zinc/14/39/11/1076143911.db2.gz ODRAOTBXFCTHJJ-MNOVXSKESA-N 0 1 390.404 -1.225 20 0 GAADMN COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001591248545 1076144008 /nfs/dbraw/zinc/14/40/08/1076144008.db2.gz ODRAOTBXFCTHJJ-QWRGUYRKSA-N 0 1 390.404 -1.225 20 0 GAADMN COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001591248547 1076144044 /nfs/dbraw/zinc/14/40/44/1076144044.db2.gz ODRAOTBXFCTHJJ-WDEREUQCSA-N 0 1 390.404 -1.225 20 0 GAADMN COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC001591250236 1076144018 /nfs/dbraw/zinc/14/40/18/1076144018.db2.gz YZPDHEFTSCUJNQ-BDAKNGLRSA-N 0 1 378.349 -1.589 20 0 GAADMN COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001591250237 1076144129 /nfs/dbraw/zinc/14/41/29/1076144129.db2.gz YZPDHEFTSCUJNQ-DTWKUNHWSA-N 0 1 378.349 -1.589 20 0 GAADMN COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC001591250238 1076143991 /nfs/dbraw/zinc/14/39/91/1076143991.db2.gz YZPDHEFTSCUJNQ-IUCAKERBSA-N 0 1 378.349 -1.589 20 0 GAADMN COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC001591250239 1076144458 /nfs/dbraw/zinc/14/44/58/1076144458.db2.gz YZPDHEFTSCUJNQ-RKDXNWHRSA-N 0 1 378.349 -1.589 20 0 GAADMN COC(=O)C1CCN(C(=O)COC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 ZINC001591251870 1076144417 /nfs/dbraw/zinc/14/44/17/1076144417.db2.gz HFROVSIYHCORGE-SECBINFHSA-N 0 1 392.376 -1.026 20 0 GAADMN COC(=O)C1CCN(C(=O)COC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 ZINC001591251871 1076144478 /nfs/dbraw/zinc/14/44/78/1076144478.db2.gz HFROVSIYHCORGE-VIFPVBQESA-N 0 1 392.376 -1.026 20 0 GAADMN COC(=O)[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C(=O)OC)C1 ZINC001591253115 1076144449 /nfs/dbraw/zinc/14/44/49/1076144449.db2.gz QAOVNRIPPPVXMX-BDAKNGLRSA-N 0 1 378.349 -1.589 20 0 GAADMN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001591253118 1076144498 /nfs/dbraw/zinc/14/44/98/1076144498.db2.gz QAOVNRIPPPVXMX-DTWKUNHWSA-N 0 1 378.349 -1.589 20 0 GAADMN COC(=O)[C@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C(=O)OC)C1 ZINC001591253120 1076144369 /nfs/dbraw/zinc/14/43/69/1076144369.db2.gz QAOVNRIPPPVXMX-IUCAKERBSA-N 0 1 378.349 -1.589 20 0 GAADMN COC(=O)[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C(=O)OC)C1 ZINC001591253122 1076144391 /nfs/dbraw/zinc/14/43/91/1076144391.db2.gz QAOVNRIPPPVXMX-RKDXNWHRSA-N 0 1 378.349 -1.589 20 0 GAADMN COC(=O)C1CC[NH+](CCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591253840 1076144771 /nfs/dbraw/zinc/14/47/71/1076144771.db2.gz VGQLLTMGSCQHAI-UHFFFAOYSA-N 0 1 377.409 -1.151 20 0 GAADMN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591254190 1076144885 /nfs/dbraw/zinc/14/48/85/1076144885.db2.gz NXDOMIFOUZEUJX-HTQZYQBOSA-N 0 1 384.378 -2.182 20 0 GAADMN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591254206 1076144962 /nfs/dbraw/zinc/14/49/62/1076144962.db2.gz NXDOMIFOUZEUJX-JGVFFNPUSA-N 0 1 384.378 -2.182 20 0 GAADMN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591254209 1076144893 /nfs/dbraw/zinc/14/48/93/1076144893.db2.gz NXDOMIFOUZEUJX-SFYZADRCSA-N 0 1 384.378 -2.182 20 0 GAADMN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591254212 1076144789 /nfs/dbraw/zinc/14/47/89/1076144789.db2.gz NXDOMIFOUZEUJX-YUMQZZPRSA-N 0 1 384.378 -2.182 20 0 GAADMN COC(=O)[C@@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC[N@@H+](C)C1 ZINC001591255060 1076144900 /nfs/dbraw/zinc/14/49/00/1076144900.db2.gz OJEQRHBZEUISHE-JTQLQIEISA-N 0 1 378.397 -1.796 20 0 GAADMN COC(=O)[C@H]1CN(C(=O)NCCn2cnc(-c3nnn[n-]3)n2)CC[N@@H+](C)C1 ZINC001591255064 1076144739 /nfs/dbraw/zinc/14/47/39/1076144739.db2.gz OJEQRHBZEUISHE-SNVBAGLBSA-N 0 1 378.397 -1.796 20 0 GAADMN COC(=O)[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[N@@H+](C)C1 ZINC001591255964 1076145459 /nfs/dbraw/zinc/14/54/59/1076145459.db2.gz YDUSHBHDALOTSW-SECBINFHSA-N 0 1 378.393 -2.195 20 0 GAADMN COC(=O)[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[N@H+](C)C1 ZINC001591255964 1076145456 /nfs/dbraw/zinc/14/54/56/1076145456.db2.gz YDUSHBHDALOTSW-SECBINFHSA-N 0 1 378.393 -2.195 20 0 GAADMN COC(=O)[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC[N@@H+](C)C1 ZINC001591255964 1076145454 /nfs/dbraw/zinc/14/54/54/1076145454.db2.gz YDUSHBHDALOTSW-SECBINFHSA-N 0 1 378.393 -2.195 20 0 GAADMN COC(=O)[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[N@@H+](C)C1 ZINC001591255971 1076145434 /nfs/dbraw/zinc/14/54/34/1076145434.db2.gz YDUSHBHDALOTSW-VIFPVBQESA-N 0 1 378.393 -2.195 20 0 GAADMN COC(=O)[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[N@H+](C)C1 ZINC001591255971 1076145431 /nfs/dbraw/zinc/14/54/31/1076145431.db2.gz YDUSHBHDALOTSW-VIFPVBQESA-N 0 1 378.393 -2.195 20 0 GAADMN COC(=O)[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC[N@@H+](C)C1 ZINC001591255971 1076145429 /nfs/dbraw/zinc/14/54/29/1076145429.db2.gz YDUSHBHDALOTSW-VIFPVBQESA-N 0 1 378.393 -2.195 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001591261504 1076145820 /nfs/dbraw/zinc/14/58/20/1076145820.db2.gz PFIABLYXTYTKJK-SSDOTTSWSA-N 0 1 386.415 -1.020 20 0 GAADMN COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001591261505 1076145866 /nfs/dbraw/zinc/14/58/66/1076145866.db2.gz PFIABLYXTYTKJK-ZETCQYMHSA-N 0 1 386.415 -1.020 20 0 GAADMN COC(=O)CCNC(=O)CCNS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001591264653 1076145785 /nfs/dbraw/zinc/14/57/85/1076145785.db2.gz FMTOMIAYAWEOEH-UHFFFAOYSA-N 0 1 383.390 -1.391 20 0 GAADMN COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591267024 1076146253 /nfs/dbraw/zinc/14/62/53/1076146253.db2.gz FOLQNQGQKUTAFU-UHFFFAOYSA-N 0 1 392.424 -2.293 20 0 GAADMN COC(=O)Cc1ccccc1NC(=O)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001591271304 1076146348 /nfs/dbraw/zinc/14/63/48/1076146348.db2.gz DQEJKYOYKUPDBQ-UHFFFAOYSA-N 0 1 399.371 -1.071 20 0 GAADMN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591284041 1076147416 /nfs/dbraw/zinc/14/74/16/1076147416.db2.gz SVMHIYHIXAOZFN-UWVGGRQHSA-N 0 1 393.408 -1.161 20 0 GAADMN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001591284042 1076147403 /nfs/dbraw/zinc/14/74/03/1076147403.db2.gz SVMHIYHIXAOZFN-ZJUUUORDSA-N 0 1 393.408 -1.161 20 0 GAADMN COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@]1(O)CCN(C)C1 ZINC001591285986 1076147298 /nfs/dbraw/zinc/14/72/98/1076147298.db2.gz PBBFIFJSUFDPHG-HNNXBMFYSA-N 0 1 396.429 -1.002 20 0 GAADMN COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@]1(O)CCN(C)C1 ZINC001591285987 1076147468 /nfs/dbraw/zinc/14/74/68/1076147468.db2.gz PBBFIFJSUFDPHG-OAHLLOKOSA-N 0 1 396.429 -1.002 20 0 GAADMN COC(=O)c1cc(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)cn1C ZINC001591289196 1076147917 /nfs/dbraw/zinc/14/79/17/1076147917.db2.gz KRPLOIIDSTXQHY-UHFFFAOYSA-N 0 1 381.378 -1.438 20 0 GAADMN COC(=O)c1cccc(NC(=O)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001591302587 1076147885 /nfs/dbraw/zinc/14/78/85/1076147885.db2.gz RCMCKBDINGRSDP-UHFFFAOYSA-N 0 1 385.344 -1.000 20 0 GAADMN COC(=O)c1ccccc1NC(=O)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001591303868 1076148043 /nfs/dbraw/zinc/14/80/43/1076148043.db2.gz CPTRHANPJBUZTM-UHFFFAOYSA-N 0 1 385.344 -1.000 20 0 GAADMN COC(=O)c1cn(C2CN(S(=O)(=O)c3cccnc3-c3nn[nH]n3)C2)nn1 ZINC001591307055 1076147942 /nfs/dbraw/zinc/14/79/42/1076147942.db2.gz XXHXNRJHOJOLLI-UHFFFAOYSA-N 0 1 391.373 -1.115 20 0 GAADMN COC(OC)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 ZINC001591333077 1076148380 /nfs/dbraw/zinc/14/83/80/1076148380.db2.gz CQJKHXZOUSCRPK-UHFFFAOYSA-N 0 1 386.390 -1.089 20 0 GAADMN COCC(=O)N(C)CC(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001591364137 1076148919 /nfs/dbraw/zinc/14/89/19/1076148919.db2.gz SKHZDCLOSIOFDC-UHFFFAOYSA-N 0 1 377.409 -1.556 20 0 GAADMN COCC(=O)N(C)CC(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001591365054 1076149309 /nfs/dbraw/zinc/14/93/09/1076149309.db2.gz IVCOYAYWRGPLNH-UHFFFAOYSA-N 0 1 377.409 -1.296 20 0 GAADMN COCC(=O)N[C@H](C(=O)NCCNc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001591367493 1076149296 /nfs/dbraw/zinc/14/92/96/1076149296.db2.gz ANBUCYIOYVBGBY-LBPRGKRZSA-N 0 1 377.409 -1.606 20 0 GAADMN COCC(=O)N[C@H](C(=O)NCCNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001591367575 1076149792 /nfs/dbraw/zinc/14/97/92/1076149792.db2.gz UQLQWUZWXIFWSV-AWEZNQCLSA-N 0 1 376.421 -1.001 20 0 GAADMN COC[C@H](NC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1)C(N)=O ZINC001591380008 1076150289 /nfs/dbraw/zinc/15/02/89/1076150289.db2.gz WUBFWLIARNXBDS-JTQLQIEISA-N 0 1 378.393 -1.004 20 0 GAADMN COC[C@@H](NC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1)C(N)=O ZINC001591380009 1076150193 /nfs/dbraw/zinc/15/01/93/1076150193.db2.gz WUBFWLIARNXBDS-SNVBAGLBSA-N 0 1 378.393 -1.004 20 0 GAADMN COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591388098 1076150733 /nfs/dbraw/zinc/15/07/33/1076150733.db2.gz SDEFQNFOFMEGPN-ABAIWWIYSA-N 0 1 379.425 -1.175 20 0 GAADMN COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591388099 1076150644 /nfs/dbraw/zinc/15/06/44/1076150644.db2.gz 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C[C@]12CN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001591758576 1076170081 /nfs/dbraw/zinc/17/00/81/1076170081.db2.gz AMURCBJCSNZEGO-OKILXGFUSA-N 0 1 395.449 -1.076 20 0 GAADMN C[C@H](NC(N)=O)C(=O)N(C)CCOCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001591768791 1076170493 /nfs/dbraw/zinc/17/04/93/1076170493.db2.gz JKZNCKWZNGUKMF-JTQLQIEISA-N 0 1 392.424 -1.375 20 0 GAADMN C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CCN1 ZINC001591772353 1076170335 /nfs/dbraw/zinc/17/03/35/1076170335.db2.gz TZZIPGMGHVJSGJ-LBPRGKRZSA-N 0 1 385.432 -1.269 20 0 GAADMN C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CCN1 ZINC001591772404 1076170340 /nfs/dbraw/zinc/17/03/40/1076170340.db2.gz XHAQELDOMBWOMY-LBPRGKRZSA-N 0 1 385.432 -1.269 20 0 GAADMN C[C@H]1C[N@H+](C2CCOCC2)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001591773158 1076170555 /nfs/dbraw/zinc/17/05/55/1076170555.db2.gz FYZKSXICHFISFS-JTQLQIEISA-N 0 1 376.421 -1.057 20 0 GAADMN C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001591773158 1076170551 /nfs/dbraw/zinc/17/05/51/1076170551.db2.gz FYZKSXICHFISFS-JTQLQIEISA-N 0 1 376.421 -1.057 20 0 GAADMN C[C@H]1C[N@H+](C2CCOCC2)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nnn[n-]1 ZINC001591773158 1076170547 /nfs/dbraw/zinc/17/05/47/1076170547.db2.gz FYZKSXICHFISFS-JTQLQIEISA-N 0 1 376.421 -1.057 20 0 GAADMN C[C@H]1C[N@H+](C2CCOCC2)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001591773342 1076170356 /nfs/dbraw/zinc/17/03/56/1076170356.db2.gz JFUJKJBPBMROGM-NSHDSACASA-N 0 1 390.448 -1.046 20 0 GAADMN C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001591773342 1076170354 /nfs/dbraw/zinc/17/03/54/1076170354.db2.gz JFUJKJBPBMROGM-NSHDSACASA-N 0 1 390.448 -1.046 20 0 GAADMN C[C@H]1C[N@H+](C2CCOCC2)CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC001591773342 1076170353 /nfs/dbraw/zinc/17/03/53/1076170353.db2.gz JFUJKJBPBMROGM-NSHDSACASA-N 0 1 390.448 -1.046 20 0 GAADMN C[C@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCN1S(C)(=O)=O ZINC001591773727 1076170471 /nfs/dbraw/zinc/17/04/71/1076170471.db2.gz ADVZNHUWHPDQHF-VIFPVBQESA-N 0 1 384.426 -1.867 20 0 GAADMN C[C@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CCN1S(C)(=O)=O ZINC001591774092 1076170451 /nfs/dbraw/zinc/17/04/51/1076170451.db2.gz SDHOADKJTJFFIQ-VIFPVBQESA-N 0 1 387.447 -1.084 20 0 GAADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001591787024 1076171169 /nfs/dbraw/zinc/17/11/69/1076171169.db2.gz FKIPMMXAUNGDOE-KRWDZBQOSA-N 0 1 391.432 -1.016 20 0 GAADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001591787025 1076171141 /nfs/dbraw/zinc/17/11/41/1076171141.db2.gz FKIPMMXAUNGDOE-QGZVFWFLSA-N 0 1 391.432 -1.016 20 0 GAADMN Cc1c(CCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cnn1C ZINC001591815802 1076171703 /nfs/dbraw/zinc/17/17/03/1076171703.db2.gz DWTZFUKUZRFWGG-OLZOCXBDSA-N 0 1 398.431 -1.003 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001591890077 1076174327 /nfs/dbraw/zinc/17/43/27/1076174327.db2.gz FXTSVESQVLPHEV-CHWSQXEVSA-N 0 1 385.432 -1.273 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001591890077 1076174321 /nfs/dbraw/zinc/17/43/21/1076174321.db2.gz FXTSVESQVLPHEV-CHWSQXEVSA-N 0 1 385.432 -1.273 20 0 GAADMN Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c[nH]1 ZINC001591904639 1076176490 /nfs/dbraw/zinc/17/64/90/1076176490.db2.gz JLGBQZYADBRYJE-PWSUYJOCSA-N 0 1 383.372 -1.367 20 0 GAADMN Cc1cc(N(C)CCCNC(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001591996609 1076177006 /nfs/dbraw/zinc/17/70/06/1076177006.db2.gz XGASBFRXHQZGTE-UHFFFAOYSA-N 0 1 387.448 -1.056 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@H]3CCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592002231 1076177021 /nfs/dbraw/zinc/17/70/21/1076177021.db2.gz PFBBCDJWNMKUOA-APPDUMDISA-N 0 1 386.416 -1.236 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@@H]3CCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592002232 1076176969 /nfs/dbraw/zinc/17/69/69/1076176969.db2.gz PFBBCDJWNMKUOA-DIFFPNOSSA-N 0 1 386.416 -1.236 20 0 GAADMN Cc1cc(N2CC[C@](O)(CNC(=O)[C@H]3CCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592002233 1076176984 /nfs/dbraw/zinc/17/69/84/1076176984.db2.gz PFBBCDJWNMKUOA-GTNSWQLSSA-N 0 1 386.416 -1.236 20 0 GAADMN Cc1cc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592002234 1076176961 /nfs/dbraw/zinc/17/69/61/1076176961.db2.gz PFBBCDJWNMKUOA-PIGZYNQJSA-N 0 1 386.416 -1.236 20 0 GAADMN Cc1cc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592007764 1076176925 /nfs/dbraw/zinc/17/69/25/1076176925.db2.gz KBEVZBQPUXMOBQ-UHFFFAOYSA-N 0 1 385.388 -1.229 20 0 GAADMN Cc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592008006 1076177045 /nfs/dbraw/zinc/17/70/45/1076177045.db2.gz YUIKUOBISWWRSS-KBPBESRZSA-N 0 1 379.446 -1.150 20 0 GAADMN Cc1cc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592008010 1076177037 /nfs/dbraw/zinc/17/70/37/1076177037.db2.gz YUIKUOBISWWRSS-KGLIPLIRSA-N 0 1 379.446 -1.150 20 0 GAADMN Cc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592008012 1076176915 /nfs/dbraw/zinc/17/69/15/1076176915.db2.gz YUIKUOBISWWRSS-UONOGXRCSA-N 0 1 379.446 -1.150 20 0 GAADMN Cc1cc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592008014 1076177025 /nfs/dbraw/zinc/17/70/25/1076177025.db2.gz YUIKUOBISWWRSS-ZIAGYGMSSA-N 0 1 379.446 -1.150 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592009876 1076177063 /nfs/dbraw/zinc/17/70/63/1076177063.db2.gz SUPNEHPUCKBWAS-SNVBAGLBSA-N 0 1 385.388 -1.183 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010138 1076176976 /nfs/dbraw/zinc/17/69/76/1076176976.db2.gz JQBKGMTWVAJGIF-MWLCHTKSSA-N 0 1 396.358 -1.383 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C(=O)NCC3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010237 1076176938 /nfs/dbraw/zinc/17/69/38/1076176938.db2.gz QIMYKWPNPBBNNG-TZMCWYRMSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cc(=O)n(C)cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010528 1076176981 /nfs/dbraw/zinc/17/69/81/1076176981.db2.gz NMZPDXPZQWVKME-TZMCWYRMSA-N 0 1 397.399 -1.357 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010594 1076177351 /nfs/dbraw/zinc/17/73/51/1076177351.db2.gz RVHBDQSHNHQQKI-TZMCWYRMSA-N 0 1 397.399 -1.357 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010632 1076177448 /nfs/dbraw/zinc/17/74/48/1076177448.db2.gz VERDJYCTTQRLGK-DGCLKSJQSA-N 0 1 395.445 -1.329 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)C[C@H]3CCNC3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010698 1076177406 /nfs/dbraw/zinc/17/74/06/1076177406.db2.gz BJYDYZVPRXDJDM-QKCSRTOESA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)C[C@@H]3CCNC3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010699 1076177394 /nfs/dbraw/zinc/17/73/94/1076177394.db2.gz BJYDYZVPRXDJDM-SUHUHFCYSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@]3(C)CCNC3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010735 1076177485 /nfs/dbraw/zinc/17/74/85/1076177485.db2.gz FIJKFVLKKUVVLK-BTJLNZGRSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@]3(C)CCNC3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010736 1076177434 /nfs/dbraw/zinc/17/74/34/1076177434.db2.gz FIJKFVLKKUVVLK-ZUCKAHLUSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010783 1076177440 /nfs/dbraw/zinc/17/74/40/1076177440.db2.gz JQBKGMTWVAJGIF-KOLCDFICSA-N 0 1 396.358 -1.383 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)c3cc(=O)n(C)cn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010824 1076177474 /nfs/dbraw/zinc/17/74/74/1076177474.db2.gz NMZPDXPZQWVKME-OCCSQVGLSA-N 0 1 397.399 -1.357 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)c3cnn(C)c3N)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010826 1076177480 /nfs/dbraw/zinc/17/74/80/1076177480.db2.gz NOSYOHQBGMIHGB-YPMHNXCESA-N 0 1 384.404 -1.135 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)c3cn(C)c(=O)n3C)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010850 1076177343 /nfs/dbraw/zinc/17/73/43/1076177343.db2.gz PIELKXKARUATRO-RISCZKNCSA-N 0 1 399.415 -1.413 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)C(=O)NCC3CC3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010865 1076177374 /nfs/dbraw/zinc/17/73/74/1076177374.db2.gz QIMYKWPNPBBNNG-OCCSQVGLSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592010908 1076177402 /nfs/dbraw/zinc/17/74/02/1076177402.db2.gz VERDJYCTTQRLGK-YPMHNXCESA-N 0 1 395.445 -1.329 20 0 GAADMN Cc1cc(NC(=O)C(=O)N2CCN(Cc3nnc[nH]3)CC2)ncc1-c1nn[nH]n1 ZINC001592013385 1076177466 /nfs/dbraw/zinc/17/74/66/1076177466.db2.gz HNSWMUCBDGPOSJ-UHFFFAOYSA-N 0 1 397.403 -1.029 20 0 GAADMN Cc1cc(N[C@@H](C)CN(C)C(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592033364 1076177980 /nfs/dbraw/zinc/17/79/80/1076177980.db2.gz PJAWIBXDRJKQBU-JTQLQIEISA-N 0 1 387.404 -1.197 20 0 GAADMN Cc1cc(N[C@H](C)CN(C)C(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592033378 1076177986 /nfs/dbraw/zinc/17/79/86/1076177986.db2.gz PJAWIBXDRJKQBU-SNVBAGLBSA-N 0 1 387.404 -1.197 20 0 GAADMN Cc1cc(NC[C@@H](C)CNC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592038796 1076177975 /nfs/dbraw/zinc/17/79/75/1076177975.db2.gz MCSCHGWRLKFMNI-SECBINFHSA-N 0 1 387.404 -1.292 20 0 GAADMN Cc1cc(NC[C@H](C)CNC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592038797 1076178004 /nfs/dbraw/zinc/17/80/04/1076178004.db2.gz MCSCHGWRLKFMNI-VIFPVBQESA-N 0 1 387.404 -1.292 20 0 GAADMN Cc1cc(NC/C=C\CNC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592045830 1076177991 /nfs/dbraw/zinc/17/79/91/1076177991.db2.gz BYQSNKWMFUWBRJ-IHWYPQMZSA-N 0 1 385.388 -1.372 20 0 GAADMN Cc1cc(NC/C=C/CNC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592045831 1076178032 /nfs/dbraw/zinc/17/80/32/1076178032.db2.gz BYQSNKWMFUWBRJ-NSCUHMNNSA-N 0 1 385.388 -1.372 20 0 GAADMN Cc1cc(NCCCNC(=O)CCCS(N)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047282 1076178026 /nfs/dbraw/zinc/17/80/26/1076178026.db2.gz JGUNMDVQYKBAGZ-UHFFFAOYSA-N 0 1 382.450 -1.021 20 0 GAADMN Cc1cc(NCCCN(C)C(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047542 1076178000 /nfs/dbraw/zinc/17/80/00/1076178000.db2.gz OSYJQCGUDYQSLY-UHFFFAOYSA-N 0 1 387.404 -1.196 20 0 GAADMN Cc1cc(NCCCNC(=O)[C@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047868 1076178008 /nfs/dbraw/zinc/17/80/08/1076178008.db2.gz RLKCYWKPZIQAHY-JTQLQIEISA-N 0 1 382.450 -1.152 20 0 GAADMN Cc1cc(NCCCNC(=O)[C@@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047869 1076177953 /nfs/dbraw/zinc/17/79/53/1076177953.db2.gz RLKCYWKPZIQAHY-SNVBAGLBSA-N 0 1 382.450 -1.152 20 0 GAADMN Cc1cc(NCCCNC(=O)CN2CC(=O)N(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047879 1076178486 /nfs/dbraw/zinc/17/84/86/1076178486.db2.gz RUCKWNBVDWPPLY-UHFFFAOYSA-N 0 1 387.404 -1.196 20 0 GAADMN Cc1cc(NCCNC(=O)C(C)(C)NS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592048809 1076178464 /nfs/dbraw/zinc/17/84/64/1076178464.db2.gz YDQJKFOASBGZKI-UHFFFAOYSA-N 0 1 382.450 -1.152 20 0 GAADMN Cc1cc(NCCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592049252 1076178509 /nfs/dbraw/zinc/17/85/09/1076178509.db2.gz MDRBJCYXBFPFOF-ZDUSSCGKSA-N 0 1 382.388 -1.101 20 0 GAADMN Cc1cc(NCCNC(=O)CN2CCCS2(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592049376 1076178528 /nfs/dbraw/zinc/17/85/28/1076178528.db2.gz SCIJKJZQXJAGHQ-UHFFFAOYSA-N 0 1 380.434 -1.444 20 0 GAADMN Cc1cc(NCCNC(=O)CNS(=O)(=O)N(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592049553 1076178557 /nfs/dbraw/zinc/17/85/57/1076178557.db2.gz YQGMZTVFOUFOFF-UHFFFAOYSA-N 0 1 383.438 -2.084 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)CN2C(=O)CN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001592051195 1076178374 /nfs/dbraw/zinc/17/83/74/1076178374.db2.gz DWQQZEQKXPFWEE-JTQLQIEISA-N 0 1 387.404 -1.197 20 0 GAADMN Cc1cc(N[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592054408 1076178539 /nfs/dbraw/zinc/17/85/39/1076178539.db2.gz QZEIXMGEWBJZKQ-SNVBAGLBSA-N 0 1 385.388 -1.443 20 0 GAADMN Cc1cc(N[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592055134 1076178494 /nfs/dbraw/zinc/17/84/94/1076178494.db2.gz WBLYYNIZBZNQNG-QMTHXVAHSA-N 0 1 398.431 -1.154 20 0 GAADMN Cc1cc(N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2cnn(C)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592055183 1076178482 /nfs/dbraw/zinc/17/84/82/1076178482.db2.gz ZFJDNPSXIPGPFA-GXTWGEPZSA-N 0 1 396.415 -1.383 20 0 GAADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592055427 1076178500 /nfs/dbraw/zinc/17/85/00/1076178500.db2.gz VGVNADDPBHCCED-TXEJJXNPSA-N 0 1 386.416 -1.090 20 0 GAADMN Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592055519 1076178457 /nfs/dbraw/zinc/17/84/57/1076178457.db2.gz BHEKBLXYRMIKSE-AUTRQRHGSA-N 0 1 385.388 -1.351 20 0 GAADMN Cc1ccc(S(=O)(=O)NCC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001592193595 1076179373 /nfs/dbraw/zinc/17/93/73/1076179373.db2.gz XTFJXFAVJKVZTE-UHFFFAOYSA-N 0 1 391.417 -1.139 20 0 GAADMN Cc1cnn(CC(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001592303853 1076179781 /nfs/dbraw/zinc/17/97/81/1076179781.db2.gz ZDBRHPLFYWXDNZ-GFCCVEGCSA-N 0 1 384.404 -1.077 20 0 GAADMN Cc1cnn(CC(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001592303856 1076179906 /nfs/dbraw/zinc/17/99/06/1076179906.db2.gz ZDBRHPLFYWXDNZ-LBPRGKRZSA-N 0 1 384.404 -1.077 20 0 GAADMN Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001592326013 1076180234 /nfs/dbraw/zinc/18/02/34/1076180234.db2.gz DUJRFQRYQVISKZ-VXGBXAGGSA-N 0 1 384.404 -1.095 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCNC(=O)CC3)CC2)o1 ZINC001592336893 1076180197 /nfs/dbraw/zinc/18/01/97/1076180197.db2.gz GYFWXYXDOLIXGE-UHFFFAOYSA-N 0 1 389.420 -1.366 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCn4cnnc4C3)CC2)o1 ZINC001592336962 1076180416 /nfs/dbraw/zinc/18/04/16/1076180416.db2.gz KCVLONQGJMGBNR-UHFFFAOYSA-N 0 1 399.419 -1.081 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3C[C@H](O)[C@@H](O)C3)CC2)o1 ZINC001592337047 1076180426 /nfs/dbraw/zinc/18/04/26/1076180426.db2.gz NTCJIDPMZWBJCW-QWRGUYRKSA-N 0 1 378.393 -2.151 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC(C)(C(N)=O)C3)CC2)o1 ZINC001592337161 1076180336 /nfs/dbraw/zinc/18/03/36/1076180336.db2.gz OOIYPNNPOHCHHU-UHFFFAOYSA-N 0 1 389.420 -1.381 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@H]3CN(C)NC3=O)CC2)o1 ZINC001592338119 1076180218 /nfs/dbraw/zinc/18/02/18/1076180218.db2.gz JDQOWLWPJVOJFB-JTQLQIEISA-N 0 1 375.393 -1.159 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@@H]3CN(C)NC3=O)CC2)o1 ZINC001592338122 1076180445 /nfs/dbraw/zinc/18/04/45/1076180445.db2.gz JDQOWLWPJVOJFB-SNVBAGLBSA-N 0 1 375.393 -1.159 20 0 GAADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC001592418398 978022795 /nfs/dbraw/zinc/02/27/95/978022795.db2.gz LIJAMOMQZDVPBU-LLVKDONJSA-N 0 1 379.421 -1.089 20 0 GAADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC001592418399 978021941 /nfs/dbraw/zinc/02/19/41/978021941.db2.gz LIJAMOMQZDVPBU-NSHDSACASA-N 0 1 379.421 -1.089 20 0 GAADMN Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3COCCN3)CC2)c1-c1nn[nH]n1 ZINC001592431194 1076182733 /nfs/dbraw/zinc/18/27/33/1076182733.db2.gz PRMRHLBETMYWJD-GFCCVEGCSA-N 0 1 390.452 -1.271 20 0 GAADMN Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3COCCN3)CC2)c1-c1nn[nH]n1 ZINC001592431195 1076182848 /nfs/dbraw/zinc/18/28/48/1076182848.db2.gz PRMRHLBETMYWJD-LBPRGKRZSA-N 0 1 390.452 -1.271 20 0 GAADMN Cc1nn(C)cc1CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001592435463 1076183263 /nfs/dbraw/zinc/18/32/63/1076183263.db2.gz DYWPYCOBZMTMHH-OLZOCXBDSA-N 0 1 398.431 -1.003 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c(=O)n1C ZINC001592438501 1076183798 /nfs/dbraw/zinc/18/37/98/1076183798.db2.gz FBPIXHRLSGHOGL-KOLCDFICSA-N 0 1 399.419 -1.356 20 0 GAADMN Cc1nnc(CC(=O)N(C)CCOCCNc2ccnc(-c3nn[nH]n3)n2)o1 ZINC001592441126 1076183767 /nfs/dbraw/zinc/18/37/67/1076183767.db2.gz SSBRMYKXOYJCOA-UHFFFAOYSA-N 0 1 388.392 -1.100 20 0 GAADMN Cc1nonc1CC(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592467619 1076184134 /nfs/dbraw/zinc/18/41/34/1076184134.db2.gz WESWYPHVIVFIBD-UHFFFAOYSA-N 0 1 388.392 -1.100 20 0 GAADMN Cc1nsc(N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1-c1nn[n-]n1 ZINC001592473457 1076184228 /nfs/dbraw/zinc/18/42/28/1076184228.db2.gz ATRGZIAAFIGZKW-UHFFFAOYSA-N 0 1 379.450 -1.303 20 0 GAADMN Cn1c(=O)[nH]c(N2CC[NH+](CC3CCOCC3)CC2)c(-c2nn[n-]n2)c1=O ZINC001592543746 1076185153 /nfs/dbraw/zinc/18/51/53/1076185153.db2.gz LFVSEHANWDQOIV-UHFFFAOYSA-N 0 1 376.421 -1.198 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1=O ZINC001592544770 1076185278 /nfs/dbraw/zinc/18/52/78/1076185278.db2.gz YXFHNBLDYSAPIB-LLVKDONJSA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1=O ZINC001592544770 1076185276 /nfs/dbraw/zinc/18/52/76/1076185276.db2.gz YXFHNBLDYSAPIB-LLVKDONJSA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1=O ZINC001592544770 1076185273 /nfs/dbraw/zinc/18/52/73/1076185273.db2.gz YXFHNBLDYSAPIB-LLVKDONJSA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1=O ZINC001592544771 1076185202 /nfs/dbraw/zinc/18/52/02/1076185202.db2.gz YXFHNBLDYSAPIB-NSHDSACASA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1=O ZINC001592544771 1076185200 /nfs/dbraw/zinc/18/52/00/1076185200.db2.gz YXFHNBLDYSAPIB-NSHDSACASA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1=O ZINC001592544771 1076185197 /nfs/dbraw/zinc/18/51/97/1076185197.db2.gz YXFHNBLDYSAPIB-NSHDSACASA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(=O)[nH]c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[n-]n2)c1=O ZINC001592546356 1076185644 /nfs/dbraw/zinc/18/56/44/1076185644.db2.gz OBTOYJFVKPPFQT-SECBINFHSA-N 0 1 377.409 -1.335 20 0 GAADMN Cn1c(=O)[nH]c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[n-]n2)c1=O ZINC001592546356 1076185642 /nfs/dbraw/zinc/18/56/42/1076185642.db2.gz OBTOYJFVKPPFQT-SECBINFHSA-N 0 1 377.409 -1.335 20 0 GAADMN Cn1c(=O)[nH]c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nnn[n-]2)c1=O ZINC001592546356 1076185641 /nfs/dbraw/zinc/18/56/41/1076185641.db2.gz OBTOYJFVKPPFQT-SECBINFHSA-N 0 1 377.409 -1.335 20 0 GAADMN Cn1c(=O)[nH]c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[n-]n2)c1=O ZINC001592546357 1076185663 /nfs/dbraw/zinc/18/56/63/1076185663.db2.gz OBTOYJFVKPPFQT-VIFPVBQESA-N 0 1 377.409 -1.335 20 0 GAADMN Cn1c(=O)[nH]c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[n-]n2)c1=O ZINC001592546357 1076185659 /nfs/dbraw/zinc/18/56/59/1076185659.db2.gz OBTOYJFVKPPFQT-VIFPVBQESA-N 0 1 377.409 -1.335 20 0 GAADMN Cn1c(=O)[nH]c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2nnn[n-]2)c1=O ZINC001592546357 1076185656 /nfs/dbraw/zinc/18/56/56/1076185656.db2.gz OBTOYJFVKPPFQT-VIFPVBQESA-N 0 1 377.409 -1.335 20 0 GAADMN Cn1c(=O)ccn(CC(=O)NCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1=O ZINC001592547318 1076185601 /nfs/dbraw/zinc/18/56/01/1076185601.db2.gz SVWALAZCNDDOLH-UHFFFAOYSA-N 0 1 390.429 -1.305 20 0 GAADMN Cn1c(=O)ccn(CC(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1=O ZINC001592547318 1076185598 /nfs/dbraw/zinc/18/55/98/1076185598.db2.gz SVWALAZCNDDOLH-UHFFFAOYSA-N 0 1 390.429 -1.305 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[NH+](C[C@H]3CCCO3)CC2)n(C)c1=O ZINC001592553251 1076186744 /nfs/dbraw/zinc/18/67/44/1076186744.db2.gz IYZQDHGBOGCQEF-LLVKDONJSA-N 0 1 376.421 -1.435 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n(C)c1=O ZINC001592553252 1076186824 /nfs/dbraw/zinc/18/68/24/1076186824.db2.gz IYZQDHGBOGCQEF-NSHDSACASA-N 0 1 376.421 -1.435 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([N@H+]3CCCOCC3)CC2)n(C)c1=O ZINC001592553358 1076186859 /nfs/dbraw/zinc/18/68/59/1076186859.db2.gz OGDCGONSYISXRC-UHFFFAOYSA-N 0 1 390.448 -1.045 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([N@@H+]3CCCOCC3)CC2)n(C)c1=O ZINC001592553358 1076186857 /nfs/dbraw/zinc/18/68/57/1076186857.db2.gz OGDCGONSYISXRC-UHFFFAOYSA-N 0 1 390.448 -1.045 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC([N@H+]3CCCOCC3)CC2)n(C)c1=O ZINC001592553358 1076186856 /nfs/dbraw/zinc/18/68/56/1076186856.db2.gz OGDCGONSYISXRC-UHFFFAOYSA-N 0 1 390.448 -1.045 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[NH+](CCCCCO)CC2)n(C)c1=O ZINC001592553532 1076187016 /nfs/dbraw/zinc/18/70/16/1076187016.db2.gz RWWVBJAGFFVRNB-UHFFFAOYSA-N 0 1 378.437 -1.451 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553559 1076187178 /nfs/dbraw/zinc/18/71/78/1076187178.db2.gz SRIKZDYPIMTEMW-GHMZBOCLSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n(C)c1=O ZINC001592553559 1076187176 /nfs/dbraw/zinc/18/71/76/1076187176.db2.gz SRIKZDYPIMTEMW-GHMZBOCLSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553559 1076187173 /nfs/dbraw/zinc/18/71/73/1076187173.db2.gz SRIKZDYPIMTEMW-GHMZBOCLSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553560 1076187127 /nfs/dbraw/zinc/18/71/27/1076187127.db2.gz SRIKZDYPIMTEMW-MNOVXSKESA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n(C)c1=O ZINC001592553560 1076187122 /nfs/dbraw/zinc/18/71/22/1076187122.db2.gz SRIKZDYPIMTEMW-MNOVXSKESA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553560 1076187117 /nfs/dbraw/zinc/18/71/17/1076187117.db2.gz SRIKZDYPIMTEMW-MNOVXSKESA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553561 1076187042 /nfs/dbraw/zinc/18/70/42/1076187042.db2.gz SRIKZDYPIMTEMW-QWRGUYRKSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n(C)c1=O ZINC001592553561 1076187037 /nfs/dbraw/zinc/18/70/37/1076187037.db2.gz SRIKZDYPIMTEMW-QWRGUYRKSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553561 1076187035 /nfs/dbraw/zinc/18/70/35/1076187035.db2.gz SRIKZDYPIMTEMW-QWRGUYRKSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553562 1076187213 /nfs/dbraw/zinc/18/72/13/1076187213.db2.gz SRIKZDYPIMTEMW-WDEREUQCSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n(C)c1=O ZINC001592553562 1076187210 /nfs/dbraw/zinc/18/72/10/1076187210.db2.gz SRIKZDYPIMTEMW-WDEREUQCSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553562 1076187206 /nfs/dbraw/zinc/18/72/06/1076187206.db2.gz SRIKZDYPIMTEMW-WDEREUQCSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(C)([NH+]3CCOCC3)CC2)n(C)c1=O ZINC001592553719 1076187149 /nfs/dbraw/zinc/18/71/49/1076187149.db2.gz WUWGZNBCSMZPBF-UHFFFAOYSA-N 0 1 390.448 -1.045 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n(C)c1=O ZINC001592553732 1076187478 /nfs/dbraw/zinc/18/74/78/1076187478.db2.gz XCAJUDSYFUHVFQ-LLVKDONJSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n(C)c1=O ZINC001592553732 1076187477 /nfs/dbraw/zinc/18/74/77/1076187477.db2.gz XCAJUDSYFUHVFQ-LLVKDONJSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n(C)c1=O ZINC001592553732 1076187475 /nfs/dbraw/zinc/18/74/75/1076187475.db2.gz XCAJUDSYFUHVFQ-LLVKDONJSA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n(C)c1=O ZINC001592553734 1076187508 /nfs/dbraw/zinc/18/75/08/1076187508.db2.gz XCAJUDSYFUHVFQ-NSHDSACASA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n(C)c1=O ZINC001592553734 1076187504 /nfs/dbraw/zinc/18/75/04/1076187504.db2.gz XCAJUDSYFUHVFQ-NSHDSACASA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n(C)c1=O ZINC001592553734 1076187502 /nfs/dbraw/zinc/18/75/02/1076187502.db2.gz XCAJUDSYFUHVFQ-NSHDSACASA-N 0 1 376.421 -1.701 20 0 GAADMN Cn1c(NCCC[N@H+]2CCC[C@H]2C(N)=O)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC001592555676 1076187564 /nfs/dbraw/zinc/18/75/64/1076187564.db2.gz PRJBJJNOQRXUNR-VIFPVBQESA-N 0 1 377.409 -1.984 20 0 GAADMN Cn1cc(-n2cc(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)ccc2=O)cn1 ZINC001592563517 1076188153 /nfs/dbraw/zinc/18/81/53/1076188153.db2.gz QMKFQUBZWZXGPY-UHFFFAOYSA-N 0 1 381.360 -1.227 20 0 GAADMN Cn1cc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c(=O)[nH]c1=O ZINC001592564674 1076188651 /nfs/dbraw/zinc/18/86/51/1076188651.db2.gz FDKFCIALDVGSKR-UHFFFAOYSA-N 0 1 384.360 -1.582 20 0 GAADMN CN1CC(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)=NC1=O ZINC001592564960 1076188784 /nfs/dbraw/zinc/18/87/84/1076188784.db2.gz BEYXAOCPXLNGOY-KOLCDFICSA-N 0 1 389.351 -1.181 20 0 GAADMN Cn1cc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c(=O)[nH]c1=O ZINC001592564985 1076188578 /nfs/dbraw/zinc/18/85/78/1076188578.db2.gz GIOHOHWBFPJVJE-KYZUINATSA-N 0 1 383.372 -1.144 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n(C)c1=O ZINC001592565013 1076188752 /nfs/dbraw/zinc/18/87/52/1076188752.db2.gz NOCARMROZVWJEI-HIFRSBDPSA-N 0 1 398.427 -1.121 20 0 GAADMN Cn1cc(C(=O)NCCCNc2ccnc(-c3nn[nH]n3)n2)c(=O)n(C)c1=O ZINC001592565103 1076188636 /nfs/dbraw/zinc/18/86/36/1076188636.db2.gz BKRATEWWAVMNSN-UHFFFAOYSA-N 0 1 386.376 -2.292 20 0 GAADMN Cn1cc(C(=O)NC/C=C\CNc2ccncc2-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001592565238 1076188594 /nfs/dbraw/zinc/18/85/94/1076188594.db2.gz KCTDFCWCKUPGFX-IHWYPQMZSA-N 0 1 383.372 -1.119 20 0 GAADMN Cn1cc(C(=O)NC/C=C/CNc2ccncc2-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001592565239 1076188537 /nfs/dbraw/zinc/18/85/37/1076188537.db2.gz KCTDFCWCKUPGFX-NSCUHMNNSA-N 0 1 383.372 -1.119 20 0 GAADMN Cn1cc(C(=O)NCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c(=O)n(C)c1=O ZINC001592565268 1076188680 /nfs/dbraw/zinc/18/86/80/1076188680.db2.gz LRGOKBHEUUVGPF-UHFFFAOYSA-N 0 1 390.429 -1.155 20 0 GAADMN Cn1cc(C(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c(=O)n(C)c1=O ZINC001592565268 1076188674 /nfs/dbraw/zinc/18/86/74/1076188674.db2.gz LRGOKBHEUUVGPF-UHFFFAOYSA-N 0 1 390.429 -1.155 20 0 GAADMN Cn1cc(C(=O)NCCCNc2ccncc2-c2nn[nH]n2)c(=O)n(C)c1=O ZINC001592565650 1076189306 /nfs/dbraw/zinc/18/93/06/1076189306.db2.gz YHRFUDPRVCKRMT-UHFFFAOYSA-N 0 1 385.388 -1.687 20 0 GAADMN Cn1cc(CN2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)c(=O)n(C)c1=O ZINC001592571411 1076189239 /nfs/dbraw/zinc/18/92/39/1076189239.db2.gz FPXVIOMAYYRSTI-UHFFFAOYSA-N 0 1 383.416 -1.019 20 0 GAADMN Cn1cc(CN2CCN(c3cnccc3-c3nn[nH]n3)CC2)c(=O)n(C)c1=O ZINC001592571526 1076189374 /nfs/dbraw/zinc/18/93/74/1076189374.db2.gz IIXUFZIPMFBSSH-UHFFFAOYSA-N 0 1 383.416 -1.019 20 0 GAADMN Cn1cc(N2CC[C@H](NC(=O)NCCn3cnc(-c4nn[nH]n4)n3)C2=O)cn1 ZINC001592575629 1076189805 /nfs/dbraw/zinc/18/98/05/1076189805.db2.gz IPXJXFRYCLIEGS-JTQLQIEISA-N 0 1 386.380 -1.704 20 0 GAADMN Cn1cc(N2CC[C@@H](NC(=O)NCCn3cnc(-c4nn[nH]n4)n3)C2=O)cn1 ZINC001592575632 1076189731 /nfs/dbraw/zinc/18/97/31/1076189731.db2.gz IPXJXFRYCLIEGS-SNVBAGLBSA-N 0 1 386.380 -1.704 20 0 GAADMN Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001592577188 1076190219 /nfs/dbraw/zinc/19/02/19/1076190219.db2.gz WGGJEKWLKGBMEE-GXTWGEPZSA-N 0 1 396.415 -1.301 20 0 GAADMN Cn1ccc(C(=O)N2CCC[C@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001592577249 1076190265 /nfs/dbraw/zinc/19/02/65/1076190265.db2.gz ANPDIDAMISPUTK-INIZCTEOSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1ccc(C(=O)N2CCC[C@@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001592577250 1076190256 /nfs/dbraw/zinc/19/02/56/1076190256.db2.gz ANPDIDAMISPUTK-MRXNPFEDSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1ccc(=O)n(CCCNS(=O)(=O)c2cccnc2-c2nn[nH]n2)c1=O ZINC001592578385 1076190169 /nfs/dbraw/zinc/19/01/69/1076190169.db2.gz ZRAZOFXVXRKTGW-UHFFFAOYSA-N 0 1 392.401 -1.509 20 0 GAADMN Cn1ccc(CC(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001592579396 1076190310 /nfs/dbraw/zinc/19/03/10/1076190310.db2.gz VIRCHXMYXMNJJG-GFCCVEGCSA-N 0 1 384.404 -1.306 20 0 GAADMN Cn1ccc(CC(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001592579398 1076190205 /nfs/dbraw/zinc/19/02/05/1076190205.db2.gz VIRCHXMYXMNJJG-LBPRGKRZSA-N 0 1 384.404 -1.306 20 0 GAADMN Cn1cncc1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592589421 1076191632 /nfs/dbraw/zinc/19/16/32/1076191632.db2.gz KMRIZVBGYMVIKF-INIZCTEOSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cncc1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592589423 1076191673 /nfs/dbraw/zinc/19/16/73/1076191673.db2.gz KMRIZVBGYMVIKF-MRXNPFEDSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001592591273 1076192310 /nfs/dbraw/zinc/19/23/10/1076192310.db2.gz APXPPILBYQXIKS-JTQLQIEISA-N 0 1 385.392 -2.066 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1=O ZINC001592591274 1076192349 /nfs/dbraw/zinc/19/23/49/1076192349.db2.gz APXPPILBYQXIKS-SNVBAGLBSA-N 0 1 385.392 -2.066 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)c1=O ZINC001592591276 1076192546 /nfs/dbraw/zinc/19/25/46/1076192546.db2.gz BBOXVQWGBAVUDI-KGLIPLIRSA-N 0 1 399.415 -1.877 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)c1=O ZINC001592591277 1076192322 /nfs/dbraw/zinc/19/23/22/1076192322.db2.gz BBOXVQWGBAVUDI-ZIAGYGMSSA-N 0 1 399.415 -1.877 20 0 GAADMN Cn1cnn(CC(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1=O ZINC001592591399 1076192331 /nfs/dbraw/zinc/19/23/31/1076192331.db2.gz GMIXWKKJVOOQKK-WDEREUQCSA-N 0 1 397.403 -1.711 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)c1=O ZINC001592591434 1076192978 /nfs/dbraw/zinc/19/29/78/1076192978.db2.gz HROFVSFLVNSKBQ-ZIAGYGMSSA-N 0 1 399.415 -1.877 20 0 GAADMN Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)c1=O ZINC001592591654 1076192983 /nfs/dbraw/zinc/19/29/83/1076192983.db2.gz QSRNYIIGRAVKAY-GHMZBOCLSA-N 0 1 399.419 -1.487 20 0 GAADMN Cn1nc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)ccc1=O ZINC001592591956 1076193452 /nfs/dbraw/zinc/19/34/52/1076193452.db2.gz BIUHTWUSWJUSIQ-UHFFFAOYSA-N 0 1 382.388 -1.111 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)ccc1=O ZINC001592593203 1076193322 /nfs/dbraw/zinc/19/33/22/1076193322.db2.gz LWFLKHAWGISGBM-HUUCEWRRSA-N 0 1 396.411 -1.065 20 0 GAADMN Cn1nc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)ccc1=O ZINC001592593328 1076193268 /nfs/dbraw/zinc/19/32/68/1076193268.db2.gz ODNFCJQLFZLCIK-MGCOHNPYSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)ccc1=O ZINC001592593803 1076193196 /nfs/dbraw/zinc/19/31/96/1076193196.db2.gz ZRIRBHZTNZXXIB-HUUCEWRRSA-N 0 1 396.411 -1.065 20 0 GAADMN Cn1ncc(NC(=O)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1C(F)(F)F ZINC001592601144 1076193813 /nfs/dbraw/zinc/19/38/13/1076193813.db2.gz QULJCVQRSIHDJL-UHFFFAOYSA-N 0 1 399.297 -1.035 20 0 GAADMN Cn1ncc2c1ncnc2N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001592601938 1076194484 /nfs/dbraw/zinc/19/44/84/1076194484.db2.gz DIFNVOZXANPEPM-UHFFFAOYSA-N 0 1 395.391 -1.516 20 0 GAADMN Cn1ncc2cc(S(=O)(=O)NCCn3cnc(-c4nn[nH]n4)n3)cnc21 ZINC001592603130 1076194224 /nfs/dbraw/zinc/19/42/24/1076194224.db2.gz IVLLPLXAFCHDDG-UHFFFAOYSA-N 0 1 375.378 -1.282 20 0 GAADMN Cn1nnc(C(=O)N(CCO)CCNCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001592608078 1076194931 /nfs/dbraw/zinc/19/49/31/1076194931.db2.gz DNWCPIWCPOYWLV-UHFFFAOYSA-N 0 1 390.383 -1.246 20 0 GAADMN Cn1nnc(C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592608223 1076194845 /nfs/dbraw/zinc/19/48/45/1076194845.db2.gz QIIFUAFLLXBGLO-UHFFFAOYSA-N 0 1 378.422 -1.324 20 0 GAADMN Cn1nnc(C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001592608223 1076194837 /nfs/dbraw/zinc/19/48/37/1076194837.db2.gz QIIFUAFLLXBGLO-UHFFFAOYSA-N 0 1 378.422 -1.324 20 0 GAADMN Cn1nnc2cc(C(=O)NCCCNc3ccnc(-c4nn[nH]n4)n3)cnc21 ZINC001592610002 1076195311 /nfs/dbraw/zinc/19/53/11/1076195311.db2.gz GOLNOKMINVJICV-UHFFFAOYSA-N 0 1 380.376 -1.013 20 0 GAADMN NC(=O)C(=O)N1CCC2(CO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001592710920 1076196630 /nfs/dbraw/zinc/19/66/30/1076196630.db2.gz BHUIZKVEECASDR-JTQLQIEISA-N 0 1 387.404 -1.627 20 0 GAADMN NC(=O)C(=O)N1CCC2(CO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001592710922 1076196647 /nfs/dbraw/zinc/19/66/47/1076196647.db2.gz BHUIZKVEECASDR-SNVBAGLBSA-N 0 1 387.404 -1.627 20 0 GAADMN NC(=O)C(=O)N1CCC2(CO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001592711197 1076197118 /nfs/dbraw/zinc/19/71/18/1076197118.db2.gz LWCDVGJZUVVKBW-LLVKDONJSA-N 0 1 386.416 -1.022 20 0 GAADMN NC(=O)C(=O)N1CCC2(CO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001592711198 1076197208 /nfs/dbraw/zinc/19/72/08/1076197208.db2.gz LWCDVGJZUVVKBW-NSHDSACASA-N 0 1 386.416 -1.022 20 0 GAADMN NC(=O)C(=O)NCCCCC[NH+]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592712743 1076197524 /nfs/dbraw/zinc/19/75/24/1076197524.db2.gz HRILRIYSEOACCK-UHFFFAOYSA-N 0 1 388.436 -1.450 20 0 GAADMN NC(=O)C(=O)NCCCCC[NH+]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592712743 1076197522 /nfs/dbraw/zinc/19/75/22/1076197522.db2.gz HRILRIYSEOACCK-UHFFFAOYSA-N 0 1 388.436 -1.450 20 0 GAADMN NC(=O)C(=O)NCCCCC[NH+]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592712981 1076197652 /nfs/dbraw/zinc/19/76/52/1076197652.db2.gz MIPLWBXBUUWXMO-UHFFFAOYSA-N 0 1 388.436 -1.450 20 0 GAADMN NC(=O)C(=O)NC1(CO)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001592713702 1076198176 /nfs/dbraw/zinc/19/81/76/1076198176.db2.gz ABDVUEHFJCZMIX-UHFFFAOYSA-N 0 1 377.380 -1.066 20 0 GAADMN NC(=O)C(=O)N1CCC[C@](CO)(NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001592714231 1076198045 /nfs/dbraw/zinc/19/80/45/1076198045.db2.gz JSWRXDMMAABTPY-INIZCTEOSA-N 0 1 377.380 -1.066 20 0 GAADMN NC(=O)C(=O)N1CCC[C@@](CO)(NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001592714232 1076198188 /nfs/dbraw/zinc/19/81/88/1076198188.db2.gz JSWRXDMMAABTPY-MRXNPFEDSA-N 0 1 377.380 -1.066 20 0 GAADMN NC(=O)C(=O)N1CCN(c2ccncc2-c2nn[nH]n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001592714236 1076198073 /nfs/dbraw/zinc/19/80/73/1076198073.db2.gz JWWBFYMHFSPBMT-WDEREUQCSA-N 0 1 392.401 -2.439 20 0 GAADMN NC(=O)C(=O)N1CCOC2(CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001592714326 1076198401 /nfs/dbraw/zinc/19/84/01/1076198401.db2.gz LBVUKKJJWZIZLB-UHFFFAOYSA-N 0 1 387.404 -1.484 20 0 GAADMN NC(=O)C(=O)NC1(CO)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001592714331 1076198487 /nfs/dbraw/zinc/19/84/87/1076198487.db2.gz LFLCXALRSHYFII-UHFFFAOYSA-N 0 1 377.380 -1.066 20 0 GAADMN NC(=O)C(=O)N1CCc2sc(CNc3ccnc(-c4nn[nH]n4)n3)nc2C1 ZINC001592714734 1076198452 /nfs/dbraw/zinc/19/84/52/1076198452.db2.gz RSTDOWDFBRQEAB-UHFFFAOYSA-N 0 1 386.401 -1.483 20 0 GAADMN NC(=O)C(=O)NC1(CO)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001592715566 1076198525 /nfs/dbraw/zinc/19/85/25/1076198525.db2.gz XSWMYLMLYPGWJV-UHFFFAOYSA-N 0 1 377.380 -1.066 20 0 GAADMN NC(=O)C1(C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001592718483 1076199524 /nfs/dbraw/zinc/19/95/24/1076199524.db2.gz QBCGSVSRWCAZRV-UHFFFAOYSA-N 0 1 386.420 -1.840 20 0 GAADMN NC(=O)CC(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592720097 1076200013 /nfs/dbraw/zinc/20/00/13/1076200013.db2.gz AICYOUIWVZECCS-JTQLQIEISA-N 0 1 375.393 -1.678 20 0 GAADMN NC(=O)CC(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592720100 1076200035 /nfs/dbraw/zinc/20/00/35/1076200035.db2.gz AICYOUIWVZECCS-SNVBAGLBSA-N 0 1 375.393 -1.678 20 0 GAADMN NC(=O)CC(=O)N1CCOC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001592722430 1076200032 /nfs/dbraw/zinc/20/00/32/1076200032.db2.gz SMZJAIRQINPMPX-UHFFFAOYSA-N 0 1 387.404 -1.270 20 0 GAADMN NC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592723289 1076200505 /nfs/dbraw/zinc/20/05/05/1076200505.db2.gz XSPSCWBNOSUEDB-RNFRBKRXSA-N 0 1 385.310 -1.245 20 0 GAADMN NC(=O)CC(=O)N1CCC(OCCCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592723543 1076200427 /nfs/dbraw/zinc/20/04/27/1076200427.db2.gz FSEUPTPIJADNGA-UHFFFAOYSA-N 0 1 389.420 -1.236 20 0 GAADMN NC(=O)CC(=O)NC[C@]1(O)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001592725122 1076200812 /nfs/dbraw/zinc/20/08/12/1076200812.db2.gz KAHLGJBSVWJMNT-GFCCVEGCSA-N 0 1 386.825 -1.091 20 0 GAADMN NC(=O)CC(=O)NC[C@@]1(O)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001592725123 1076200768 /nfs/dbraw/zinc/20/07/68/1076200768.db2.gz KAHLGJBSVWJMNT-LBPRGKRZSA-N 0 1 386.825 -1.091 20 0 GAADMN NC(=O)CCCCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592727693 1076201319 /nfs/dbraw/zinc/20/13/19/1076201319.db2.gz ZXJVWQUWXDHPFC-LLVKDONJSA-N 0 1 389.420 -1.236 20 0 GAADMN NC(=O)CCCCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592727694 1076201204 /nfs/dbraw/zinc/20/12/04/1076201204.db2.gz ZXJVWQUWXDHPFC-NSHDSACASA-N 0 1 389.420 -1.236 20 0 GAADMN NC(=O)Cn1cc(C(=O)NCCNCc2cc(-c3nn[nH]n3)ccc2F)nn1 ZINC001592729653 1076201879 /nfs/dbraw/zinc/20/18/79/1076201879.db2.gz GUEZCWQUFXCBEE-UHFFFAOYSA-N 0 1 388.367 -1.398 20 0 GAADMN NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001592730683 1076201864 /nfs/dbraw/zinc/20/18/64/1076201864.db2.gz RKOXQISLZNFSIX-UHFFFAOYSA-N 0 1 376.406 -1.475 20 0 GAADMN NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)nn1 ZINC001592730683 1076201860 /nfs/dbraw/zinc/20/18/60/1076201860.db2.gz RKOXQISLZNFSIX-UHFFFAOYSA-N 0 1 376.406 -1.475 20 0 GAADMN NC(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001592730705 1076201703 /nfs/dbraw/zinc/20/17/03/1076201703.db2.gz SYYOGIYKBUEGMV-UHFFFAOYSA-N 0 1 390.433 -1.085 20 0 GAADMN NC(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)nn1 ZINC001592730705 1076201700 /nfs/dbraw/zinc/20/17/00/1076201700.db2.gz SYYOGIYKBUEGMV-UHFFFAOYSA-N 0 1 390.433 -1.085 20 0 GAADMN NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592731088 1076202348 /nfs/dbraw/zinc/20/23/48/1076202348.db2.gz GBJYIPDMDRQRBP-AXFHLTTASA-N 0 1 386.420 -1.072 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001592732376 1076202292 /nfs/dbraw/zinc/20/22/92/1076202292.db2.gz JVIXOLUVJZYDMV-UCROKIRRSA-N 0 1 398.836 -1.236 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001592732395 1076202304 /nfs/dbraw/zinc/20/23/04/1076202304.db2.gz FVQFQEYFLMLNLH-GARJFASQSA-N 0 1 387.404 -1.628 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001592732396 1076202166 /nfs/dbraw/zinc/20/21/66/1076202166.db2.gz FVQFQEYFLMLNLH-OUAUKWLOSA-N 0 1 387.404 -1.628 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)O1 ZINC001592732450 1076202228 /nfs/dbraw/zinc/20/22/28/1076202228.db2.gz BANCPHXWGHJTAC-WHOHXGKFSA-N 0 1 399.415 -1.273 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)O1 ZINC001592732459 1076202256 /nfs/dbraw/zinc/20/22/56/1076202256.db2.gz CJHHCNYXXYXAIB-WTPMCQDGSA-N 0 1 399.415 -1.085 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001592733071 1076203016 /nfs/dbraw/zinc/20/30/16/1076203016.db2.gz VDPMEFAZLVYDND-MNOVXSKESA-N 0 1 379.446 -1.040 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001592733071 1076203013 /nfs/dbraw/zinc/20/30/13/1076203013.db2.gz VDPMEFAZLVYDND-MNOVXSKESA-N 0 1 379.446 -1.040 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NCC2=CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)O1 ZINC001592733363 1076203101 /nfs/dbraw/zinc/20/31/01/1076203101.db2.gz RHFQAJCRGOQLCC-NWDGAFQWSA-N 0 1 399.415 -1.058 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)O1 ZINC001592733434 1076203084 /nfs/dbraw/zinc/20/30/84/1076203084.db2.gz WOGBYXRBBKZLIN-WHOHXGKFSA-N 0 1 399.415 -1.416 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001592733458 1076203063 /nfs/dbraw/zinc/20/30/63/1076203063.db2.gz XOEAIIFDEVWGDX-GARJFASQSA-N 0 1 387.404 -1.368 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001592733466 1076203031 /nfs/dbraw/zinc/20/30/31/1076203031.db2.gz XOEAIIFDEVWGDX-OUAUKWLOSA-N 0 1 387.404 -1.368 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)O1 ZINC001592733478 1076203004 /nfs/dbraw/zinc/20/30/04/1076203004.db2.gz XVZDFWGMGGIIFA-DVVUODLYSA-N 0 1 395.445 -1.472 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)O1 ZINC001592733480 1076203068 /nfs/dbraw/zinc/20/30/68/1076203068.db2.gz XVZDFWGMGGIIFA-INTQDDNPSA-N 0 1 395.445 -1.472 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)O1 ZINC001592733544 1076203076 /nfs/dbraw/zinc/20/30/76/1076203076.db2.gz ZXWOVPHFYXHQDK-DVVUODLYSA-N 0 1 395.445 -1.472 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)O1 ZINC001592733544 1076203073 /nfs/dbraw/zinc/20/30/73/1076203073.db2.gz ZXWOVPHFYXHQDK-DVVUODLYSA-N 0 1 395.445 -1.472 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)O1 ZINC001592733547 1076202994 /nfs/dbraw/zinc/20/29/94/1076202994.db2.gz ZXWOVPHFYXHQDK-INTQDDNPSA-N 0 1 395.445 -1.472 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)O1 ZINC001592733547 1076202990 /nfs/dbraw/zinc/20/29/90/1076202990.db2.gz ZXWOVPHFYXHQDK-INTQDDNPSA-N 0 1 395.445 -1.472 20 0 GAADMN NC(=O)c1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)nc1 ZINC001592735874 1076203373 /nfs/dbraw/zinc/20/33/73/1076203373.db2.gz LQPHYWGKBPMRSC-UHFFFAOYSA-N 0 1 383.376 -1.699 20 0 GAADMN NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC001592737364 1076203609 /nfs/dbraw/zinc/20/36/09/1076203609.db2.gz DEACEUAFTHXURI-JTQLQIEISA-N 0 1 382.388 -1.048 20 0 GAADMN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC001592737365 1076203591 /nfs/dbraw/zinc/20/35/91/1076203591.db2.gz DEACEUAFTHXURI-SNVBAGLBSA-N 0 1 382.388 -1.048 20 0 GAADMN NC(=O)c1cn(C2CN(S(=O)(=O)c3ccsc3-c3nn[nH]n3)C2)nn1 ZINC001592737632 1076203656 /nfs/dbraw/zinc/20/36/56/1076203656.db2.gz KBHQYRHPNMWZIZ-UHFFFAOYSA-N 0 1 381.403 -1.136 20 0 GAADMN NC(=O)c1cccnc1N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001592737971 1076203498 /nfs/dbraw/zinc/20/34/98/1076203498.db2.gz UQUVHKRQFHHYTE-UHFFFAOYSA-N 0 1 383.376 -1.699 20 0 GAADMN NC(=O)c1ncn(CC(=O)NCCNCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001592738908 1076203623 /nfs/dbraw/zinc/20/36/23/1076203623.db2.gz YKJDKZLLUABRBA-UHFFFAOYSA-N 0 1 388.367 -1.398 20 0 GAADMN NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592739007 1076203577 /nfs/dbraw/zinc/20/35/77/1076203577.db2.gz ZDGDMBJENVUJOO-UHFFFAOYSA-N 0 1 390.433 -1.085 20 0 GAADMN NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001592739007 1076203571 /nfs/dbraw/zinc/20/35/71/1076203571.db2.gz ZDGDMBJENVUJOO-UHFFFAOYSA-N 0 1 390.433 -1.085 20 0 GAADMN [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001592739381 1076203447 /nfs/dbraw/zinc/20/34/47/1076203447.db2.gz AULSUZIDHAWRMN-CYBMUJFWSA-N 0 1 385.432 -1.236 20 0 GAADMN [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001592739381 1076203440 /nfs/dbraw/zinc/20/34/40/1076203440.db2.gz AULSUZIDHAWRMN-CYBMUJFWSA-N 0 1 385.432 -1.236 20 0 GAADMN [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001592739382 1076203642 /nfs/dbraw/zinc/20/36/42/1076203642.db2.gz AULSUZIDHAWRMN-ZDUSSCGKSA-N 0 1 385.432 -1.236 20 0 GAADMN [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001592739382 1076203633 /nfs/dbraw/zinc/20/36/33/1076203633.db2.gz AULSUZIDHAWRMN-ZDUSSCGKSA-N 0 1 385.432 -1.236 20 0 GAADMN [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001592745128 1076204066 /nfs/dbraw/zinc/20/40/66/1076204066.db2.gz RLKQNBZBFKENJN-JTQLQIEISA-N 0 1 380.434 -1.263 20 0 GAADMN [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001592745131 1076204076 /nfs/dbraw/zinc/20/40/76/1076204076.db2.gz RLKQNBZBFKENJN-SNVBAGLBSA-N 0 1 380.434 -1.263 20 0 GAADMN NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 ZINC001592746612 1076203982 /nfs/dbraw/zinc/20/39/82/1076203982.db2.gz NJFFALDWQYGWKX-UHFFFAOYSA-N 0 1 391.435 -1.946 20 0 GAADMN N[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC[C@H]1F ZINC001592747962 1076204265 /nfs/dbraw/zinc/20/42/65/1076204265.db2.gz GFICQRJFJLEMAU-GHMZBOCLSA-N 0 1 377.384 -1.313 20 0 GAADMN NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cn1cnc(-c3nn[nH]n3)n1)CC2 ZINC001592748579 1076204952 /nfs/dbraw/zinc/20/49/52/1076204952.db2.gz PQZOGYITSOLXND-UHFFFAOYSA-N 0 1 375.374 -1.305 20 0 GAADMN NS(=O)(=O)c1ccc(N2CCN(Cc3nnc[nH]3)CC2)c(-c2nn[nH]n2)c1 ZINC001592751485 1076204913 /nfs/dbraw/zinc/20/49/13/1076204913.db2.gz CZDFVUMNYGWNBF-UHFFFAOYSA-N 0 1 390.433 -1.046 20 0 GAADMN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001592766658 1076205245 /nfs/dbraw/zinc/20/52/45/1076205245.db2.gz IGBIIOFBWWWXPK-QWHCGFSZSA-N 0 1 383.412 -1.014 20 0 GAADMN O=C(C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001592766707 1076205318 /nfs/dbraw/zinc/20/53/18/1076205318.db2.gz IZMLZJJUFZMMCG-RYUDHWBXSA-N 0 1 383.416 -1.517 20 0 GAADMN O=C(C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001592766707 1076205315 /nfs/dbraw/zinc/20/53/15/1076205315.db2.gz IZMLZJJUFZMMCG-RYUDHWBXSA-N 0 1 383.416 -1.517 20 0 GAADMN O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592767459 1076205618 /nfs/dbraw/zinc/20/56/18/1076205618.db2.gz BHJFQDCDOXEABG-BETUJISGSA-N 0 1 397.443 -1.127 20 0 GAADMN O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592767459 1076205614 /nfs/dbraw/zinc/20/56/14/1076205614.db2.gz BHJFQDCDOXEABG-BETUJISGSA-N 0 1 397.443 -1.127 20 0 GAADMN O=C(C1CCCC1)N1CC(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001592779392 1076206366 /nfs/dbraw/zinc/20/63/66/1076206366.db2.gz MPXLVKHTSDRQDY-UHFFFAOYSA-N 0 1 395.449 -1.221 20 0 GAADMN O=C([C@@H]1CCCS1(=O)=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592782602 1076206535 /nfs/dbraw/zinc/20/65/35/1076206535.db2.gz CYOSXGMTMJDWFK-JTQLQIEISA-N 0 1 378.418 -1.118 20 0 GAADMN O=C([C@H]1CCCS1(=O)=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592782603 1076206354 /nfs/dbraw/zinc/20/63/54/1076206354.db2.gz CYOSXGMTMJDWFK-SNVBAGLBSA-N 0 1 378.418 -1.118 20 0 GAADMN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592782872 1076206439 /nfs/dbraw/zinc/20/64/39/1076206439.db2.gz NJVJEYRNYPSFNU-UWVGGRQHSA-N 0 1 378.418 -1.331 20 0 GAADMN O=C([C@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592782874 1076206421 /nfs/dbraw/zinc/20/64/21/1076206421.db2.gz NJVJEYRNYPSFNU-VHSXEESVSA-N 0 1 378.418 -1.331 20 0 GAADMN O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001592785523 1076206554 /nfs/dbraw/zinc/20/65/54/1076206554.db2.gz CRJACAIYLYFZIC-GFCCVEGCSA-N 0 1 387.404 -2.098 20 0 GAADMN O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001592785523 1076206549 /nfs/dbraw/zinc/20/65/49/1076206549.db2.gz CRJACAIYLYFZIC-GFCCVEGCSA-N 0 1 387.404 -2.098 20 0 GAADMN O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001592785523 1076206543 /nfs/dbraw/zinc/20/65/43/1076206543.db2.gz CRJACAIYLYFZIC-GFCCVEGCSA-N 0 1 387.404 -2.098 20 0 GAADMN O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001592785524 1076206460 /nfs/dbraw/zinc/20/64/60/1076206460.db2.gz CRJACAIYLYFZIC-LBPRGKRZSA-N 0 1 387.404 -2.098 20 0 GAADMN O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001592785524 1076206455 /nfs/dbraw/zinc/20/64/55/1076206455.db2.gz CRJACAIYLYFZIC-LBPRGKRZSA-N 0 1 387.404 -2.098 20 0 GAADMN O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001592785524 1076206452 /nfs/dbraw/zinc/20/64/52/1076206452.db2.gz CRJACAIYLYFZIC-LBPRGKRZSA-N 0 1 387.404 -2.098 20 0 GAADMN O=C([C@@H]1CCc2nncn2C1)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592785622 1076206578 /nfs/dbraw/zinc/20/65/78/1076206578.db2.gz IZJIMHITAPYKCY-GHMZBOCLSA-N 0 1 381.404 -1.055 20 0 GAADMN O=C([C@H]1CCc2nncn2C1)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592785624 1076206603 /nfs/dbraw/zinc/20/66/03/1076206603.db2.gz IZJIMHITAPYKCY-WDEREUQCSA-N 0 1 381.404 -1.055 20 0 GAADMN O=C([C@H]1CCS(=O)(=O)N1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592786380 1076206831 /nfs/dbraw/zinc/20/68/31/1076206831.db2.gz WUMXIKIEVCDMEH-SECBINFHSA-N 0 1 379.406 -2.003 20 0 GAADMN O=C([C@@H]1CCS(=O)(=O)N1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001592786381 1076206997 /nfs/dbraw/zinc/20/69/97/1076206997.db2.gz WUMXIKIEVCDMEH-VIFPVBQESA-N 0 1 379.406 -2.003 20 0 GAADMN O=C(C1CS(=O)(=O)C1)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592787284 1076206909 /nfs/dbraw/zinc/20/69/09/1076206909.db2.gz NGAHSOZIKJWBOT-JTQLQIEISA-N 0 1 377.430 -1.011 20 0 GAADMN O=C(C1CS(=O)(=O)C1)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001592787286 1076206798 /nfs/dbraw/zinc/20/67/98/1076206798.db2.gz NGAHSOZIKJWBOT-SNVBAGLBSA-N 0 1 377.430 -1.011 20 0 GAADMN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001592810048 1076207289 /nfs/dbraw/zinc/20/72/89/1076207289.db2.gz DTDIQDGHDQTPAT-NXEZZACHSA-N 0 1 385.388 -1.206 20 0 GAADMN O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001592810050 1076207274 /nfs/dbraw/zinc/20/72/74/1076207274.db2.gz DTDIQDGHDQTPAT-UWVGGRQHSA-N 0 1 385.388 -1.206 20 0 GAADMN O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001592810052 1076207245 /nfs/dbraw/zinc/20/72/45/1076207245.db2.gz DTDIQDGHDQTPAT-VHSXEESVSA-N 0 1 385.388 -1.206 20 0 GAADMN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001592810054 1076207326 /nfs/dbraw/zinc/20/73/26/1076207326.db2.gz DTDIQDGHDQTPAT-ZJUUUORDSA-N 0 1 385.388 -1.206 20 0 GAADMN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592810851 1076207471 /nfs/dbraw/zinc/20/74/71/1076207471.db2.gz PRGCMFVAPXHVIJ-BBBLOLIVSA-N 0 1 385.388 -1.562 20 0 GAADMN O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592810852 1076207396 /nfs/dbraw/zinc/20/73/96/1076207396.db2.gz PRGCMFVAPXHVIJ-LPEHRKFASA-N 0 1 385.388 -1.562 20 0 GAADMN O=C(C[C@@H]1CC(=O)NC1=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001592810868 1076207519 /nfs/dbraw/zinc/20/75/19/1076207519.db2.gz QEHIWQXIZZLKNY-SECBINFHSA-N 0 1 385.388 -1.206 20 0 GAADMN O=C(C[C@H]1CC(=O)NC1=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001592810869 1076207354 /nfs/dbraw/zinc/20/73/54/1076207354.db2.gz QEHIWQXIZZLKNY-VIFPVBQESA-N 0 1 385.388 -1.206 20 0 GAADMN O=C(C[C@@H]1CC(=O)NC1=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001592811304 1076207757 /nfs/dbraw/zinc/20/77/57/1076207757.db2.gz XDJQIBOQIYLNNR-SECBINFHSA-N 0 1 385.388 -1.418 20 0 GAADMN O=C(C[C@H]1CC(=O)NC1=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001592811305 1076207902 /nfs/dbraw/zinc/20/79/02/1076207902.db2.gz XDJQIBOQIYLNNR-VIFPVBQESA-N 0 1 385.388 -1.418 20 0 GAADMN O=C(C[C@@H]1CCCS1(=O)=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592823308 1076207853 /nfs/dbraw/zinc/20/78/53/1076207853.db2.gz ADDLAQHUHPYKHA-JTQLQIEISA-N 0 1 380.434 -1.036 20 0 GAADMN O=C(C[C@H]1CCCS1(=O)=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592823309 1076207839 /nfs/dbraw/zinc/20/78/39/1076207839.db2.gz ADDLAQHUHPYKHA-SNVBAGLBSA-N 0 1 380.434 -1.036 20 0 GAADMN O=C(C[C@@H]1CCCS(=O)(=O)C1)NCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592823705 1076207867 /nfs/dbraw/zinc/20/78/67/1076207867.db2.gz JYVLFORFXOTDLO-JTQLQIEISA-N 0 1 380.434 -1.178 20 0 GAADMN O=C(C[C@H]1CCCS(=O)(=O)C1)NCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592823706 1076207880 /nfs/dbraw/zinc/20/78/80/1076207880.db2.gz JYVLFORFXOTDLO-SNVBAGLBSA-N 0 1 380.434 -1.178 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592826541 1076207953 /nfs/dbraw/zinc/20/79/53/1076207953.db2.gz JTJMHGVABMERRE-JTQLQIEISA-N 0 1 378.418 -1.474 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001592826635 1076207970 /nfs/dbraw/zinc/20/79/70/1076207970.db2.gz PBJPLLDYOSFLQB-OWOJBTEDSA-N 0 1 378.418 -1.402 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001592826636 1076207892 /nfs/dbraw/zinc/20/78/92/1076207892.db2.gz PBJPLLDYOSFLQB-UPHRSURJSA-N 0 1 378.418 -1.402 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592826745 1076207944 /nfs/dbraw/zinc/20/79/44/1076207944.db2.gz VMPXDTREOBTMFI-UHFFFAOYSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001592828472 1076208420 /nfs/dbraw/zinc/20/84/20/1076208420.db2.gz XVYVJAOJLKSCHH-IWIIMEHWSA-N 0 1 390.429 -1.358 20 0 GAADMN O=C(CC1CS(=O)(=O)C1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001592828498 1076208187 /nfs/dbraw/zinc/20/81/87/1076208187.db2.gz 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/nfs/dbraw/zinc/21/78/40/1076217840.db2.gz NYZVPNICWGMDHN-UHFFFAOYSA-N 0 1 390.404 -1.548 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001592934765 1076218093 /nfs/dbraw/zinc/21/80/93/1076218093.db2.gz TXNRZKKDHHDNDO-NXEZZACHSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001592934765 1076218088 /nfs/dbraw/zinc/21/80/88/1076218088.db2.gz TXNRZKKDHHDNDO-NXEZZACHSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001592934765 1076218082 /nfs/dbraw/zinc/21/80/82/1076218082.db2.gz TXNRZKKDHHDNDO-NXEZZACHSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001592934774 1076217954 /nfs/dbraw/zinc/21/79/54/1076217954.db2.gz TXNRZKKDHHDNDO-UWVGGRQHSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001592934774 1076217951 /nfs/dbraw/zinc/21/79/51/1076217951.db2.gz TXNRZKKDHHDNDO-UWVGGRQHSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001592934774 1076217946 /nfs/dbraw/zinc/21/79/46/1076217946.db2.gz TXNRZKKDHHDNDO-UWVGGRQHSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001592934775 1076217898 /nfs/dbraw/zinc/21/78/98/1076217898.db2.gz TXNRZKKDHHDNDO-VHSXEESVSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001592934775 1076217897 /nfs/dbraw/zinc/21/78/97/1076217897.db2.gz TXNRZKKDHHDNDO-VHSXEESVSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001592934775 1076217894 /nfs/dbraw/zinc/21/78/94/1076217894.db2.gz TXNRZKKDHHDNDO-VHSXEESVSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001592934776 1076218036 /nfs/dbraw/zinc/21/80/36/1076218036.db2.gz TXNRZKKDHHDNDO-ZJUUUORDSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001592934776 1076218032 /nfs/dbraw/zinc/21/80/32/1076218032.db2.gz TXNRZKKDHHDNDO-ZJUUUORDSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001592934776 1076218028 /nfs/dbraw/zinc/21/80/28/1076218028.db2.gz TXNRZKKDHHDNDO-ZJUUUORDSA-N 0 1 376.377 -2.204 20 0 GAADMN O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001592937286 1076218878 /nfs/dbraw/zinc/21/88/78/1076218878.db2.gz ZMUHJOCYQOJZGM-NEPJUHHUSA-N 0 1 397.403 -1.509 20 0 GAADMN O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001592937420 1076218898 /nfs/dbraw/zinc/21/88/98/1076218898.db2.gz ZVEGVBYHBNIOGZ-SNVBAGLBSA-N 0 1 383.372 -1.341 20 0 GAADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001592940152 1076219394 /nfs/dbraw/zinc/21/93/94/1076219394.db2.gz QORFRGMXASZTFU-CYBMUJFWSA-N 0 1 390.452 -1.629 20 0 GAADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001592940152 1076219390 /nfs/dbraw/zinc/21/93/90/1076219390.db2.gz QORFRGMXASZTFU-CYBMUJFWSA-N 0 1 390.452 -1.629 20 0 GAADMN O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001592940152 1076219386 /nfs/dbraw/zinc/21/93/86/1076219386.db2.gz QORFRGMXASZTFU-CYBMUJFWSA-N 0 1 390.452 -1.629 20 0 GAADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001592940153 1076219187 /nfs/dbraw/zinc/21/91/87/1076219187.db2.gz QORFRGMXASZTFU-ZDUSSCGKSA-N 0 1 390.452 -1.629 20 0 GAADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001592940153 1076219182 /nfs/dbraw/zinc/21/91/82/1076219182.db2.gz QORFRGMXASZTFU-ZDUSSCGKSA-N 0 1 390.452 -1.629 20 0 GAADMN O=C(Cn1cnc(-c2nnn[n-]2)n1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001592940153 1076219176 /nfs/dbraw/zinc/21/91/76/1076219176.db2.gz QORFRGMXASZTFU-ZDUSSCGKSA-N 0 1 390.452 -1.629 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC001592940248 1076219328 /nfs/dbraw/zinc/21/93/28/1076219328.db2.gz UYWPDCWJUDOTRC-MRVPVSSYSA-N 0 1 398.430 -1.529 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC001592940249 1076219300 /nfs/dbraw/zinc/21/93/00/1076219300.db2.gz UYWPDCWJUDOTRC-QMMMGPOBSA-N 0 1 398.430 -1.529 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC001592940331 1076219270 /nfs/dbraw/zinc/21/92/70/1076219270.db2.gz ZRYDFAHWPXWIKY-MRVPVSSYSA-N 0 1 375.315 -1.163 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](N1CCOCC1)C(F)(F)F ZINC001592940332 1076219434 /nfs/dbraw/zinc/21/94/34/1076219434.db2.gz ZRYDFAHWPXWIKY-QMMMGPOBSA-N 0 1 375.315 -1.163 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001592941079 1076219352 /nfs/dbraw/zinc/21/93/52/1076219352.db2.gz RUNJRWKHQSUGOA-UHFFFAOYSA-N 0 1 396.371 -1.174 20 0 GAADMN O=C(Cn1cnnn1)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001592941252 1076219239 /nfs/dbraw/zinc/21/92/39/1076219239.db2.gz FWOBKLWIGPRLFV-UHFFFAOYSA-N 0 1 392.387 -1.006 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCN1CCN(c2ncccn2)CC1 ZINC001592941368 1076219290 /nfs/dbraw/zinc/21/92/90/1076219290.db2.gz ZPUCNUHVECLJQP-UHFFFAOYSA-N 0 1 384.408 -1.813 20 0 GAADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001592942009 1076219259 /nfs/dbraw/zinc/21/92/59/1076219259.db2.gz ZSTDHUYDCKXXNZ-UHFFFAOYSA-N 0 1 387.364 -1.848 20 0 GAADMN O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CC1 ZINC001592942060 1076219856 /nfs/dbraw/zinc/21/98/56/1076219856.db2.gz FSIQAUIRHVCUED-UHFFFAOYSA-N 0 1 384.360 -1.457 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592942127 1076219676 /nfs/dbraw/zinc/21/96/76/1076219676.db2.gz OUDDJZMANAEYJQ-GHMZBOCLSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592942128 1076219710 /nfs/dbraw/zinc/21/97/10/1076219710.db2.gz OUDDJZMANAEYJQ-MNOVXSKESA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592942129 1076219692 /nfs/dbraw/zinc/21/96/92/1076219692.db2.gz OUDDJZMANAEYJQ-QWRGUYRKSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1cnnn1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592942130 1076219791 /nfs/dbraw/zinc/21/97/91/1076219791.db2.gz OUDDJZMANAEYJQ-WDEREUQCSA-N 0 1 382.392 -1.229 20 0 GAADMN O=C(Cn1cnnn1)N(CCO)CCNCc1ccc(-c2nn[nH]n2)cc1F ZINC001592942149 1076219698 /nfs/dbraw/zinc/21/96/98/1076219698.db2.gz RYRFJAQXNBEFEQ-UHFFFAOYSA-N 0 1 390.383 -1.397 20 0 GAADMN O=C(Cn1nc2ccccn2c1=O)NCCNc1ccncc1-c1nn[nH]n1 ZINC001592942274 1076220161 /nfs/dbraw/zinc/22/01/61/1076220161.db2.gz DNHDJLWOOWXFFZ-UHFFFAOYSA-N 0 1 380.372 -1.279 20 0 GAADMN O=C(Cn1nc2n(c1=O)CCCC2)NCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592942357 1076220107 /nfs/dbraw/zinc/22/01/07/1076220107.db2.gz LZKBVDPGJQCXSJ-UHFFFAOYSA-N 0 1 385.392 -1.999 20 0 GAADMN O=C(Cn1nc2ccccn2c1=O)NCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001592942372 1076220122 /nfs/dbraw/zinc/22/01/22/1076220122.db2.gz MSSVZSFOAPIPNR-UHFFFAOYSA-N 0 1 381.360 -1.884 20 0 GAADMN O=C(Cn1ncnn1)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001592942405 1076220060 /nfs/dbraw/zinc/22/00/60/1076220060.db2.gz NZDOISACOJFHQF-HNNXBMFYSA-N 0 1 382.392 -1.228 20 0 GAADMN O=C(Cn1ncnn1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001592942407 1076220079 /nfs/dbraw/zinc/22/00/79/1076220079.db2.gz NZDOISACOJFHQF-OAHLLOKOSA-N 0 1 382.392 -1.228 20 0 GAADMN O=C(Cn1nc2n(c1=O)CCCC2)NCCNc1ccncc1-c1nn[nH]n1 ZINC001592942645 1076220015 /nfs/dbraw/zinc/22/00/15/1076220015.db2.gz RYKHKJYTKDFYBT-UHFFFAOYSA-N 0 1 384.404 -1.394 20 0 GAADMN O=C(Cn1ncn2nccc2c1=O)NCCNc1ccncc1-c1nn[nH]n1 ZINC001592942740 1076220026 /nfs/dbraw/zinc/22/00/26/1076220026.db2.gz WEDLJLHLDRWVPA-UHFFFAOYSA-N 0 1 381.360 -1.884 20 0 GAADMN O=C(Cn1ncnn1)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001592943603 1076220582 /nfs/dbraw/zinc/22/05/82/1076220582.db2.gz YVVKEPBSOHMXJG-UHFFFAOYSA-N 0 1 392.387 -1.006 20 0 GAADMN O=C(N[C@@]1(CO)CCCN(CCOCCO)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592958893 1076220871 /nfs/dbraw/zinc/22/08/71/1076220871.db2.gz KPHIHEWZJGKSMI-INIZCTEOSA-N 0 1 379.421 -1.240 20 0 GAADMN O=C(N[C@]1(CO)CCCN(CCOCCO)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592958895 1076221165 /nfs/dbraw/zinc/22/11/65/1076221165.db2.gz KPHIHEWZJGKSMI-MRXNPFEDSA-N 0 1 379.421 -1.240 20 0 GAADMN O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 ZINC001592966960 1076221082 /nfs/dbraw/zinc/22/10/82/1076221082.db2.gz HEORCECETBXJCW-UHFFFAOYSA-N 0 1 395.401 -1.429 20 0 GAADMN O=C(NC1CC1)N[C@H]1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001592967719 1076221180 /nfs/dbraw/zinc/22/11/80/1076221180.db2.gz RCJJVUBLRMMBHJ-JTQLQIEISA-N 0 1 375.397 -1.296 20 0 GAADMN O=C(NC1CC1)N[C@@H]1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001592967720 1076221215 /nfs/dbraw/zinc/22/12/15/1076221215.db2.gz RCJJVUBLRMMBHJ-SNVBAGLBSA-N 0 1 375.397 -1.296 20 0 GAADMN O=C(N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(=O)N1CCNCC1 ZINC001592980581 1076221154 /nfs/dbraw/zinc/22/11/54/1076221154.db2.gz HPJYKNBRTKHBDQ-AWEZNQCLSA-N 0 1 398.427 -1.090 20 0 GAADMN O=C(N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(=O)N1CCNCC1 ZINC001592980585 1076221120 /nfs/dbraw/zinc/22/11/20/1076221120.db2.gz HPJYKNBRTKHBDQ-CQSZACIVSA-N 0 1 398.427 -1.090 20 0 GAADMN O=C(N[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001592985909 1076221412 /nfs/dbraw/zinc/22/14/12/1076221412.db2.gz ALHLQDOLALCULV-LLVKDONJSA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(N[C@H]1CCN(CCCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001592985910 1076221504 /nfs/dbraw/zinc/22/15/04/1076221504.db2.gz ALHLQDOLALCULV-NSHDSACASA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(N[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592985972 1076221470 /nfs/dbraw/zinc/22/14/70/1076221470.db2.gz GPPKRKOVMYEIOO-LLVKDONJSA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(N[C@H]1CCN(CCCN2C(=O)CNC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592985973 1076221559 /nfs/dbraw/zinc/22/15/59/1076221559.db2.gz GPPKRKOVMYEIOO-NSHDSACASA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCCC2=O)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592986199 1076221459 /nfs/dbraw/zinc/22/14/59/1076221459.db2.gz OJHFOCBSYBZQQC-GXTWGEPZSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCCC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592986201 1076221399 /nfs/dbraw/zinc/22/13/99/1076221399.db2.gz OJHFOCBSYBZQQC-JSGCOSHPSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCCC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592986203 1076221377 /nfs/dbraw/zinc/22/13/77/1076221377.db2.gz OJHFOCBSYBZQQC-OCCSQVGLSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCCC2=O)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592986205 1076221354 /nfs/dbraw/zinc/22/13/54/1076221354.db2.gz OJHFOCBSYBZQQC-TZMCWYRMSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001592989984 1076221434 /nfs/dbraw/zinc/22/14/34/1076221434.db2.gz SNOGFYHLNSUBKV-AAEUAGOBSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001592989984 1076221428 /nfs/dbraw/zinc/22/14/28/1076221428.db2.gz SNOGFYHLNSUBKV-AAEUAGOBSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001592989986 1076221479 /nfs/dbraw/zinc/22/14/79/1076221479.db2.gz SNOGFYHLNSUBKV-DGCLKSJQSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001592989986 1076221477 /nfs/dbraw/zinc/22/14/77/1076221477.db2.gz SNOGFYHLNSUBKV-DGCLKSJQSA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001592989988 1076221449 /nfs/dbraw/zinc/22/14/49/1076221449.db2.gz SNOGFYHLNSUBKV-WCQYABFASA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001592989988 1076221445 /nfs/dbraw/zinc/22/14/45/1076221445.db2.gz SNOGFYHLNSUBKV-WCQYABFASA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001592989989 1076221531 /nfs/dbraw/zinc/22/15/31/1076221531.db2.gz SNOGFYHLNSUBKV-YPMHNXCESA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001592989989 1076221527 /nfs/dbraw/zinc/22/15/27/1076221527.db2.gz SNOGFYHLNSUBKV-YPMHNXCESA-N 0 1 385.432 -1.192 20 0 GAADMN O=C(NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CS(=O)(=O)C1 ZINC001592990439 1076221574 /nfs/dbraw/zinc/22/15/74/1076221574.db2.gz QYWJKQBDYVZLNK-UHFFFAOYSA-N 0 1 378.418 -1.214 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001592990763 1076221591 /nfs/dbraw/zinc/22/15/91/1076221591.db2.gz YVSKGUSVOBQUQP-BDAKNGLRSA-N 0 1 379.406 -1.957 20 0 GAADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001592990764 1076221495 /nfs/dbraw/zinc/22/14/95/1076221495.db2.gz YVSKGUSVOBQUQP-RKDXNWHRSA-N 0 1 379.406 -1.957 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cccn2ccnc12 ZINC001593007929 1076222705 /nfs/dbraw/zinc/22/27/05/1076222705.db2.gz FICSIVXXVRBVDN-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cccn2ccnc12 ZINC001593007930 1076222732 /nfs/dbraw/zinc/22/27/32/1076222732.db2.gz FICSIVXXVRBVDN-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn2ccncc12 ZINC001593007977 1076222716 /nfs/dbraw/zinc/22/27/16/1076222716.db2.gz KVPLKEDEPMVUQY-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cnn2ccncc12 ZINC001593007978 1076222893 /nfs/dbraw/zinc/22/28/93/1076222893.db2.gz KVPLKEDEPMVUQY-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnc2ccccn21 ZINC001593008049 1076222817 /nfs/dbraw/zinc/22/28/17/1076222817.db2.gz SYOKUNMXRWPLND-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnc2ccccn21 ZINC001593008050 1076222672 /nfs/dbraw/zinc/22/26/72/1076222672.db2.gz SYOKUNMXRWPLND-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cccc2ncnn21 ZINC001593008109 1076222682 /nfs/dbraw/zinc/22/26/82/1076222682.db2.gz ZKXDXSZETZXZLF-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1cccc2ncnn21 ZINC001593008110 1076222748 /nfs/dbraw/zinc/22/27/48/1076222748.db2.gz ZKXDXSZETZXZLF-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NCC(F)F)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001593008766 1076222769 /nfs/dbraw/zinc/22/27/69/1076222769.db2.gz BXUILZYUWFAPBM-QMMMGPOBSA-N 0 1 381.347 -1.137 20 0 GAADMN O=C(NCC(F)F)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001593009908 1076223182 /nfs/dbraw/zinc/22/31/82/1076223182.db2.gz VMADVFYAJKLGKT-MRVPVSSYSA-N 0 1 381.347 -1.020 20 0 GAADMN O=C(NCC(F)F)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001593009909 1076223156 /nfs/dbraw/zinc/22/31/56/1076223156.db2.gz VMADVFYAJKLGKT-QMMMGPOBSA-N 0 1 381.347 -1.020 20 0 GAADMN O=C(NCC(F)F)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001593010222 1076223092 /nfs/dbraw/zinc/22/30/92/1076223092.db2.gz CGHBUYWIEJEYCM-MTBHXBHISA-N 0 1 379.331 -1.411 20 0 GAADMN O=C(NCC(F)F)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001593010242 1076223202 /nfs/dbraw/zinc/22/32/02/1076223202.db2.gz DRZVUMVEZMCZEV-ZKCHVHJHSA-N 0 1 381.347 -1.233 20 0 GAADMN O=C(NCC(F)F)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001593010698 1076223685 /nfs/dbraw/zinc/22/36/85/1076223685.db2.gz QEXIRUKVTARBPR-RNFRBKRXSA-N 0 1 383.319 -2.296 20 0 GAADMN O=C(NCC(F)F)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001593010699 1076223745 /nfs/dbraw/zinc/22/37/45/1076223745.db2.gz QEXIRUKVTARBPR-RQJHMYQMSA-N 0 1 383.319 -2.296 20 0 GAADMN O=C(NCC(F)F)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001593010811 1076223674 /nfs/dbraw/zinc/22/36/74/1076223674.db2.gz VEGPDLBTDDLKKX-OCAPTIKFSA-N 0 1 381.347 -1.233 20 0 GAADMN O=C(NCC(F)F)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001593010814 1076223551 /nfs/dbraw/zinc/22/35/51/1076223551.db2.gz VEGPDLBTDDLKKX-ZKCHVHJHSA-N 0 1 381.347 -1.233 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccc2nccn21 ZINC001593013152 1076223619 /nfs/dbraw/zinc/22/36/19/1076223619.db2.gz DQTXTRSHLYJGNM-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccc2nccn21 ZINC001593013153 1076223632 /nfs/dbraw/zinc/22/36/32/1076223632.db2.gz DQTXTRSHLYJGNM-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccn2ccnc12 ZINC001593013154 1076223708 /nfs/dbraw/zinc/22/37/08/1076223708.db2.gz DVNFKTSUCDROIQ-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccn2ccnc12 ZINC001593013155 1076223735 /nfs/dbraw/zinc/22/37/35/1076223735.db2.gz DVNFKTSUCDROIQ-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cn2ccccc2n1 ZINC001593013276 1076223768 /nfs/dbraw/zinc/22/37/68/1076223768.db2.gz SBDHYQORLBUMSE-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cn2ccccc2n1 ZINC001593013277 1076223604 /nfs/dbraw/zinc/22/36/04/1076223604.db2.gz SBDHYQORLBUMSE-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cc2cccn2cn1 ZINC001593013278 1076223588 /nfs/dbraw/zinc/22/35/88/1076223588.db2.gz SIOJQPJAYMLCNA-LLVKDONJSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cc2cccn2cn1 ZINC001593013279 1076223697 /nfs/dbraw/zinc/22/36/97/1076223697.db2.gz SIOJQPJAYMLCNA-NSHDSACASA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccn2nccc12 ZINC001593013328 1076223720 /nfs/dbraw/zinc/22/37/20/1076223720.db2.gz YVNVWNIPJOHERP-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccn2nccc12 ZINC001593013329 1076223571 /nfs/dbraw/zinc/22/35/71/1076223571.db2.gz YVNVWNIPJOHERP-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn2ccccc12 ZINC001593013330 1076223938 /nfs/dbraw/zinc/22/39/38/1076223938.db2.gz YXJJZODFDDTRBX-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cnn2ccccc12 ZINC001593013331 1076224015 /nfs/dbraw/zinc/22/40/15/1076224015.db2.gz YXJJZODFDDTRBX-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn2ccncc12 ZINC001593013674 1076223983 /nfs/dbraw/zinc/22/39/83/1076223983.db2.gz RTWFVQDDKSCMBZ-JTQLQIEISA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnn2ccncc12 ZINC001593013675 1076223991 /nfs/dbraw/zinc/22/39/91/1076223991.db2.gz RTWFVQDDKSCMBZ-SNVBAGLBSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnc2nccn2c1 ZINC001593013708 1076224023 /nfs/dbraw/zinc/22/40/23/1076224023.db2.gz VTQYMMVMUOOHHI-LLVKDONJSA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cnc2nccn2c1 ZINC001593013709 1076224030 /nfs/dbraw/zinc/22/40/30/1076224030.db2.gz VTQYMMVMUOOHHI-NSHDSACASA-N 0 1 380.372 -1.071 20 0 GAADMN O=C(NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccc2nnnn2c1 ZINC001593018894 1076224111 /nfs/dbraw/zinc/22/41/11/1076224111.db2.gz YNLVXIFWIULEIS-UHFFFAOYSA-N 0 1 378.360 -1.109 20 0 GAADMN O=C(NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C1CS(=O)(=O)C1 ZINC001593023264 1076224453 /nfs/dbraw/zinc/22/44/53/1076224453.db2.gz KOQAFLDUJKULOJ-RTCCRHLQSA-N 0 1 390.429 -1.500 20 0 GAADMN O=C(NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CS(=O)(=O)C1 ZINC001593023858 1076224511 /nfs/dbraw/zinc/22/45/11/1076224511.db2.gz VQWHJULBHLQHBG-UHFFFAOYSA-N 0 1 390.429 -1.046 20 0 GAADMN O=C(NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC001593024684 1076224427 /nfs/dbraw/zinc/22/44/27/1076224427.db2.gz YYIRXLFEBJFRTR-OWUUHHOZSA-N 0 1 380.372 -1.148 20 0 GAADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001593026062 1076224466 /nfs/dbraw/zinc/22/44/66/1076224466.db2.gz CJIIQFXNSIOOMF-HSOILSAZSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001593026063 1076224483 /nfs/dbraw/zinc/22/44/83/1076224483.db2.gz CJIIQFXNSIOOMF-YVNMAJEFSA-N 0 1 392.445 -1.180 20 0 GAADMN O=C(NCC1CC1)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001593026621 1076224844 /nfs/dbraw/zinc/22/48/44/1076224844.db2.gz CXZBAQSRMOXMQE-GHMZBOCLSA-N 0 1 387.404 -1.761 20 0 GAADMN O=C(NCC1CC1)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001593026622 1076224826 /nfs/dbraw/zinc/22/48/26/1076224826.db2.gz CXZBAQSRMOXMQE-MNOVXSKESA-N 0 1 387.404 -1.761 20 0 GAADMN O=C(NCC1CC1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001593026623 1076224705 /nfs/dbraw/zinc/22/47/05/1076224705.db2.gz CXZBAQSRMOXMQE-QWRGUYRKSA-N 0 1 387.404 -1.761 20 0 GAADMN O=C(NCC1CC1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001593026624 1076224946 /nfs/dbraw/zinc/22/49/46/1076224946.db2.gz CXZBAQSRMOXMQE-WDEREUQCSA-N 0 1 387.404 -1.761 20 0 GAADMN O=C(NCC1CC1)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001593027649 1076225161 /nfs/dbraw/zinc/22/51/61/1076225161.db2.gz JLMMUQFTARBIPX-LLVKDONJSA-N 0 1 387.404 -1.496 20 0 GAADMN O=C(NCC1CC1)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001593027650 1076225260 /nfs/dbraw/zinc/22/52/60/1076225260.db2.gz JLMMUQFTARBIPX-NSHDSACASA-N 0 1 387.404 -1.496 20 0 GAADMN O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593034261 1076225288 /nfs/dbraw/zinc/22/52/88/1076225288.db2.gz OTWDMIZOOZJHNY-GFCCVEGCSA-N 0 1 385.432 -1.222 20 0 GAADMN O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593034261 1076225284 /nfs/dbraw/zinc/22/52/84/1076225284.db2.gz OTWDMIZOOZJHNY-GFCCVEGCSA-N 0 1 385.432 -1.222 20 0 GAADMN O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593034262 1076225236 /nfs/dbraw/zinc/22/52/36/1076225236.db2.gz OTWDMIZOOZJHNY-LBPRGKRZSA-N 0 1 385.432 -1.222 20 0 GAADMN O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593034262 1076225233 /nfs/dbraw/zinc/22/52/33/1076225233.db2.gz OTWDMIZOOZJHNY-LBPRGKRZSA-N 0 1 385.432 -1.222 20 0 GAADMN O=C(NC[C@H]1CCCN1CCN1C(=O)CNC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593035305 1076225152 /nfs/dbraw/zinc/22/51/52/1076225152.db2.gz HVYFGZSXFRJOFP-LLVKDONJSA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(NC[C@@H]1CCCN1CCN1C(=O)CNC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593035306 1076225705 /nfs/dbraw/zinc/22/57/05/1076225705.db2.gz HVYFGZSXFRJOFP-NSHDSACASA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(NCC1CN(CCCN2C(=O)CNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593043702 1076225640 /nfs/dbraw/zinc/22/56/40/1076225640.db2.gz BDBJXPUTQGWQBB-UHFFFAOYSA-N 0 1 387.404 -1.202 20 0 GAADMN O=C(NCC1C[NH2+]C1)C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001593048035 1076226681 /nfs/dbraw/zinc/22/66/81/1076226681.db2.gz DOYYQOMRVQYPEW-UHFFFAOYSA-N 0 1 376.446 -1.088 20 0 GAADMN O=C(NC[C@@H]1COCCN1)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593048066 1076226528 /nfs/dbraw/zinc/22/65/28/1076226528.db2.gz FNQYWILGZIMYDN-GFCCVEGCSA-N 0 1 387.400 -1.439 20 0 GAADMN O=C(NC[C@H]1COCCN1)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593048231 1076226421 /nfs/dbraw/zinc/22/64/21/1076226421.db2.gz FNQYWILGZIMYDN-LBPRGKRZSA-N 0 1 387.400 -1.439 20 0 GAADMN O=C(NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1)c1ccn2nnnc2c1 ZINC001593056356 1076226476 /nfs/dbraw/zinc/22/64/76/1076226476.db2.gz JIWKEYOFSMVKIU-OWOJBTEDSA-N 0 1 378.360 -1.086 20 0 GAADMN O=C(NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1)c1ccn2nnnc2c1 ZINC001593056357 1076226634 /nfs/dbraw/zinc/22/66/34/1076226634.db2.gz JIWKEYOFSMVKIU-UPHRSURJSA-N 0 1 378.360 -1.086 20 0 GAADMN O=C(NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCS1(=O)=O ZINC001593058209 1076226980 /nfs/dbraw/zinc/22/69/80/1076226980.db2.gz QQXDDDVEEFLXTE-JWXWKVPASA-N 0 1 378.418 -1.260 20 0 GAADMN O=C(NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCS1(=O)=O ZINC001593058211 1076227107 /nfs/dbraw/zinc/22/71/07/1076227107.db2.gz QQXDDDVEEFLXTE-SYBPUXJVSA-N 0 1 378.418 -1.260 20 0 GAADMN O=C(NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCS1(=O)=O ZINC001593058213 1076227011 /nfs/dbraw/zinc/22/70/11/1076227011.db2.gz QQXDDDVEEFLXTE-TXXBHVLJSA-N 0 1 378.418 -1.260 20 0 GAADMN O=C(NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCS1(=O)=O ZINC001593058214 1076226952 /nfs/dbraw/zinc/22/69/52/1076226952.db2.gz QQXDDDVEEFLXTE-YOLVWIGZSA-N 0 1 378.418 -1.260 20 0 GAADMN O=C(NCC=CCNc1ccnc(-c2nn[nH]n2)n1)c1nc2ncccn2n1 ZINC001593058472 1076226930 /nfs/dbraw/zinc/22/69/30/1076226930.db2.gz TYTBSNXVUODZSA-OWOJBTEDSA-N 0 1 378.360 -1.086 20 0 GAADMN O=C(NCC=CCNc1ccnc(-c2nn[nH]n2)n1)c1nc2ncccn2n1 ZINC001593058473 1076226876 /nfs/dbraw/zinc/22/68/76/1076226876.db2.gz TYTBSNXVUODZSA-UPHRSURJSA-N 0 1 378.360 -1.086 20 0 GAADMN O=C(NCCCNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCc2nnnn2CC1 ZINC001593076406 1076227414 /nfs/dbraw/zinc/22/74/14/1076227414.db2.gz OHMAATNZYOGMDV-JTQLQIEISA-N 0 1 384.408 -1.364 20 0 GAADMN O=C(NCCCNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCc2nnnn2CC1 ZINC001593076407 1076227576 /nfs/dbraw/zinc/22/75/76/1076227576.db2.gz OHMAATNZYOGMDV-SNVBAGLBSA-N 0 1 384.408 -1.364 20 0 GAADMN O=C(NCCN(CCN1C(=O)CNC1=O)C1CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593080398 1076227455 /nfs/dbraw/zinc/22/74/55/1076227455.db2.gz AMSBCZRUCZHHLV-UHFFFAOYSA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)C(=O)NC[C@@H]1COCCN1 ZINC001593087093 1076227960 /nfs/dbraw/zinc/22/79/60/1076227960.db2.gz OESPJXPETPULFJ-LLVKDONJSA-N 0 1 375.393 -2.106 20 0 GAADMN O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)C(=O)NC[C@H]1COCCN1 ZINC001593087094 1076227937 /nfs/dbraw/zinc/22/79/37/1076227937.db2.gz OESPJXPETPULFJ-NSHDSACASA-N 0 1 375.393 -2.106 20 0 GAADMN O=C(NCCNS(=O)(=O)c1cccnc1-c1nn[nH]n1)c1cnccn1 ZINC001593087134 1076227921 /nfs/dbraw/zinc/22/79/21/1076227921.db2.gz QPNXHCIIGQUXPJ-UHFFFAOYSA-N 0 1 375.374 -1.240 20 0 GAADMN O=C(NCCNCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCS(=O)(=O)N1 ZINC001593087813 1076227849 /nfs/dbraw/zinc/22/78/49/1076227849.db2.gz UYPFLDQPYAZHHN-GFCCVEGCSA-N 0 1 383.409 -1.097 20 0 GAADMN O=C(NCCNCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCS(=O)(=O)N1 ZINC001593087816 1076228260 /nfs/dbraw/zinc/22/82/60/1076228260.db2.gz UYPFLDQPYAZHHN-LBPRGKRZSA-N 0 1 383.409 -1.097 20 0 GAADMN O=C(NCCNc1ccnc(-c2nn[nH]n2)n1)c1cn(C2CCOCC2)nn1 ZINC001593090274 1076228323 /nfs/dbraw/zinc/22/83/23/1076228323.db2.gz FXHZCOPGXNGCHB-UHFFFAOYSA-N 0 1 385.392 -1.137 20 0 GAADMN O=C(NCCNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001593090848 1076228316 /nfs/dbraw/zinc/22/83/16/1076228316.db2.gz QCLSIYVREXCXAS-SECBINFHSA-N 0 1 383.376 -1.617 20 0 GAADMN O=C(NCCNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001593090849 1076228375 /nfs/dbraw/zinc/22/83/75/1076228375.db2.gz QCLSIYVREXCXAS-VIFPVBQESA-N 0 1 383.376 -1.617 20 0 GAADMN O=C(NCCNc1ccnc(-c2nn[nH]n2)n1)c1ccnc(-n2cncn2)c1 ZINC001593091012 1076228435 /nfs/dbraw/zinc/22/84/35/1076228435.db2.gz UENOWWDQSMQGPN-UHFFFAOYSA-N 0 1 378.360 -1.104 20 0 GAADMN O=C(NCCNc1ccnc(-c2nn[nH]n2)n1)C1CC2(C1)CS(=O)(=O)C2 ZINC001593091027 1076228299 /nfs/dbraw/zinc/22/82/99/1076228299.db2.gz URUUQGBBMGPZTI-UHFFFAOYSA-N 0 1 378.418 -1.569 20 0 GAADMN O=C(NCCNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1-n1cnnn1 ZINC001593091100 1076228309 /nfs/dbraw/zinc/22/83/09/1076228309.db2.gz VIJAEEYXGCATBJ-UHFFFAOYSA-N 0 1 378.360 -1.104 20 0 GAADMN O=C(NCCO)C1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001593094239 1076228924 /nfs/dbraw/zinc/22/89/24/1076228924.db2.gz KOKDOPLBDRIJIZ-UHFFFAOYSA-N 0 1 381.418 -1.229 20 0 GAADMN O=C(NCCNc1ncccc1-c1nn[nH]n1)C(=O)NC[C@H]1COCCN1 ZINC001593095128 1076228885 /nfs/dbraw/zinc/22/88/85/1076228885.db2.gz XMTMUZGAUMHLOB-JTQLQIEISA-N 0 1 375.393 -2.106 20 0 GAADMN O=C(NCCNc1ncccc1-c1nn[nH]n1)C(=O)NC[C@@H]1COCCN1 ZINC001593095129 1076228684 /nfs/dbraw/zinc/22/86/84/1076228684.db2.gz XMTMUZGAUMHLOB-SNVBAGLBSA-N 0 1 375.393 -2.106 20 0 GAADMN O=C(NCCOCCCNc1ccnc(-c2nn[nH]n2)n1)[C@H]1COCCO1 ZINC001593097111 1076228764 /nfs/dbraw/zinc/22/87/64/1076228764.db2.gz LGFRBXNLCYMEDH-LLVKDONJSA-N 0 1 378.393 -1.571 20 0 GAADMN O=C(NCCOCCCNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1COCCO1 ZINC001593097112 1076228648 /nfs/dbraw/zinc/22/86/48/1076228648.db2.gz LGFRBXNLCYMEDH-NSHDSACASA-N 0 1 378.393 -1.571 20 0 GAADMN O=C(NCCOCCCNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCNC1=O ZINC001593097206 1076228731 /nfs/dbraw/zinc/22/87/31/1076228731.db2.gz OXAUPBAQICBNTQ-JTQLQIEISA-N 0 1 375.393 -1.851 20 0 GAADMN O=C(NCCOCCCNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCNC1=O ZINC001593097207 1076228810 /nfs/dbraw/zinc/22/88/10/1076228810.db2.gz OXAUPBAQICBNTQ-SNVBAGLBSA-N 0 1 375.393 -1.851 20 0 GAADMN O=C(NCCS(=O)(=O)N1CCOCC1)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001593099788 1076229258 /nfs/dbraw/zinc/22/92/58/1076229258.db2.gz IVAWYGKHBPABNM-UHFFFAOYSA-N 0 1 382.402 -1.036 20 0 GAADMN O=C(NCCc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001593104317 1076229091 /nfs/dbraw/zinc/22/90/91/1076229091.db2.gz SCNZFHDROVAXBO-LSDHHAIUSA-N 0 1 385.428 -1.197 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC001593108742 1076229244 /nfs/dbraw/zinc/22/92/44/1076229244.db2.gz CUEVYYMCKSGLPO-UHFFFAOYSA-N 0 1 396.371 -1.050 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001593108943 1076229159 /nfs/dbraw/zinc/22/91/59/1076229159.db2.gz DYVBGJMOIZKLGL-ZJUUUORDSA-N 0 1 381.422 -1.181 20 0 GAADMN O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593109823 1076229629 /nfs/dbraw/zinc/22/96/29/1076229629.db2.gz PPERCCVWMGVFIM-GFCCVEGCSA-N 0 1 376.425 -1.301 20 0 GAADMN O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593109823 1076229623 /nfs/dbraw/zinc/22/96/23/1076229623.db2.gz PPERCCVWMGVFIM-GFCCVEGCSA-N 0 1 376.425 -1.301 20 0 GAADMN O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593109823 1076229620 /nfs/dbraw/zinc/22/96/20/1076229620.db2.gz PPERCCVWMGVFIM-GFCCVEGCSA-N 0 1 376.425 -1.301 20 0 GAADMN O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593109951 1076229581 /nfs/dbraw/zinc/22/95/81/1076229581.db2.gz PPERCCVWMGVFIM-LBPRGKRZSA-N 0 1 376.425 -1.301 20 0 GAADMN O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593109951 1076229579 /nfs/dbraw/zinc/22/95/79/1076229579.db2.gz PPERCCVWMGVFIM-LBPRGKRZSA-N 0 1 376.425 -1.301 20 0 GAADMN O=C(NCCn1cnc(-c2nnn[n-]2)n1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593109951 1076229571 /nfs/dbraw/zinc/22/95/71/1076229571.db2.gz PPERCCVWMGVFIM-LBPRGKRZSA-N 0 1 376.425 -1.301 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)N(CCC(F)(F)F)C[C@H](O)CO ZINC001593109965 1076229682 /nfs/dbraw/zinc/22/96/82/1076229682.db2.gz PWMXOHCZJUTCMK-QMMMGPOBSA-N 0 1 393.330 -1.225 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001593109971 1076229830 /nfs/dbraw/zinc/22/98/30/1076229830.db2.gz QBLWQSIDGPQQQB-JTQLQIEISA-N 0 1 390.408 -1.869 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001593109977 1076229840 /nfs/dbraw/zinc/22/98/40/1076229840.db2.gz QBLWQSIDGPQQQB-SNVBAGLBSA-N 0 1 390.408 -1.869 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)[C@H]1COCCN1CC(F)(F)F ZINC001593110127 1076229606 /nfs/dbraw/zinc/22/96/06/1076229606.db2.gz SRTCTZDTVBGDTN-MRVPVSSYSA-N 0 1 375.315 -1.163 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)[C@@H]1COCCN1CC(F)(F)F ZINC001593110128 1076229558 /nfs/dbraw/zinc/22/95/58/1076229558.db2.gz SRTCTZDTVBGDTN-QMMMGPOBSA-N 0 1 375.315 -1.163 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC001593110421 1076229769 /nfs/dbraw/zinc/22/97/69/1076229769.db2.gz YGDXRYXUEHELHG-UHFFFAOYSA-N 0 1 396.371 -1.050 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)NCc1nnnn1-c1ccccc1 ZINC001593110525 1076229726 /nfs/dbraw/zinc/22/97/26/1076229726.db2.gz BUXNDXPTNFNZDC-UHFFFAOYSA-N 0 1 381.364 -1.067 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)NCCS(=O)(=O)N1CCCC1 ZINC001593110768 1076229541 /nfs/dbraw/zinc/22/95/41/1076229541.db2.gz HEXJMHQLXJJSRN-UHFFFAOYSA-N 0 1 384.426 -1.817 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001593110787 1076229740 /nfs/dbraw/zinc/22/97/40/1076229740.db2.gz HPUDBUCVESMMRO-CYBMUJFWSA-N 0 1 397.421 -1.943 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001593110842 1076229710 /nfs/dbraw/zinc/22/97/10/1076229710.db2.gz HPUDBUCVESMMRO-ZDUSSCGKSA-N 0 1 397.421 -1.943 20 0 GAADMN O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001593111150 1076229785 /nfs/dbraw/zinc/22/97/85/1076229785.db2.gz KLPNAPBZYJSCRE-XHDPSFHLSA-N 0 1 392.424 -2.017 20 0 GAADMN O=C(NCCn1cnc(-c2nnn[n-]2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001593111150 1076229781 /nfs/dbraw/zinc/22/97/81/1076229781.db2.gz KLPNAPBZYJSCRE-XHDPSFHLSA-N 0 1 392.424 -2.017 20 0 GAADMN O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001593111150 1076229777 /nfs/dbraw/zinc/22/97/77/1076229777.db2.gz KLPNAPBZYJSCRE-XHDPSFHLSA-N 0 1 392.424 -2.017 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CCN(c2ncc(F)cn2)CC1 ZINC001593112047 1076229695 /nfs/dbraw/zinc/22/96/95/1076229695.db2.gz QMNCMTSEKCWUPE-UHFFFAOYSA-N 0 1 388.371 -1.081 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)NCc1ccc(-n2cncn2)nc1 ZINC001593112088 1076229653 /nfs/dbraw/zinc/22/96/53/1076229653.db2.gz RQEFBQHWBJKBGY-UHFFFAOYSA-N 0 1 381.364 -1.067 20 0 GAADMN O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CC[NH+](C2CCOCC2)CC1 ZINC001593112455 1076230016 /nfs/dbraw/zinc/23/00/16/1076230016.db2.gz VGXHOWHZNWXPKP-UHFFFAOYSA-N 0 1 376.425 -1.036 20 0 GAADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001593112544 1076230287 /nfs/dbraw/zinc/23/02/87/1076230287.db2.gz PKACXGOZUZWSLF-UHFFFAOYSA-N 0 1 396.371 -1.060 20 0 GAADMN O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001593115445 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VUVWDQAVBLQCDU-KOLCDFICSA-N 0 1 398.387 -1.637 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1cnc2n1CCOC2 ZINC001593179110 1076233855 /nfs/dbraw/zinc/23/38/55/1076233855.db2.gz VUVWDQAVBLQCDU-MWLCHTKSSA-N 0 1 398.387 -1.637 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC001593179117 1076233806 /nfs/dbraw/zinc/23/38/06/1076233806.db2.gz WOKBMINJUMDLGI-IVZWLZJFSA-N 0 1 394.417 -2.243 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC001593179118 1076233942 /nfs/dbraw/zinc/23/39/42/1076233942.db2.gz WOKBMINJUMDLGI-OPRDCNLKSA-N 0 1 394.417 -2.243 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)[C@@H]1CCc2nccn2C1 ZINC001593179121 1076233918 /nfs/dbraw/zinc/23/39/18/1076233918.db2.gz WUXLFXPLYBOPHB-IJLUTSLNSA-N 0 1 396.415 -1.219 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)[C@H]1CCc2nccn2C1 ZINC001593179122 1076233969 /nfs/dbraw/zinc/23/39/69/1076233969.db2.gz WUXLFXPLYBOPHB-QJPTWQEYSA-N 0 1 396.415 -1.219 20 0 GAADMN O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001593180421 1076236225 /nfs/dbraw/zinc/23/62/25/1076236225.db2.gz QJNCWYUTHQQVSP-JHJVBQTASA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001593180421 1076236222 /nfs/dbraw/zinc/23/62/22/1076236222.db2.gz QJNCWYUTHQQVSP-JHJVBQTASA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001593180422 1076236064 /nfs/dbraw/zinc/23/60/64/1076236064.db2.gz QJNCWYUTHQQVSP-YNEHKIRRSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001593180422 1076236059 /nfs/dbraw/zinc/23/60/59/1076236059.db2.gz QJNCWYUTHQQVSP-YNEHKIRRSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1nc2ncccn2n1 ZINC001593187237 1076236559 /nfs/dbraw/zinc/23/65/59/1076236559.db2.gz HYRLGOVUKUXUQN-DTORHVGOSA-N 0 1 378.360 -1.111 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001593187382 1076236494 /nfs/dbraw/zinc/23/64/94/1076236494.db2.gz LVZGQEZSQPZUST-HRDYMLBCSA-N 0 1 379.406 -2.171 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001593187383 1076236510 /nfs/dbraw/zinc/23/65/10/1076236510.db2.gz LVZGQEZSQPZUST-YIZRAAEISA-N 0 1 379.406 -2.171 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccn2nnnc2c1 ZINC001593187602 1076236664 /nfs/dbraw/zinc/23/66/64/1076236664.db2.gz YQGAKEXNODTKCA-AOOOYVTPSA-N 0 1 378.360 -1.111 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593193195 1076236646 /nfs/dbraw/zinc/23/66/46/1076236646.db2.gz ASUSMMRKPBVAGO-IWIIMEHWSA-N 0 1 385.388 -1.593 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1nc2ncccn2n1 ZINC001593193877 1076237214 /nfs/dbraw/zinc/23/72/14/1076237214.db2.gz CGLYHSWPNSWAQK-JZYVYDRUSA-N 0 1 390.371 -1.041 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccc2nnnn2c1 ZINC001593193894 1076236982 /nfs/dbraw/zinc/23/69/82/1076236982.db2.gz DWCDLHWGYMKPRV-IWIIMEHWSA-N 0 1 390.371 -1.041 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C1CS(=O)(=O)C1 ZINC001593193895 1076237156 /nfs/dbraw/zinc/23/71/56/1076237156.db2.gz FBBFQQQYUNYNGJ-PJXYFTJBSA-N 0 1 375.414 -1.143 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1cccn2nnnc12 ZINC001593194102 1076237072 /nfs/dbraw/zinc/23/70/72/1076237072.db2.gz WVNTYDIPIVLJHZ-IAZYJMLFSA-N 0 1 390.371 -1.041 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@H]1CCS(=O)(=O)N1 ZINC001593194110 1076237030 /nfs/dbraw/zinc/23/70/30/1076237030.db2.gz XONNVQOBFDZLQV-LOKLDPHHSA-N 0 1 391.417 -2.101 20 0 GAADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@@H]1CCS(=O)(=O)N1 ZINC001593194111 1076237153 /nfs/dbraw/zinc/23/71/53/1076237153.db2.gz XONNVQOBFDZLQV-QCBRBAQYSA-N 0 1 391.417 -2.101 20 0 GAADMN 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ZHKZRWHMLYMDKY-ILXRZTDVSA-N 0 1 384.477 -1.330 20 0 GAADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001596434843 984114598 /nfs/dbraw/zinc/11/45/98/984114598.db2.gz ZHKZRWHMLYMDKY-KFWWJZLASA-N 0 1 384.477 -1.330 20 0 GAADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001596434844 984114869 /nfs/dbraw/zinc/11/48/69/984114869.db2.gz ZHKZRWHMLYMDKY-QLFBSQMISA-N 0 1 384.477 -1.330 20 0 GAADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC001596434845 984115037 /nfs/dbraw/zinc/11/50/37/984115037.db2.gz ZHKZRWHMLYMDKY-RBSFLKMASA-N 0 1 384.477 -1.330 20 0 GAADMN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)n1 ZINC001596637991 984630309 /nfs/dbraw/zinc/63/03/09/984630309.db2.gz VAWSDFUBSQLYEZ-JTQLQIEISA-N 0 1 382.377 -1.746 20 0 GAADMN CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)n1 ZINC001596637992 984630450 /nfs/dbraw/zinc/63/04/50/984630450.db2.gz VAWSDFUBSQLYEZ-SNVBAGLBSA-N 0 1 382.377 -1.746 20 0 GAADMN CCOC(=O)N1CCN(C(=O)C[NH2+]C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001596652047 984687073 /nfs/dbraw/zinc/68/70/73/984687073.db2.gz WZYCEBOBYZNGKM-UHFFFAOYSA-N 0 1 391.446 -1.091 20 0 GAADMN CCOC(=O)N1CCN(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001596654924 984691355 /nfs/dbraw/zinc/69/13/55/984691355.db2.gz KKUUKMRAXWAIAF-GFCCVEGCSA-N 0 1 378.451 -1.047 20 0 GAADMN CCOC(=O)N1CCN(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001596654925 984691467 /nfs/dbraw/zinc/69/14/67/984691467.db2.gz KKUUKMRAXWAIAF-LBPRGKRZSA-N 0 1 378.451 -1.047 20 0 GAADMN NS(=O)(=O)N1CCC(C(=O)N2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC001597302709 1076260621 /nfs/dbraw/zinc/26/06/21/1076260621.db2.gz FHHMMLKHIFGPIE-UHFFFAOYSA-N 0 1 390.506 -1.412 20 0 GAADMN NC(=O)c1cn(CCC(=O)N2CCN(C[C@H]3CCOC3)CC2)c(=O)[nH]c1=O ZINC001597520609 1076261235 /nfs/dbraw/zinc/26/12/35/1076261235.db2.gz FBLPALYHSYEHCV-GFCCVEGCSA-N 0 1 379.417 -1.381 20 0 GAADMN 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CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H](Cc2cncs2)C(=O)[O-])CC1 ZINC001598129960 990565637 /nfs/dbraw/zinc/56/56/37/990565637.db2.gz JWIBZFKLBJGWLY-CYBMUJFWSA-N 0 1 383.474 -1.039 20 0 GAADMN CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H](Cc2cncs2)C(=O)[O-])CC1 ZINC001598129961 990566799 /nfs/dbraw/zinc/56/67/99/990566799.db2.gz JWIBZFKLBJGWLY-ZDUSSCGKSA-N 0 1 383.474 -1.039 20 0 GAADMN C[NH+](C)CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001598223944 990904474 /nfs/dbraw/zinc/90/44/74/990904474.db2.gz UHOHKQNPVNNHNE-CHWSQXEVSA-N 0 1 389.474 -1.113 20 0 GAADMN C[NH+](C)CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001598223947 990904154 /nfs/dbraw/zinc/90/41/54/990904154.db2.gz UHOHKQNPVNNHNE-OLZOCXBDSA-N 0 1 389.474 -1.113 20 0 GAADMN C[NH+](C)CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001598223950 990904317 /nfs/dbraw/zinc/90/43/17/990904317.db2.gz UHOHKQNPVNNHNE-QWHCGFSZSA-N 0 1 389.474 -1.113 20 0 GAADMN C[NH+](C)CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001598223953 990904367 /nfs/dbraw/zinc/90/43/67/990904367.db2.gz UHOHKQNPVNNHNE-STQMWFEESA-N 0 1 389.474 -1.113 20 0 GAADMN CN(C[C@@H](O)C[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])CC(F)(F)F ZINC001598436822 991834207 /nfs/dbraw/zinc/83/42/07/991834207.db2.gz QNKSVYMHLQYRTI-AEJSXWLSSA-N 0 1 382.339 -1.079 20 0 GAADMN CN(C[C@H](O)C[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])CC(F)(F)F ZINC001598436824 991834184 /nfs/dbraw/zinc/83/41/84/991834184.db2.gz QNKSVYMHLQYRTI-GUBZILKMSA-N 0 1 382.339 -1.079 20 0 GAADMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460560 991951798 /nfs/dbraw/zinc/95/17/98/991951798.db2.gz VLVPYHIXVLBOIR-KBXCAEBGSA-N 0 1 382.461 -1.073 20 0 GAADMN CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460561 991950978 /nfs/dbraw/zinc/95/09/78/991950978.db2.gz VLVPYHIXVLBOIR-KDOFPFPSSA-N 0 1 382.461 -1.073 20 0 GAADMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460562 991951514 /nfs/dbraw/zinc/95/15/14/991951514.db2.gz VLVPYHIXVLBOIR-KSSFIOAISA-N 0 1 382.461 -1.073 20 0 GAADMN CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460563 991950794 /nfs/dbraw/zinc/95/07/94/991950794.db2.gz VLVPYHIXVLBOIR-RDTXWAMCSA-N 0 1 382.461 -1.073 20 0 GAADMN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598468261 991984458 /nfs/dbraw/zinc/98/44/58/991984458.db2.gz VEXYXGBJPYYDAD-CXAGYDPISA-N 0 1 385.417 -1.752 20 0 GAADMN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598468262 991984291 /nfs/dbraw/zinc/98/42/91/991984291.db2.gz VEXYXGBJPYYDAD-DYVFJYSZSA-N 0 1 385.417 -1.752 20 0 GAADMN CN(C[C@H]1COCCO1)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598468263 991984613 /nfs/dbraw/zinc/98/46/13/991984613.db2.gz VEXYXGBJPYYDAD-GUYCJALGSA-N 0 1 385.417 -1.752 20 0 GAADMN CN(C[C@H]1COCCO1)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598468264 991984564 /nfs/dbraw/zinc/98/45/64/991984564.db2.gz VEXYXGBJPYYDAD-SUMWQHHRSA-N 0 1 385.417 -1.752 20 0 GAADMN CN(CCCNC(=O)C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1)S(C)(=O)=O ZINC001598479879 992130831 /nfs/dbraw/zinc/13/08/31/992130831.db2.gz NEHBQAPMZUKCHI-UHFFFAOYSA-N 0 1 399.491 -1.994 20 0 GAADMN C[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)CC(=O)[O-] ZINC001598489554 992266079 /nfs/dbraw/zinc/26/60/79/992266079.db2.gz RQEXCXLIEPQMLB-LLVKDONJSA-N 0 1 398.441 -1.181 20 0 GAADMN C[N@@H+](CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)CC(=O)[O-] ZINC001598489555 992265199 /nfs/dbraw/zinc/26/51/99/992265199.db2.gz RQEXCXLIEPQMLB-NSHDSACASA-N 0 1 398.441 -1.181 20 0 GAADMN C[N@@H+](CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CC(=O)[O-] ZINC001598492307 992314244 /nfs/dbraw/zinc/31/42/44/992314244.db2.gz CBRFNKAUKPURSJ-UHFFFAOYSA-N 0 1 380.386 -1.156 20 0 GAADMN CN(Cc1cnn(C)c1)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598534802 992838384 /nfs/dbraw/zinc/83/83/84/992838384.db2.gz XZPJLLBHMGVRIK-KRWDZBQOSA-N 0 1 379.417 -1.234 20 0 GAADMN CN(Cc1cnn(C)c1)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598534803 992838451 /nfs/dbraw/zinc/83/84/51/992838451.db2.gz XZPJLLBHMGVRIK-QGZVFWFLSA-N 0 1 379.417 -1.234 20 0 GAADMN CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)C2)CC1 ZINC001598584987 993369200 /nfs/dbraw/zinc/36/92/00/993369200.db2.gz HVDXIUPOZXDJBA-IPYPFGDCSA-N 0 1 382.461 -1.435 20 0 GAADMN CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)C2)CC1 ZINC001598584987 993369193 /nfs/dbraw/zinc/36/91/93/993369193.db2.gz HVDXIUPOZXDJBA-IPYPFGDCSA-N 0 1 382.461 -1.435 20 0 GAADMN CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)C2)CC1 ZINC001598584991 993369303 /nfs/dbraw/zinc/36/93/03/993369303.db2.gz HVDXIUPOZXDJBA-KCQAQPDRSA-N 0 1 382.461 -1.435 20 0 GAADMN CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)C2)CC1 ZINC001598584991 993369298 /nfs/dbraw/zinc/36/92/98/993369298.db2.gz HVDXIUPOZXDJBA-KCQAQPDRSA-N 0 1 382.461 -1.435 20 0 GAADMN CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)C2)CC1 ZINC001598584994 993369785 /nfs/dbraw/zinc/36/97/85/993369785.db2.gz HVDXIUPOZXDJBA-VNHYZAJKSA-N 0 1 382.461 -1.435 20 0 GAADMN CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)C2)CC1 ZINC001598584994 993369780 /nfs/dbraw/zinc/36/97/80/993369780.db2.gz HVDXIUPOZXDJBA-VNHYZAJKSA-N 0 1 382.461 -1.435 20 0 GAADMN CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)C2)CC1 ZINC001598584997 993369526 /nfs/dbraw/zinc/36/95/26/993369526.db2.gz HVDXIUPOZXDJBA-YDHLFZDLSA-N 0 1 382.461 -1.435 20 0 GAADMN CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)C2)CC1 ZINC001598584997 993369524 /nfs/dbraw/zinc/36/95/24/993369524.db2.gz HVDXIUPOZXDJBA-YDHLFZDLSA-N 0 1 382.461 -1.435 20 0 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ZINC001603031354 1076277812 /nfs/dbraw/zinc/27/78/12/1076277812.db2.gz DIIACQSXTGCTGG-YFKPBYRVSA-N 0 1 391.270 -1.050 20 0 GAADMN CC(C)(C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)N1CCOCC1 ZINC001603043479 1076278112 /nfs/dbraw/zinc/27/81/12/1076278112.db2.gz RJQKZKLTEDHSMJ-GFCCVEGCSA-N 0 1 390.448 -1.317 20 0 GAADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)N1CCOCC1 ZINC001603043480 1076278137 /nfs/dbraw/zinc/27/81/37/1076278137.db2.gz RJQKZKLTEDHSMJ-LBPRGKRZSA-N 0 1 390.448 -1.317 20 0 GAADMN CC(C)(C(N)=O)C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603050549 1076278489 /nfs/dbraw/zinc/27/84/89/1076278489.db2.gz ROLGDSGILKCFBL-SECBINFHSA-N 0 1 375.393 -1.771 20 0 GAADMN CC(C)(C(N)=O)C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603050550 1076278470 /nfs/dbraw/zinc/27/84/70/1076278470.db2.gz ROLGDSGILKCFBL-VIFPVBQESA-N 0 1 375.393 -1.771 20 0 GAADMN CC(C)(C)OC(=O)N1CC(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001603086949 1076278902 /nfs/dbraw/zinc/27/89/02/1076278902.db2.gz AZSARWXYPSVSRO-UHFFFAOYSA-N 0 1 399.437 -1.003 20 0 GAADMN CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001603087048 1076278938 /nfs/dbraw/zinc/27/89/38/1076278938.db2.gz GIXUKXGJWHCKMP-UHFFFAOYSA-N 0 1 393.408 -1.054 20 0 GAADMN CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC001603087201 1076278862 /nfs/dbraw/zinc/27/88/62/1076278862.db2.gz NYNWURWADWZAER-UHFFFAOYSA-N 0 1 379.381 -1.444 20 0 GAADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC001603092284 1076279049 /nfs/dbraw/zinc/27/90/49/1076279049.db2.gz AJSPPMBYRLSCSV-VHSXEESVSA-N 0 1 393.408 -1.198 20 0 GAADMN CC(C)(NS(C)(=O)=O)C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001603166289 1076279403 /nfs/dbraw/zinc/27/94/03/1076279403.db2.gz MKFRZUJXDIUEIO-UHFFFAOYSA-N 0 1 383.438 -1.675 20 0 GAADMN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001603230178 1076279813 /nfs/dbraw/zinc/27/98/13/1076279813.db2.gz OXZCFXJDDCUUJM-FJHFEUQMSA-N 0 1 380.401 -1.340 20 0 GAADMN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001603230181 1076279744 /nfs/dbraw/zinc/27/97/44/1076279744.db2.gz OXZCFXJDDCUUJM-GPHJXTMHSA-N 0 1 380.401 -1.340 20 0 GAADMN CC(C)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)N1CCOCC1 ZINC001603308101 1076280214 /nfs/dbraw/zinc/28/02/14/1076280214.db2.gz VLEUMXKSAMTCGG-NSHDSACASA-N 0 1 377.409 -1.152 20 0 GAADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603330635 1076280109 /nfs/dbraw/zinc/28/01/09/1076280109.db2.gz BIMGMDQMPRLAKK-MNOVXSKESA-N 0 1 389.420 -1.633 20 0 GAADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603330636 1076280083 /nfs/dbraw/zinc/28/00/83/1076280083.db2.gz BIMGMDQMPRLAKK-QWRGUYRKSA-N 0 1 389.420 -1.633 20 0 GAADMN CC(C)NC(=O)C(=O)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001603334970 1076280146 /nfs/dbraw/zinc/28/01/46/1076280146.db2.gz GLOSQNJIBOWPBK-UHFFFAOYSA-N 0 1 376.381 -2.346 20 0 GAADMN CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 ZINC001603335950 1076280185 /nfs/dbraw/zinc/28/01/85/1076280185.db2.gz ZWWZKCIFPJCBBC-UHFFFAOYSA-N 0 1 397.417 -1.183 20 0 GAADMN CC(C)NS(=O)(=O)CCNS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001603341967 1076280542 /nfs/dbraw/zinc/28/05/42/1076280542.db2.gz FGOPPWKLJFXEFA-UHFFFAOYSA-N 0 1 375.436 -1.132 20 0 GAADMN CC(C)[NH2+]C1(CO)CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001603342375 1076280588 /nfs/dbraw/zinc/28/05/88/1076280588.db2.gz HRYDVPHAAVXWGJ-UHFFFAOYSA-N 0 1 392.420 -1.520 20 0 GAADMN CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCNc1ccncc1-c1nn[nH]n1 ZINC001603388413 1076280528 /nfs/dbraw/zinc/28/05/28/1076280528.db2.gz XBNKFVPAPFJPJN-LBPRGKRZSA-N 0 1 382.450 -1.215 20 0 GAADMN CC(C)c1nnnn1CC(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603420506 1076280416 /nfs/dbraw/zinc/28/04/16/1076280416.db2.gz CVKUZSNPLQUGRQ-ARJAWSKDSA-N 0 1 384.408 -1.027 20 0 GAADMN CC(C)c1nnnn1CC(=O)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603420507 1076280441 /nfs/dbraw/zinc/28/04/41/1076280441.db2.gz CVKUZSNPLQUGRQ-ONEGZZNKSA-N 0 1 384.408 -1.027 20 0 GAADMN C[C@H](C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)NC(=O)CN1CCNC(=O)C1 ZINC001603458824 1076280906 /nfs/dbraw/zinc/28/09/06/1076280906.db2.gz PSJYKBWOSROGPO-GHMZBOCLSA-N 0 1 388.436 -1.794 20 0 GAADMN C[C@H](C[C@H](C)NC(=O)CN1CCNC(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603458825 1076280968 /nfs/dbraw/zinc/28/09/68/1076280968.db2.gz PSJYKBWOSROGPO-MNOVXSKESA-N 0 1 388.436 -1.794 20 0 GAADMN C[C@@H](C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)NC(=O)CN1CCNC(=O)C1 ZINC001603458826 1076280985 /nfs/dbraw/zinc/28/09/85/1076280985.db2.gz PSJYKBWOSROGPO-QWRGUYRKSA-N 0 1 388.436 -1.794 20 0 GAADMN C[C@H](C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)NC(=O)CN1CCNC(=O)C1 ZINC001603458827 1076281040 /nfs/dbraw/zinc/28/10/40/1076281040.db2.gz PSJYKBWOSROGPO-WDEREUQCSA-N 0 1 388.436 -1.794 20 0 GAADMN C[C@@H](CCCNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001603473629 1076281315 /nfs/dbraw/zinc/28/13/15/1076281315.db2.gz BWAAMGKFWVRNCW-CABZTGNLSA-N 0 1 387.404 -1.022 20 0 GAADMN C[C@H](CCCNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001603473631 1076281140 /nfs/dbraw/zinc/28/11/40/1076281140.db2.gz BWAAMGKFWVRNCW-SKDRFNHKSA-N 0 1 387.404 -1.022 20 0 GAADMN C[C@H](CCCNc1ccncc1-c1nn[nH]n1)NC(=O)Cn1ncn(C)c1=O ZINC001603474824 1076281258 /nfs/dbraw/zinc/28/12/58/1076281258.db2.gz HSWQMSURFQPCPE-LLVKDONJSA-N 0 1 386.420 -1.024 20 0 GAADMN C[C@@H](CCCNc1ccncc1-c1nn[nH]n1)NC(=O)Cn1ncn(C)c1=O ZINC001603474828 1076281127 /nfs/dbraw/zinc/28/11/27/1076281127.db2.gz HSWQMSURFQPCPE-NSHDSACASA-N 0 1 386.420 -1.024 20 0 GAADMN C[C@H](CCCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC(=O)NC(=O)C1 ZINC001603475675 1076281208 /nfs/dbraw/zinc/28/12/08/1076281208.db2.gz OTGHBYRPDBWNCC-SECBINFHSA-N 0 1 387.404 -1.172 20 0 GAADMN C[C@@H](CCCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC(=O)NC(=O)C1 ZINC001603475676 1076281290 /nfs/dbraw/zinc/28/12/90/1076281290.db2.gz OTGHBYRPDBWNCC-VIFPVBQESA-N 0 1 387.404 -1.172 20 0 GAADMN C[C@H](CCNC(=O)CN(C)S(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603481456 1076281221 /nfs/dbraw/zinc/28/12/21/1076281221.db2.gz PPOAPFRTNPFNKP-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@@H](CCNC(=O)CN(C)S(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603481465 1076281157 /nfs/dbraw/zinc/28/11/57/1076281157.db2.gz PPOAPFRTNPFNKP-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@@H](CCNC(=O)CN1CCOCC1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603482982 1076281172 /nfs/dbraw/zinc/28/11/72/1076281172.db2.gz IYSNPWGWECLYDY-JTQLQIEISA-N 0 1 375.393 -1.756 20 0 GAADMN C[C@H](CCNC(=O)CN1CCOCC1=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603482983 1076281184 /nfs/dbraw/zinc/28/11/84/1076281184.db2.gz IYSNPWGWECLYDY-SNVBAGLBSA-N 0 1 375.393 -1.756 20 0 GAADMN C[C@H](CCNC(=O)CN1CCN(C)C(=O)C1)Nc1ccncc1-c1nn[nH]n1 ZINC001603483706 1076281250 /nfs/dbraw/zinc/28/12/50/1076281250.db2.gz VAZKKVQFVAETSD-GFCCVEGCSA-N 0 1 387.448 -1.236 20 0 GAADMN C[C@H](CCNC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001603483828 1076281325 /nfs/dbraw/zinc/28/13/25/1076281325.db2.gz WWMAJUQTPVUMHG-SNVBAGLBSA-N 0 1 385.388 -1.047 20 0 GAADMN C[C@H](CCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CN(C)S(C)(=O)=O ZINC001603489944 1076281240 /nfs/dbraw/zinc/28/12/40/1076281240.db2.gz LMGLSHACYPBSFY-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@@H](CCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CN(C)S(C)(=O)=O ZINC001603489945 1076281721 /nfs/dbraw/zinc/28/17/21/1076281721.db2.gz LMGLSHACYPBSFY-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@H](CCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001603489948 1076281666 /nfs/dbraw/zinc/28/16/66/1076281666.db2.gz LRXQSWBXDYJAPD-NXEZZACHSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001603489950 1076281655 /nfs/dbraw/zinc/28/16/55/1076281655.db2.gz LRXQSWBXDYJAPD-UWVGGRQHSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001603489952 1076281749 /nfs/dbraw/zinc/28/17/49/1076281749.db2.gz LRXQSWBXDYJAPD-VHSXEESVSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@H](CCNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001603489955 1076281744 /nfs/dbraw/zinc/28/17/44/1076281744.db2.gz LRXQSWBXDYJAPD-ZJUUUORDSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001603493080 1076281699 /nfs/dbraw/zinc/28/16/99/1076281699.db2.gz DHXFPPWHDOGEGI-JTQLQIEISA-N 0 1 387.404 -1.116 20 0 GAADMN C[C@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001603493081 1076281684 /nfs/dbraw/zinc/28/16/84/1076281684.db2.gz DHXFPPWHDOGEGI-SNVBAGLBSA-N 0 1 387.404 -1.116 20 0 GAADMN C[C@@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CCC(=O)NC1=O ZINC001603494309 1076281606 /nfs/dbraw/zinc/28/16/06/1076281606.db2.gz YSPNKQWTBPNRJS-JTQLQIEISA-N 0 1 387.404 -1.068 20 0 GAADMN C[C@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CCC(=O)NC1=O ZINC001603494310 1076282187 /nfs/dbraw/zinc/28/21/87/1076282187.db2.gz YSPNKQWTBPNRJS-SNVBAGLBSA-N 0 1 387.404 -1.068 20 0 GAADMN C[C@@H](CN(C)c1ccnc(-c2nn[nH]n2)n1)NC(=O)CCn1ncn(C)c1=O ZINC001603512010 1076282625 /nfs/dbraw/zinc/28/26/25/1076282625.db2.gz OVHLCPXEKNDMQT-JTQLQIEISA-N 0 1 387.408 -1.417 20 0 GAADMN C[C@H](CN(C)c1ccnc(-c2nn[nH]n2)n1)NC(=O)CCn1ncn(C)c1=O ZINC001603512036 1076282419 /nfs/dbraw/zinc/28/24/19/1076282419.db2.gz OVHLCPXEKNDMQT-SNVBAGLBSA-N 0 1 387.408 -1.417 20 0 GAADMN C[C@@H](CN(C)c1ccnc(-c2nn[nH]n2)n1)NC(=O)CN1CCOCC1=O ZINC001603512652 1076282699 /nfs/dbraw/zinc/28/26/99/1076282699.db2.gz XNBAYFBDSMUPFA-JTQLQIEISA-N 0 1 375.393 -1.544 20 0 GAADMN C[C@H](CN(C)c1ccnc(-c2nn[nH]n2)n1)NC(=O)CN1CCOCC1=O ZINC001603512653 1076282678 /nfs/dbraw/zinc/28/26/78/1076282678.db2.gz XNBAYFBDSMUPFA-SNVBAGLBSA-N 0 1 375.393 -1.544 20 0 GAADMN C[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603520614 1076283014 /nfs/dbraw/zinc/28/30/14/1076283014.db2.gz IAVVZCSMJXMHID-MRVPVSSYSA-N 0 1 383.438 -1.677 20 0 GAADMN C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603520618 1076283067 /nfs/dbraw/zinc/28/30/67/1076283067.db2.gz IAVVZCSMJXMHID-QMMMGPOBSA-N 0 1 383.438 -1.677 20 0 GAADMN C[C@H](CNC(=O)[C@H]1CCCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603523752 1076283021 /nfs/dbraw/zinc/28/30/21/1076283021.db2.gz IAFRWYXGMZFYRZ-NXEZZACHSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@@H](CNC(=O)[C@@H]1CCCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603523754 1076282964 /nfs/dbraw/zinc/28/29/64/1076282964.db2.gz IAFRWYXGMZFYRZ-UWVGGRQHSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@@H](CNC(=O)[C@H]1CCCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603523756 1076282980 /nfs/dbraw/zinc/28/29/80/1076282980.db2.gz IAFRWYXGMZFYRZ-VHSXEESVSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNC(=O)[C@@H]1CCCCS1(=O)=O)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603523757 1076283113 /nfs/dbraw/zinc/28/31/13/1076283113.db2.gz IAFRWYXGMZFYRZ-ZJUUUORDSA-N 0 1 380.434 -1.038 20 0 GAADMN C[C@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603528428 1076283562 /nfs/dbraw/zinc/28/35/62/1076283562.db2.gz PKIVXBWIEALFJC-NXEZZACHSA-N 0 1 383.420 -1.071 20 0 GAADMN C[C@@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603528429 1076283454 /nfs/dbraw/zinc/28/34/54/1076283454.db2.gz PKIVXBWIEALFJC-UWVGGRQHSA-N 0 1 383.420 -1.071 20 0 GAADMN C[C@@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603528430 1076283414 /nfs/dbraw/zinc/28/34/14/1076283414.db2.gz PKIVXBWIEALFJC-VHSXEESVSA-N 0 1 383.420 -1.071 20 0 GAADMN C[C@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603528431 1076283492 /nfs/dbraw/zinc/28/34/92/1076283492.db2.gz PKIVXBWIEALFJC-ZJUUUORDSA-N 0 1 383.420 -1.071 20 0 GAADMN C[C@H](CNC(=O)CCN1C(=O)CCC1=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603529178 1076283426 /nfs/dbraw/zinc/28/34/26/1076283426.db2.gz FFYTUQFVGLXKJC-JTQLQIEISA-N 0 1 387.404 -1.218 20 0 GAADMN C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603529179 1076283607 /nfs/dbraw/zinc/28/36/07/1076283607.db2.gz FFYTUQFVGLXKJC-SNVBAGLBSA-N 0 1 387.404 -1.218 20 0 GAADMN C[C@@H](CNC(=O)CCNS(C)(=O)=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603529204 1076283632 /nfs/dbraw/zinc/28/36/32/1076283632.db2.gz GATILDOLLDXWJQ-SECBINFHSA-N 0 1 383.438 -1.818 20 0 GAADMN C[C@H](CNC(=O)CCNS(C)(=O)=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603529205 1076283479 /nfs/dbraw/zinc/28/34/79/1076283479.db2.gz GATILDOLLDXWJQ-VIFPVBQESA-N 0 1 383.438 -1.818 20 0 GAADMN C[C@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603529653 1076283593 /nfs/dbraw/zinc/28/35/93/1076283593.db2.gz HVHKVMOOJGDCGH-NXEZZACHSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603529658 1076283508 /nfs/dbraw/zinc/28/35/08/1076283508.db2.gz HVHKVMOOJGDCGH-UWVGGRQHSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603529664 1076283545 /nfs/dbraw/zinc/28/35/45/1076283545.db2.gz HVHKVMOOJGDCGH-VHSXEESVSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603529670 1076283466 /nfs/dbraw/zinc/28/34/66/1076283466.db2.gz HVHKVMOOJGDCGH-ZJUUUORDSA-N 0 1 380.434 -1.180 20 0 GAADMN C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603530124 1076283401 /nfs/dbraw/zinc/28/34/01/1076283401.db2.gz BPRHVNUNUJXHGQ-SECBINFHSA-N 0 1 388.392 -1.863 20 0 GAADMN C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603530128 1076283742 /nfs/dbraw/zinc/28/37/42/1076283742.db2.gz BPRHVNUNUJXHGQ-VIFPVBQESA-N 0 1 388.392 -1.863 20 0 GAADMN C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001603531052 1076283843 /nfs/dbraw/zinc/28/38/43/1076283843.db2.gz QPKJENBWNRDKJW-SECBINFHSA-N 0 1 383.438 -2.004 20 0 GAADMN C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001603531053 1076283746 /nfs/dbraw/zinc/28/37/46/1076283746.db2.gz QPKJENBWNRDKJW-VIFPVBQESA-N 0 1 383.438 -2.004 20 0 GAADMN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603535165 1076284210 /nfs/dbraw/zinc/28/42/10/1076284210.db2.gz OARQPJZKLVHPSJ-SECBINFHSA-N 0 1 383.438 -1.866 20 0 GAADMN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603535169 1076284464 /nfs/dbraw/zinc/28/44/64/1076284464.db2.gz OARQPJZKLVHPSJ-VIFPVBQESA-N 0 1 383.438 -1.866 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001603557986 1076284872 /nfs/dbraw/zinc/28/48/72/1076284872.db2.gz AOLXSEAWVZFLQV-JTQLQIEISA-N 0 1 387.404 -1.116 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001603557987 1076284597 /nfs/dbraw/zinc/28/45/97/1076284597.db2.gz AOLXSEAWVZFLQV-SNVBAGLBSA-N 0 1 387.404 -1.116 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001603558798 1076284796 /nfs/dbraw/zinc/28/47/96/1076284796.db2.gz ZVWDBEIWODVDBJ-JTQLQIEISA-N 0 1 387.404 -1.164 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001603558799 1076284591 /nfs/dbraw/zinc/28/45/91/1076284591.db2.gz ZVWDBEIWODVDBJ-SNVBAGLBSA-N 0 1 387.404 -1.164 20 0 GAADMN C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001603572242 1076284742 /nfs/dbraw/zinc/28/47/42/1076284742.db2.gz XIFFTXBQFVSBRK-JTQLQIEISA-N 0 1 380.434 -1.014 20 0 GAADMN C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001603572243 1076284787 /nfs/dbraw/zinc/28/47/87/1076284787.db2.gz XIFFTXBQFVSBRK-SNVBAGLBSA-N 0 1 380.434 -1.014 20 0 GAADMN C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)N1CCS(=O)(=O)CC1 ZINC001603607519 1076285287 /nfs/dbraw/zinc/28/52/87/1076285287.db2.gz HXJGSFAPCRCIRG-BDAKNGLRSA-N 0 1 397.421 -2.219 20 0 GAADMN C[C@H](C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001603607520 1076285211 /nfs/dbraw/zinc/28/52/11/1076285211.db2.gz HXJGSFAPCRCIRG-DTWKUNHWSA-N 0 1 397.421 -2.219 20 0 GAADMN C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)N1CCS(=O)(=O)CC1 ZINC001603607521 1076285191 /nfs/dbraw/zinc/28/51/91/1076285191.db2.gz HXJGSFAPCRCIRG-IUCAKERBSA-N 0 1 397.421 -2.219 20 0 GAADMN C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)N1CCS(=O)(=O)CC1 ZINC001603607522 1076285218 /nfs/dbraw/zinc/28/52/18/1076285218.db2.gz HXJGSFAPCRCIRG-RKDXNWHRSA-N 0 1 397.421 -2.219 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001603614726 1076285113 /nfs/dbraw/zinc/28/51/13/1076285113.db2.gz WYMPCDWHGVLWSK-BDAKNGLRSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603614727 1076285256 /nfs/dbraw/zinc/28/52/56/1076285256.db2.gz WYMPCDWHGVLWSK-DTWKUNHWSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603614729 1076285149 /nfs/dbraw/zinc/28/51/49/1076285149.db2.gz WYMPCDWHGVLWSK-IUCAKERBSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603614730 1076285246 /nfs/dbraw/zinc/28/52/46/1076285246.db2.gz WYMPCDWHGVLWSK-RKDXNWHRSA-N 0 1 380.434 -1.182 20 0 GAADMN C[C@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001603617286 1076285608 /nfs/dbraw/zinc/28/56/08/1076285608.db2.gz FPPGAPOJVWQRHV-GXSJLCMTSA-N 0 1 377.409 -2.121 20 0 GAADMN C[C@@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001603617287 1076285651 /nfs/dbraw/zinc/28/56/51/1076285651.db2.gz FPPGAPOJVWQRHV-KOLCDFICSA-N 0 1 377.409 -2.121 20 0 GAADMN C[C@@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001603617288 1076285472 /nfs/dbraw/zinc/28/54/72/1076285472.db2.gz FPPGAPOJVWQRHV-MWLCHTKSSA-N 0 1 377.409 -2.121 20 0 GAADMN C[C@H](NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001603617289 1076285722 /nfs/dbraw/zinc/28/57/22/1076285722.db2.gz FPPGAPOJVWQRHV-ONGXEEELSA-N 0 1 377.409 -2.121 20 0 GAADMN C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC001603641186 1076286057 /nfs/dbraw/zinc/28/60/57/1076286057.db2.gz MJSGNIKWAVCDBP-SECBINFHSA-N 0 1 394.413 -1.052 20 0 GAADMN C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC001603641193 1076286007 /nfs/dbraw/zinc/28/60/07/1076286007.db2.gz MJSGNIKWAVCDBP-VIFPVBQESA-N 0 1 394.413 -1.052 20 0 GAADMN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603676460 1076286559 /nfs/dbraw/zinc/28/65/59/1076286559.db2.gz FBDXEERPJLZCRT-KXUCPTDWSA-N 0 1 395.449 -1.725 20 0 GAADMN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603676461 1076286484 /nfs/dbraw/zinc/28/64/84/1076286484.db2.gz FBDXEERPJLZCRT-OPRDCNLKSA-N 0 1 395.449 -1.725 20 0 GAADMN C[C@@H](NS(C)(=O)=O)C(=O)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603676498 1076286981 /nfs/dbraw/zinc/28/69/81/1076286981.db2.gz GLTMTIMOXARSFX-CDAZIORVSA-N 0 1 381.422 -1.899 20 0 GAADMN C[C@H](NS(C)(=O)=O)C(=O)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603676499 1076286911 /nfs/dbraw/zinc/28/69/11/1076286911.db2.gz GLTMTIMOXARSFX-NWALNABHSA-N 0 1 381.422 -1.899 20 0 GAADMN C[C@H](NS(C)(=O)=O)C(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603676500 1076286890 /nfs/dbraw/zinc/28/68/90/1076286890.db2.gz GLTMTIMOXARSFX-TYRPZCRBSA-N 0 1 381.422 -1.899 20 0 GAADMN C[C@@H](NS(C)(=O)=O)C(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603676501 1076286899 /nfs/dbraw/zinc/28/68/99/1076286899.db2.gz GLTMTIMOXARSFX-ZBJFTSOASA-N 0 1 381.422 -1.899 20 0 GAADMN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603676526 1076287001 /nfs/dbraw/zinc/28/70/01/1076287001.db2.gz HIBXWSAJZCTIPE-CIUDSAMLSA-N 0 1 381.422 -1.925 20 0 GAADMN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603676527 1076287029 /nfs/dbraw/zinc/28/70/29/1076287029.db2.gz HIBXWSAJZCTIPE-IWSPIJDZSA-N 0 1 381.422 -1.925 20 0 GAADMN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001603676985 1076286933 /nfs/dbraw/zinc/28/69/33/1076286933.db2.gz OIWIODPNJYCYKW-SECBINFHSA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001603676987 1076287014 /nfs/dbraw/zinc/28/70/14/1076287014.db2.gz OIWIODPNJYCYKW-VIFPVBQESA-N 0 1 383.438 -1.723 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001603686015 1076287394 /nfs/dbraw/zinc/28/73/94/1076287394.db2.gz HZVQLCYKFCSWNR-GXSJLCMTSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001603686016 1076287417 /nfs/dbraw/zinc/28/74/17/1076287417.db2.gz HZVQLCYKFCSWNR-KOLCDFICSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001603686017 1076287471 /nfs/dbraw/zinc/28/74/71/1076287471.db2.gz HZVQLCYKFCSWNR-MWLCHTKSSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001603686018 1076287426 /nfs/dbraw/zinc/28/74/26/1076287426.db2.gz HZVQLCYKFCSWNR-ONGXEEELSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001603687573 1076287379 /nfs/dbraw/zinc/28/73/79/1076287379.db2.gz PPUHYYMGVMDRMZ-NXEZZACHSA-N 0 1 389.420 -1.382 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001603687574 1076287491 /nfs/dbraw/zinc/28/74/91/1076287491.db2.gz PPUHYYMGVMDRMZ-UWVGGRQHSA-N 0 1 389.420 -1.382 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001603687575 1076287448 /nfs/dbraw/zinc/28/74/48/1076287448.db2.gz PPUHYYMGVMDRMZ-VHSXEESVSA-N 0 1 389.420 -1.382 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001603687576 1076287346 /nfs/dbraw/zinc/28/73/46/1076287346.db2.gz PPUHYYMGVMDRMZ-ZJUUUORDSA-N 0 1 389.420 -1.382 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001603688001 1076287331 /nfs/dbraw/zinc/28/73/31/1076287331.db2.gz SHYAWQQUCGOFMR-GHMZBOCLSA-N 0 1 389.420 -1.238 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001603688006 1076287500 /nfs/dbraw/zinc/28/75/00/1076287500.db2.gz SHYAWQQUCGOFMR-MNOVXSKESA-N 0 1 389.420 -1.238 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001603688008 1076287866 /nfs/dbraw/zinc/28/78/66/1076287866.db2.gz SHYAWQQUCGOFMR-QWRGUYRKSA-N 0 1 389.420 -1.238 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001603688009 1076287845 /nfs/dbraw/zinc/28/78/45/1076287845.db2.gz SHYAWQQUCGOFMR-WDEREUQCSA-N 0 1 389.420 -1.238 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001603688045 1076287774 /nfs/dbraw/zinc/28/77/74/1076287774.db2.gz SMXIJNUTIPNOCR-BXKDBHETSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001603688049 1076287973 /nfs/dbraw/zinc/28/79/73/1076287973.db2.gz SMXIJNUTIPNOCR-CABZTGNLSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001603688052 1076287768 /nfs/dbraw/zinc/28/77/68/1076287768.db2.gz SMXIJNUTIPNOCR-JOYOIKCWSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001603688260 1076287827 /nfs/dbraw/zinc/28/78/27/1076287827.db2.gz SMXIJNUTIPNOCR-SKDRFNHKSA-N 0 1 385.392 -1.451 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001603688755 1076287922 /nfs/dbraw/zinc/28/79/22/1076287922.db2.gz XMIHXWPNCJUJHE-GHMZBOCLSA-N 0 1 388.388 -1.005 20 0 GAADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001603688758 1076287821 /nfs/dbraw/zinc/28/78/21/1076287821.db2.gz XMIHXWPNCJUJHE-MNOVXSKESA-N 0 1 388.388 -1.005 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001603688761 1076287760 /nfs/dbraw/zinc/28/77/60/1076287760.db2.gz XMIHXWPNCJUJHE-QWRGUYRKSA-N 0 1 388.388 -1.005 20 0 GAADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001603688762 1076287835 /nfs/dbraw/zinc/28/78/35/1076287835.db2.gz XMIHXWPNCJUJHE-WDEREUQCSA-N 0 1 388.388 -1.005 20 0 GAADMN C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001603691146 1076287784 /nfs/dbraw/zinc/28/77/84/1076287784.db2.gz SJBNHHOIKDAQLT-KRWDZBQOSA-N 0 1 397.399 -1.019 20 0 GAADMN C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001603691147 1076287804 /nfs/dbraw/zinc/28/78/04/1076287804.db2.gz SJBNHHOIKDAQLT-QGZVFWFLSA-N 0 1 397.399 -1.019 20 0 GAADMN CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)[NH+]1CCN(C)CC1 ZINC001603724902 1076288244 /nfs/dbraw/zinc/28/82/44/1076288244.db2.gz WLHQQLZBIZUWMQ-ILXRZTDVSA-N 0 1 384.477 -1.331 20 0 GAADMN CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1 ZINC001603724906 1076288446 /nfs/dbraw/zinc/28/84/46/1076288446.db2.gz WLHQQLZBIZUWMQ-KFWWJZLASA-N 0 1 384.477 -1.331 20 0 GAADMN CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1 ZINC001603724908 1076288415 /nfs/dbraw/zinc/28/84/15/1076288415.db2.gz WLHQQLZBIZUWMQ-KKUMJFAQSA-N 0 1 384.477 -1.331 20 0 GAADMN CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1 ZINC001603724910 1076288183 /nfs/dbraw/zinc/28/81/83/1076288183.db2.gz WLHQQLZBIZUWMQ-ZNMIVQPWSA-N 0 1 384.477 -1.331 20 0 GAADMN C[C@]1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001603738481 1076288388 /nfs/dbraw/zinc/28/83/88/1076288388.db2.gz PKRRYBFRKGKSPV-KRWDZBQOSA-N 0 1 388.432 -1.167 20 0 GAADMN C[C@@]1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001603738482 1076288754 /nfs/dbraw/zinc/28/87/54/1076288754.db2.gz PKRRYBFRKGKSPV-QGZVFWFLSA-N 0 1 388.432 -1.167 20 0 GAADMN C[C@@]1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CCNC(=O)C1 ZINC001603748409 1076289192 /nfs/dbraw/zinc/28/91/92/1076289192.db2.gz OZJSUOYNKWPQKQ-KCWFYHRYSA-N 0 1 387.404 -1.761 20 0 GAADMN C[C@]1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CCNC(=O)C1 ZINC001603748410 1076289143 /nfs/dbraw/zinc/28/91/43/1076289143.db2.gz OZJSUOYNKWPQKQ-LSYCYVAJSA-N 0 1 387.404 -1.761 20 0 GAADMN CC1(C)CN(C(=O)CCn2cnnn2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603780343 1076289675 /nfs/dbraw/zinc/28/96/75/1076289675.db2.gz JHRLNFQVJGUBCD-JTQLQIEISA-N 0 1 384.408 -1.196 20 0 GAADMN CC1(C)CN(C(=O)CCn2cnnn2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603780344 1076289544 /nfs/dbraw/zinc/28/95/44/1076289544.db2.gz JHRLNFQVJGUBCD-SNVBAGLBSA-N 0 1 384.408 -1.196 20 0 GAADMN CC1(C)CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603780528 1076289640 /nfs/dbraw/zinc/28/96/40/1076289640.db2.gz LVDCSQDRDQVIPR-JTQLQIEISA-N 0 1 392.445 -1.228 20 0 GAADMN CC1(C)CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603780529 1076289616 /nfs/dbraw/zinc/28/96/16/1076289616.db2.gz LVDCSQDRDQVIPR-SNVBAGLBSA-N 0 1 392.445 -1.228 20 0 GAADMN C[C@@]1(CNC(=O)[C@@H]2CNC(=O)N2)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001603802569 1076290114 /nfs/dbraw/zinc/29/01/14/1076290114.db2.gz REMOUZFGQFUMSA-BJOHPYRUSA-N 0 1 388.392 -1.950 20 0 GAADMN C[C@]1(CNC(=O)[C@H]2CNC(=O)N2)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001603802570 1076290109 /nfs/dbraw/zinc/29/01/09/1076290109.db2.gz REMOUZFGQFUMSA-PSLIRLAXSA-N 0 1 388.392 -1.950 20 0 GAADMN C[C@@]1(CNC(=O)[C@H]2CNC(=O)N2)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001603802571 1076290011 /nfs/dbraw/zinc/29/00/11/1076290011.db2.gz REMOUZFGQFUMSA-RFAUZJTJSA-N 0 1 388.392 -1.950 20 0 GAADMN C[C@]1(CNC(=O)[C@@H]2CNC(=O)N2)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001603802572 1076290086 /nfs/dbraw/zinc/29/00/86/1076290086.db2.gz REMOUZFGQFUMSA-VFZGTOFNSA-N 0 1 388.392 -1.950 20 0 GAADMN C[C@]1(NC(=O)C[C@H]2CC(=O)NC2=O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603812779 1076290064 /nfs/dbraw/zinc/29/00/64/1076290064.db2.gz CVSPKDSKAUFZPY-ABKXIKBNSA-N 0 1 385.388 -1.206 20 0 GAADMN C[C@]1(NC(=O)C[C@@H]2CC(=O)NC2=O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603812780 1076290021 /nfs/dbraw/zinc/29/00/21/1076290021.db2.gz CVSPKDSKAUFZPY-FVMDXXJSSA-N 0 1 385.388 -1.206 20 0 GAADMN C[C@@]1(NC(=O)C[C@H]2CC(=O)NC2=O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603812781 1076290037 /nfs/dbraw/zinc/29/00/37/1076290037.db2.gz CVSPKDSKAUFZPY-JDNHERCYSA-N 0 1 385.388 -1.206 20 0 GAADMN C[C@@]1(NC(=O)C[C@@H]2CC(=O)NC2=O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001603812782 1076289996 /nfs/dbraw/zinc/28/99/96/1076289996.db2.gz CVSPKDSKAUFZPY-XXFAHNHDSA-N 0 1 385.388 -1.206 20 0 GAADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001603839418 1076290734 /nfs/dbraw/zinc/29/07/34/1076290734.db2.gz XRUOYYJTQGTUGM-NXEZZACHSA-N 0 1 384.404 -1.169 20 0 GAADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001603839426 1076290774 /nfs/dbraw/zinc/29/07/74/1076290774.db2.gz XRUOYYJTQGTUGM-UWVGGRQHSA-N 0 1 384.404 -1.169 20 0 GAADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001603839427 1076291106 /nfs/dbraw/zinc/29/11/06/1076291106.db2.gz XRUOYYJTQGTUGM-VHSXEESVSA-N 0 1 384.404 -1.169 20 0 GAADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001603839428 1076291124 /nfs/dbraw/zinc/29/11/24/1076291124.db2.gz XRUOYYJTQGTUGM-ZJUUUORDSA-N 0 1 384.404 -1.169 20 0 GAADMN C[C@@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853731 1076291452 /nfs/dbraw/zinc/29/14/52/1076291452.db2.gz RYLOKBHIIPSUDT-NXEZZACHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001603853731 1076291449 /nfs/dbraw/zinc/29/14/49/1076291449.db2.gz RYLOKBHIIPSUDT-NXEZZACHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H]1C[C@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853731 1076291448 /nfs/dbraw/zinc/29/14/48/1076291448.db2.gz RYLOKBHIIPSUDT-NXEZZACHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853740 1076291503 /nfs/dbraw/zinc/29/15/03/1076291503.db2.gz RYLOKBHIIPSUDT-UWVGGRQHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001603853740 1076291501 /nfs/dbraw/zinc/29/15/01/1076291501.db2.gz RYLOKBHIIPSUDT-UWVGGRQHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H]1C[C@@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853740 1076291499 /nfs/dbraw/zinc/29/14/99/1076291499.db2.gz RYLOKBHIIPSUDT-UWVGGRQHSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853744 1076291478 /nfs/dbraw/zinc/29/14/78/1076291478.db2.gz RYLOKBHIIPSUDT-VHSXEESVSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001603853744 1076291477 /nfs/dbraw/zinc/29/14/77/1076291477.db2.gz RYLOKBHIIPSUDT-VHSXEESVSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@H]1C[C@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853744 1076291475 /nfs/dbraw/zinc/29/14/75/1076291475.db2.gz RYLOKBHIIPSUDT-VHSXEESVSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853748 1076291466 /nfs/dbraw/zinc/29/14/66/1076291466.db2.gz RYLOKBHIIPSUDT-ZJUUUORDSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001603853748 1076291464 /nfs/dbraw/zinc/29/14/64/1076291464.db2.gz RYLOKBHIIPSUDT-ZJUUUORDSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H]1C[C@@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853748 1076291462 /nfs/dbraw/zinc/29/14/62/1076291462.db2.gz RYLOKBHIIPSUDT-ZJUUUORDSA-N 0 1 377.409 -1.089 20 0 GAADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)CN1CCOCC1=O ZINC001603863272 1076291486 /nfs/dbraw/zinc/29/14/86/1076291486.db2.gz SEULMMHSMHKUNR-GHMZBOCLSA-N 0 1 387.404 -1.661 20 0 GAADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)CN1CCOCC1=O ZINC001603863273 1076291492 /nfs/dbraw/zinc/29/14/92/1076291492.db2.gz SEULMMHSMHKUNR-MNOVXSKESA-N 0 1 387.404 -1.661 20 0 GAADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)CN1CCOCC1=O ZINC001603863274 1076291440 /nfs/dbraw/zinc/29/14/40/1076291440.db2.gz SEULMMHSMHKUNR-QWRGUYRKSA-N 0 1 387.404 -1.661 20 0 GAADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)CN1CCOCC1=O ZINC001603863275 1076291656 /nfs/dbraw/zinc/29/16/56/1076291656.db2.gz SEULMMHSMHKUNR-WDEREUQCSA-N 0 1 387.404 -1.661 20 0 GAADMN C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001603895869 1076291951 /nfs/dbraw/zinc/29/19/51/1076291951.db2.gz MBYBVIBTBUJMSY-NEPJUHHUSA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@H]1CCCN(C(=O)C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001603895873 1076291988 /nfs/dbraw/zinc/29/19/88/1076291988.db2.gz MBYBVIBTBUJMSY-NWDGAFQWSA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001603895876 1076291943 /nfs/dbraw/zinc/29/19/43/1076291943.db2.gz MBYBVIBTBUJMSY-RYUDHWBXSA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001603895879 1076292051 /nfs/dbraw/zinc/29/20/51/1076292051.db2.gz MBYBVIBTBUJMSY-VXGBXAGGSA-N 0 1 388.432 -1.169 20 0 GAADMN C[C@H]1CCC[N@H+]1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001603899780 1076292300 /nfs/dbraw/zinc/29/23/00/1076292300.db2.gz ORPURDNZUFBPCZ-JTQLQIEISA-N 0 1 377.409 -1.088 20 0 GAADMN C[C@H]1CCC[N@@H+]1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001603899780 1076292296 /nfs/dbraw/zinc/29/22/96/1076292296.db2.gz ORPURDNZUFBPCZ-JTQLQIEISA-N 0 1 377.409 -1.088 20 0 GAADMN C[C@H]1CCC[N@H+]1CCNC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603899780 1076292292 /nfs/dbraw/zinc/29/22/92/1076292292.db2.gz ORPURDNZUFBPCZ-JTQLQIEISA-N 0 1 377.409 -1.088 20 0 GAADMN C[C@@H]1CCC[N@H+]1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001603899781 1076292177 /nfs/dbraw/zinc/29/21/77/1076292177.db2.gz ORPURDNZUFBPCZ-SNVBAGLBSA-N 0 1 377.409 -1.088 20 0 GAADMN C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001603899781 1076292175 /nfs/dbraw/zinc/29/21/75/1076292175.db2.gz ORPURDNZUFBPCZ-SNVBAGLBSA-N 0 1 377.409 -1.088 20 0 GAADMN C[C@@H]1CCC[N@H+]1CCNC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603899781 1076292172 /nfs/dbraw/zinc/29/21/72/1076292172.db2.gz ORPURDNZUFBPCZ-SNVBAGLBSA-N 0 1 377.409 -1.088 20 0 GAADMN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001603905755 1076292264 /nfs/dbraw/zinc/29/22/64/1076292264.db2.gz MLVFDLKVFIQUFN-LERXQTSPSA-N 0 1 388.432 -1.162 20 0 GAADMN C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001603905756 1076292323 /nfs/dbraw/zinc/29/23/23/1076292323.db2.gz MLVFDLKVFIQUFN-ZLKJLUDKSA-N 0 1 388.432 -1.162 20 0 GAADMN CC1CC[NH+](CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001603906004 1076292227 /nfs/dbraw/zinc/29/22/27/1076292227.db2.gz SCQFCSGRNHNUEI-GFCCVEGCSA-N 0 1 375.437 -1.301 20 0 GAADMN CC1CC[NH+](CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001603906005 1076292383 /nfs/dbraw/zinc/29/23/83/1076292383.db2.gz SCQFCSGRNHNUEI-LBPRGKRZSA-N 0 1 375.437 -1.301 20 0 GAADMN C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CCN1 ZINC001603914571 1076292556 /nfs/dbraw/zinc/29/25/56/1076292556.db2.gz XHAQELDOMBWOMY-GFCCVEGCSA-N 0 1 385.432 -1.269 20 0 GAADMN C[C@H]1CN(C(=O)C(N)=O)CC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)O1 ZINC001603918024 1076292567 /nfs/dbraw/zinc/29/25/67/1076292567.db2.gz BJLHILQIXDZKGJ-JTQLQIEISA-N 0 1 387.404 -1.272 20 0 GAADMN C[C@@H]1CN(C(=O)C(N)=O)CC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)O1 ZINC001603918025 1076292575 /nfs/dbraw/zinc/29/25/75/1076292575.db2.gz BJLHILQIXDZKGJ-SNVBAGLBSA-N 0 1 387.404 -1.272 20 0 GAADMN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603918217 1076292646 /nfs/dbraw/zinc/29/26/46/1076292646.db2.gz DDXRNQYNWXBMKA-RNCFNFMXSA-N 0 1 384.400 -1.005 20 0 GAADMN C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603918219 1076292672 /nfs/dbraw/zinc/29/26/72/1076292672.db2.gz DDXRNQYNWXBMKA-TVQRCGJNSA-N 0 1 384.400 -1.005 20 0 GAADMN C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603918222 1076292627 /nfs/dbraw/zinc/29/26/27/1076292627.db2.gz DDXRNQYNWXBMKA-ZANVPECISA-N 0 1 384.400 -1.005 20 0 GAADMN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603921196 1076292895 /nfs/dbraw/zinc/29/28/95/1076292895.db2.gz KEBGFOYGNKERPU-UWVGGRQHSA-N 0 1 392.445 -1.370 20 0 GAADMN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603921197 1076293008 /nfs/dbraw/zinc/29/30/08/1076293008.db2.gz KEBGFOYGNKERPU-VHSXEESVSA-N 0 1 392.445 -1.370 20 0 GAADMN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001603921198 1076292986 /nfs/dbraw/zinc/29/29/86/1076292986.db2.gz KEBGFOYGNKERPU-ZJUUUORDSA-N 0 1 392.445 -1.370 20 0 GAADMN C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603922050 1076293043 /nfs/dbraw/zinc/29/30/43/1076293043.db2.gz WWVLUYBTRAJRHI-NXEZZACHSA-N 0 1 378.393 -1.958 20 0 GAADMN C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603922052 1076292851 /nfs/dbraw/zinc/29/28/51/1076292851.db2.gz WWVLUYBTRAJRHI-UWVGGRQHSA-N 0 1 378.393 -1.958 20 0 GAADMN C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001603922054 1076292937 /nfs/dbraw/zinc/29/29/37/1076292937.db2.gz WWVLUYBTRAJRHI-VHSXEESVSA-N 0 1 378.393 -1.958 20 0 GAADMN C[C@@H]1CN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)[C@@H](C)C[N@H+]1CCO ZINC001603922055 1076293059 /nfs/dbraw/zinc/29/30/59/1076293059.db2.gz WWVLUYBTRAJRHI-ZJUUUORDSA-N 0 1 378.393 -1.958 20 0 GAADMN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603922077 1076293308 /nfs/dbraw/zinc/29/33/08/1076293308.db2.gz WLHPNRNFACPJMV-BDAKNGLRSA-N 0 1 386.376 -2.111 20 0 GAADMN C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603922080 1076293303 /nfs/dbraw/zinc/29/33/03/1076293303.db2.gz WLHPNRNFACPJMV-DTWKUNHWSA-N 0 1 386.376 -2.111 20 0 GAADMN C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603922081 1076293339 /nfs/dbraw/zinc/29/33/39/1076293339.db2.gz WLHPNRNFACPJMV-IUCAKERBSA-N 0 1 386.376 -2.111 20 0 GAADMN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001603922082 1076293334 /nfs/dbraw/zinc/29/33/34/1076293334.db2.gz WLHPNRNFACPJMV-RKDXNWHRSA-N 0 1 386.376 -2.111 20 0 GAADMN C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603922391 1076293348 /nfs/dbraw/zinc/29/33/48/1076293348.db2.gz YLPRNFVXINBZDA-FZMZJTMJSA-N 0 1 385.432 -1.626 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603922392 1076293291 /nfs/dbraw/zinc/29/32/91/1076293291.db2.gz YLPRNFVXINBZDA-RISCZKNCSA-N 0 1 385.432 -1.626 20 0 GAADMN C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001603922393 1076293346 /nfs/dbraw/zinc/29/33/46/1076293346.db2.gz YLPRNFVXINBZDA-SMDDNHRTSA-N 0 1 385.432 -1.626 20 0 GAADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001603941952 1076293768 /nfs/dbraw/zinc/29/37/68/1076293768.db2.gz XARWDJNZJHVMRZ-MNOVXSKESA-N 0 1 386.420 -1.828 20 0 GAADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001603941952 1076293764 /nfs/dbraw/zinc/29/37/64/1076293764.db2.gz XARWDJNZJHVMRZ-MNOVXSKESA-N 0 1 386.420 -1.828 20 0 GAADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001603941953 1076293575 /nfs/dbraw/zinc/29/35/75/1076293575.db2.gz XARWDJNZJHVMRZ-QWRGUYRKSA-N 0 1 386.420 -1.828 20 0 GAADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001603941953 1076293568 /nfs/dbraw/zinc/29/35/68/1076293568.db2.gz XARWDJNZJHVMRZ-QWRGUYRKSA-N 0 1 386.420 -1.828 20 0 GAADMN C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001603944956 1076293554 /nfs/dbraw/zinc/29/35/54/1076293554.db2.gz GOUIJXJMBPOMBE-GFCCVEGCSA-N 0 1 385.432 -1.269 20 0 GAADMN C[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001603944959 1076293797 /nfs/dbraw/zinc/29/37/97/1076293797.db2.gz GOUIJXJMBPOMBE-LBPRGKRZSA-N 0 1 385.432 -1.269 20 0 GAADMN C[C@H]1COCC[N@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001603949295 1076294088 /nfs/dbraw/zinc/29/40/88/1076294088.db2.gz SNWZMPDWBNVWSN-JTQLQIEISA-N 0 1 376.421 -1.057 20 0 GAADMN C[C@H]1COCC[N@@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001603949295 1076294085 /nfs/dbraw/zinc/29/40/85/1076294085.db2.gz SNWZMPDWBNVWSN-JTQLQIEISA-N 0 1 376.421 -1.057 20 0 GAADMN C[C@H]1COCC[N@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001603949295 1076294079 /nfs/dbraw/zinc/29/40/79/1076294079.db2.gz SNWZMPDWBNVWSN-JTQLQIEISA-N 0 1 376.421 -1.057 20 0 GAADMN C[C@@H]1COCC[N@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001603949299 1076294128 /nfs/dbraw/zinc/29/41/28/1076294128.db2.gz SNWZMPDWBNVWSN-SNVBAGLBSA-N 0 1 376.421 -1.057 20 0 GAADMN C[C@@H]1COCC[N@@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001603949299 1076294123 /nfs/dbraw/zinc/29/41/23/1076294123.db2.gz SNWZMPDWBNVWSN-SNVBAGLBSA-N 0 1 376.421 -1.057 20 0 GAADMN C[C@@H]1COCC[N@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001603949299 1076294119 /nfs/dbraw/zinc/29/41/19/1076294119.db2.gz SNWZMPDWBNVWSN-SNVBAGLBSA-N 0 1 376.421 -1.057 20 0 GAADMN CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001603969864 1076293945 /nfs/dbraw/zinc/29/39/45/1076293945.db2.gz CIWARYNJTNRFCV-IVZWLZJFSA-N 0 1 375.393 -1.763 20 0 GAADMN CCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001603969865 1076294010 /nfs/dbraw/zinc/29/40/10/1076294010.db2.gz CIWARYNJTNRFCV-OPRDCNLKSA-N 0 1 375.393 -1.763 20 0 GAADMN CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001603970124 1076293974 /nfs/dbraw/zinc/29/39/74/1076293974.db2.gz NKLAXVAJXIWKJK-GHMZBOCLSA-N 0 1 389.420 -1.107 20 0 GAADMN 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/nfs/dbraw/zinc/30/69/68/1076306968.db2.gz MTBWOSYUIWPFBW-PXAZEXFGSA-N 0 1 382.417 -1.889 20 0 GAADMN C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001604647264 1076307055 /nfs/dbraw/zinc/30/70/55/1076307055.db2.gz MTBWOSYUIWPFBW-SJCJKPOMSA-N 0 1 382.417 -1.889 20 0 GAADMN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001604647265 1076307012 /nfs/dbraw/zinc/30/70/12/1076307012.db2.gz MTBWOSYUIWPFBW-SJKOYZFVSA-N 0 1 382.417 -1.889 20 0 GAADMN C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001604647366 1076306971 /nfs/dbraw/zinc/30/69/71/1076306971.db2.gz MTBWOSYUIWPFBW-YVEFUNNKSA-N 0 1 382.417 -1.889 20 0 GAADMN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)O1 ZINC001604666102 1076308028 /nfs/dbraw/zinc/30/80/28/1076308028.db2.gz JEAHJEXJLIDLGT-NXEZZACHSA-N 0 1 378.397 -1.607 20 0 GAADMN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)O1 ZINC001604666103 1076307954 /nfs/dbraw/zinc/30/79/54/1076307954.db2.gz JEAHJEXJLIDLGT-UWVGGRQHSA-N 0 1 378.397 -1.607 20 0 GAADMN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)O1 ZINC001604666104 1076307908 /nfs/dbraw/zinc/30/79/08/1076307908.db2.gz JEAHJEXJLIDLGT-VHSXEESVSA-N 0 1 378.397 -1.607 20 0 GAADMN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)O1 ZINC001604666105 1076307780 /nfs/dbraw/zinc/30/77/80/1076307780.db2.gz JEAHJEXJLIDLGT-ZJUUUORDSA-N 0 1 378.397 -1.607 20 0 GAADMN CN(C)CC(=O)N1CCN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 ZINC001604677234 1076308372 /nfs/dbraw/zinc/30/83/72/1076308372.db2.gz JNGOIWHULIEKOE-UHFFFAOYSA-N 0 1 380.434 -1.344 20 0 GAADMN C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001604683493 1076308440 /nfs/dbraw/zinc/30/84/40/1076308440.db2.gz HCCOESKLLQFLRN-LLVKDONJSA-N 0 1 392.420 -1.302 20 0 GAADMN C[NH+](C)CCC[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001604683496 1076308322 /nfs/dbraw/zinc/30/83/22/1076308322.db2.gz HCCOESKLLQFLRN-NSHDSACASA-N 0 1 392.420 -1.302 20 0 GAADMN CN(CCC[NH+](C)C)CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001604685758 1076308256 /nfs/dbraw/zinc/30/82/56/1076308256.db2.gz DYAVLQJZBGPAKX-UHFFFAOYSA-N 0 1 379.425 -1.871 20 0 GAADMN C[NH+](C)CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001604686605 1076308470 /nfs/dbraw/zinc/30/84/70/1076308470.db2.gz QRCSQNOXPKMBMY-LLVKDONJSA-N 0 1 397.465 -1.574 20 0 GAADMN C[NH+](C)CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001604686606 1076308276 /nfs/dbraw/zinc/30/82/76/1076308276.db2.gz QRCSQNOXPKMBMY-NSHDSACASA-N 0 1 397.465 -1.574 20 0 GAADMN CN(C)CCN(CCOCCO)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001604686919 1076308192 /nfs/dbraw/zinc/30/81/92/1076308192.db2.gz TUVFFTBMAUKREE-UHFFFAOYSA-N 0 1 385.450 -1.177 20 0 GAADMN CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001604690606 1076308925 /nfs/dbraw/zinc/30/89/25/1076308925.db2.gz BKGBYCGOCWDJSK-UHFFFAOYSA-N 0 1 388.435 -1.969 20 0 GAADMN CN(C)S(=O)(=O)NCC(=O)NCCCNc1ccncc1-c1nn[nH]n1 ZINC001604691134 1076308885 /nfs/dbraw/zinc/30/88/85/1076308885.db2.gz GWCMSOZQOYVAHF-UHFFFAOYSA-N 0 1 383.438 -2.002 20 0 GAADMN CN(C)S(=O)(=O)N1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001604691347 1076308653 /nfs/dbraw/zinc/30/86/53/1076308653.db2.gz KMNVFAOTBCTVOR-UHFFFAOYSA-N 0 1 399.441 -2.408 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604691516 1076308725 /nfs/dbraw/zinc/30/87/25/1076308725.db2.gz IQGYFSKESYVZCA-KYZUINATSA-N 0 1 381.422 -1.971 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001604693076 1076309191 /nfs/dbraw/zinc/30/91/91/1076309191.db2.gz YAUJDAIPESKXQV-ARJAWSKDSA-N 0 1 381.422 -1.946 20 0 GAADMN CN(C)S(=O)(=O)CC(=O)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001604693079 1076309239 /nfs/dbraw/zinc/30/92/39/1076309239.db2.gz YAUJDAIPESKXQV-ONEGZZNKSA-N 0 1 381.422 -1.946 20 0 GAADMN CN(C)c1ccc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001604700061 1076309792 /nfs/dbraw/zinc/30/97/92/1076309792.db2.gz BDNWYWBPVYBQLJ-LLVKDONJSA-N 0 1 384.404 -1.258 20 0 GAADMN CN(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001604700066 1076309557 /nfs/dbraw/zinc/30/95/57/1076309557.db2.gz BDNWYWBPVYBQLJ-NSHDSACASA-N 0 1 384.404 -1.258 20 0 GAADMN C[N@@H+](CC(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1)[C@@H]1CCSC1 ZINC001604708886 1076309758 /nfs/dbraw/zinc/30/97/58/1076309758.db2.gz UMPLTRJAHSLUOG-SECBINFHSA-N 0 1 392.445 -1.050 20 0 GAADMN C[N@@H+](CC(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1)[C@H]1CCSC1 ZINC001604708888 1076309522 /nfs/dbraw/zinc/30/95/22/1076309522.db2.gz UMPLTRJAHSLUOG-VIFPVBQESA-N 0 1 392.445 -1.050 20 0 GAADMN CN(CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC001604710079 1076309665 /nfs/dbraw/zinc/30/96/65/1076309665.db2.gz OGGPVRUPHSBUMZ-UHFFFAOYSA-N 0 1 380.434 -1.364 20 0 GAADMN CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)CCc1c[nH]nn1 ZINC001604718507 1076310306 /nfs/dbraw/zinc/31/03/06/1076310306.db2.gz UUOWRHMENGRLIC-LLVKDONJSA-N 0 1 387.408 -1.337 20 0 GAADMN CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)CCc1c[nH]nn1 ZINC001604718514 1076310142 /nfs/dbraw/zinc/31/01/42/1076310142.db2.gz UUOWRHMENGRLIC-NSHDSACASA-N 0 1 387.408 -1.337 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCNC1=O ZINC001604718806 1076309979 /nfs/dbraw/zinc/30/99/79/1076309979.db2.gz CGVRBETZDGMXNG-JTQLQIEISA-N 0 1 390.408 -2.275 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CN1CCCNC1=O ZINC001604718807 1076310051 /nfs/dbraw/zinc/31/00/51/1076310051.db2.gz CGVRBETZDGMXNG-SNVBAGLBSA-N 0 1 390.408 -2.275 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCC(=O)NC1 ZINC001604718846 1076310616 /nfs/dbraw/zinc/31/06/16/1076310616.db2.gz DRZQDXIUFKSOJC-GHMZBOCLSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@H]1CCC(=O)NC1 ZINC001604718847 1076310643 /nfs/dbraw/zinc/31/06/43/1076310643.db2.gz DRZQDXIUFKSOJC-MNOVXSKESA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001604718848 1076310472 /nfs/dbraw/zinc/31/04/72/1076310472.db2.gz DRZQDXIUFKSOJC-QWRGUYRKSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001604718849 1076310634 /nfs/dbraw/zinc/31/06/34/1076310634.db2.gz DRZQDXIUFKSOJC-WDEREUQCSA-N 0 1 389.420 -1.774 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnn2c1CCC2 ZINC001604718872 1076310527 /nfs/dbraw/zinc/31/05/27/1076310527.db2.gz FEGGYHQOKCGKPD-JTQLQIEISA-N 0 1 384.404 -1.234 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)c1cnn2c1CCC2 ZINC001604718873 1076310511 /nfs/dbraw/zinc/31/05/11/1076310511.db2.gz FEGGYHQOKCGKPD-SNVBAGLBSA-N 0 1 384.404 -1.234 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001604718888 1076310763 /nfs/dbraw/zinc/31/07/63/1076310763.db2.gz GACBEVYWPNWIRJ-FRRDWIJNSA-N 0 1 398.431 -1.153 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001604718889 1076310595 /nfs/dbraw/zinc/31/05/95/1076310595.db2.gz GACBEVYWPNWIRJ-RWMBFGLXSA-N 0 1 398.431 -1.153 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001604718912 1076310665 /nfs/dbraw/zinc/31/06/65/1076310665.db2.gz HBOWBVUIGHFBBB-GFCCVEGCSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[N@H+](C)C1CCC1 ZINC001604718912 1076310664 /nfs/dbraw/zinc/31/06/64/1076310664.db2.gz HBOWBVUIGHFBBB-GFCCVEGCSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001604718912 1076310659 /nfs/dbraw/zinc/31/06/59/1076310659.db2.gz HBOWBVUIGHFBBB-GFCCVEGCSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001604718913 1076310547 /nfs/dbraw/zinc/31/05/47/1076310547.db2.gz HBOWBVUIGHFBBB-LBPRGKRZSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C[N@H+](C)C1CCC1 ZINC001604718913 1076310543 /nfs/dbraw/zinc/31/05/43/1076310543.db2.gz HBOWBVUIGHFBBB-LBPRGKRZSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nnn[n-]2)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001604718913 1076310538 /nfs/dbraw/zinc/31/05/38/1076310538.db2.gz HBOWBVUIGHFBBB-LBPRGKRZSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cncn1C ZINC001604718920 1076310693 /nfs/dbraw/zinc/31/06/93/1076310693.db2.gz HGMVMEHTZZDXNV-GFCCVEGCSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)CCc1cncn1C ZINC001604718921 1076310490 /nfs/dbraw/zinc/31/04/90/1076310490.db2.gz HGMVMEHTZZDXNV-LBPRGKRZSA-N 0 1 386.420 -1.324 20 0 GAADMN CN(C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1([NH+](C)C)CCC1 ZINC001604718968 1076311106 /nfs/dbraw/zinc/31/11/06/1076311106.db2.gz IXEKVTGFNIMFDB-LLVKDONJSA-N 0 1 375.437 -1.206 20 0 GAADMN CN(C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1([NH+](C)C)CCC1 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GAADMN C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001604849091 1076321900 /nfs/dbraw/zinc/32/19/00/1076321900.db2.gz PMQQCWHNQPFYEQ-ZDUSSCGKSA-N 0 1 386.464 -1.153 20 0 GAADMN CN1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1=O ZINC001604849455 1076321601 /nfs/dbraw/zinc/32/16/01/1076321601.db2.gz SPCJJFRBFASCQX-FIQHERPVSA-N 0 1 383.416 -1.067 20 0 GAADMN CN1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1=O ZINC001604849456 1076321807 /nfs/dbraw/zinc/32/18/07/1076321807.db2.gz SPCJJFRBFASCQX-KKOKHZNYSA-N 0 1 383.416 -1.067 20 0 GAADMN CN1CC[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CC1=O ZINC001604849541 1076322010 /nfs/dbraw/zinc/32/20/10/1076322010.db2.gz VUJYDIMLRYISSY-AXFHLTTASA-N 0 1 387.404 -1.809 20 0 GAADMN CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CC1=O ZINC001604849542 1076322048 /nfs/dbraw/zinc/32/20/48/1076322048.db2.gz VUJYDIMLRYISSY-MXWKQRLJSA-N 0 1 387.404 -1.809 20 0 GAADMN C[NH+]1CCC(CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001604849951 1076322235 /nfs/dbraw/zinc/32/22/35/1076322235.db2.gz UKWRMTUJIRQNFG-GFCCVEGCSA-N 0 1 375.437 -1.301 20 0 GAADMN C[NH+]1CCC(CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001604849952 1076322182 /nfs/dbraw/zinc/32/21/82/1076322182.db2.gz UKWRMTUJIRQNFG-LBPRGKRZSA-N 0 1 375.437 -1.301 20 0 GAADMN C[NH+]1CCC(CC(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001604854408 1076322198 /nfs/dbraw/zinc/32/21/98/1076322198.db2.gz OQGCIISJXABREU-GFCCVEGCSA-N 0 1 375.437 -1.301 20 0 GAADMN C[NH+]1CCC(CC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001604854409 1076322729 /nfs/dbraw/zinc/32/27/29/1076322729.db2.gz OQGCIISJXABREU-LBPRGKRZSA-N 0 1 375.437 -1.301 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001604856213 1076322601 /nfs/dbraw/zinc/32/26/01/1076322601.db2.gz VZFRRCBLSDIDCI-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001604856213 1076322597 /nfs/dbraw/zinc/32/25/97/1076322597.db2.gz VZFRRCBLSDIDCI-LLVKDONJSA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001604856214 1076322825 /nfs/dbraw/zinc/32/28/25/1076322825.db2.gz VZFRRCBLSDIDCI-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001604856214 1076322819 /nfs/dbraw/zinc/32/28/19/1076322819.db2.gz VZFRRCBLSDIDCI-NSHDSACASA-N 0 1 391.436 -1.344 20 0 GAADMN C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC001604856411 1076322808 /nfs/dbraw/zinc/32/28/08/1076322808.db2.gz YBGFSWIEKFQFJM-INIZCTEOSA-N 0 1 391.436 -1.061 20 0 GAADMN C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC001604856411 1076322804 /nfs/dbraw/zinc/32/28/04/1076322804.db2.gz YBGFSWIEKFQFJM-INIZCTEOSA-N 0 1 391.436 -1.061 20 0 GAADMN C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC001604856411 1076322800 /nfs/dbraw/zinc/32/28/00/1076322800.db2.gz YBGFSWIEKFQFJM-INIZCTEOSA-N 0 1 391.436 -1.061 20 0 GAADMN C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC001604856411 1076322797 /nfs/dbraw/zinc/32/27/97/1076322797.db2.gz YBGFSWIEKFQFJM-INIZCTEOSA-N 0 1 391.436 -1.061 20 0 GAADMN C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC001604856418 1076322493 /nfs/dbraw/zinc/32/24/93/1076322493.db2.gz YBGFSWIEKFQFJM-MRXNPFEDSA-N 0 1 391.436 -1.061 20 0 GAADMN C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC001604856418 1076322486 /nfs/dbraw/zinc/32/24/86/1076322486.db2.gz YBGFSWIEKFQFJM-MRXNPFEDSA-N 0 1 391.436 -1.061 20 0 GAADMN C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC001604856418 1076322481 /nfs/dbraw/zinc/32/24/81/1076322481.db2.gz YBGFSWIEKFQFJM-MRXNPFEDSA-N 0 1 391.436 -1.061 20 0 GAADMN C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC001604856418 1076322476 /nfs/dbraw/zinc/32/24/76/1076322476.db2.gz YBGFSWIEKFQFJM-MRXNPFEDSA-N 0 1 391.436 -1.061 20 0 GAADMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCn3cnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001604859114 1076322520 /nfs/dbraw/zinc/32/25/20/1076322520.db2.gz YZOXWPXQUVKOKQ-CYBMUJFWSA-N 0 1 389.468 -1.120 20 0 GAADMN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCn3cnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001604859114 1076322513 /nfs/dbraw/zinc/32/25/13/1076322513.db2.gz YZOXWPXQUVKOKQ-CYBMUJFWSA-N 0 1 389.468 -1.120 20 0 GAADMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCn3cnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001604859114 1076322507 /nfs/dbraw/zinc/32/25/07/1076322507.db2.gz YZOXWPXQUVKOKQ-CYBMUJFWSA-N 0 1 389.468 -1.120 20 0 GAADMN C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCn3cnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001604859127 1076322703 /nfs/dbraw/zinc/32/27/03/1076322703.db2.gz YZOXWPXQUVKOKQ-ZDUSSCGKSA-N 0 1 389.468 -1.120 20 0 GAADMN C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCn3cnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001604859127 1076322696 /nfs/dbraw/zinc/32/26/96/1076322696.db2.gz YZOXWPXQUVKOKQ-ZDUSSCGKSA-N 0 1 389.468 -1.120 20 0 GAADMN C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCn3cnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001604859127 1076322691 /nfs/dbraw/zinc/32/26/91/1076322691.db2.gz YZOXWPXQUVKOKQ-ZDUSSCGKSA-N 0 1 389.468 -1.120 20 0 GAADMN CN1CCC[N@@H+](CCCNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001604861675 1076322577 /nfs/dbraw/zinc/32/25/77/1076322577.db2.gz NYVHERBZWKDAEC-UHFFFAOYSA-N 0 1 391.436 -1.727 20 0 GAADMN CN1CCC[N@H+](CCCNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001604861675 1076322573 /nfs/dbraw/zinc/32/25/73/1076322573.db2.gz NYVHERBZWKDAEC-UHFFFAOYSA-N 0 1 391.436 -1.727 20 0 GAADMN C[N@H+]1CCCN(CCCNC(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001604861675 1076322568 /nfs/dbraw/zinc/32/25/68/1076322568.db2.gz NYVHERBZWKDAEC-UHFFFAOYSA-N 0 1 391.436 -1.727 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(NCCCN2CCC[N@@H+](C)CC2)n(C)c1=O ZINC001604861732 1076322429 /nfs/dbraw/zinc/32/24/29/1076322429.db2.gz VHYVLHMVPNNUBJ-UHFFFAOYSA-N 0 1 377.453 -1.296 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(NCCCN2CCC[N@H+](C)CC2)n(C)c1=O ZINC001604861732 1076322424 /nfs/dbraw/zinc/32/24/24/1076322424.db2.gz VHYVLHMVPNNUBJ-UHFFFAOYSA-N 0 1 377.453 -1.296 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(NCCC[N@H+]2CCCN(C)CC2)n(C)c1=O ZINC001604861732 1076322420 /nfs/dbraw/zinc/32/24/20/1076322420.db2.gz VHYVLHMVPNNUBJ-UHFFFAOYSA-N 0 1 377.453 -1.296 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(NCCC[N@@H+]2CCCN(C)CC2)n(C)c1=O ZINC001604861732 1076322416 /nfs/dbraw/zinc/32/24/16/1076322416.db2.gz VHYVLHMVPNNUBJ-UHFFFAOYSA-N 0 1 377.453 -1.296 20 0 GAADMN Cn1c(=O)c(-c2nnn[n-]2)c(NCCC[N@H+]2CCCN(C)CC2)n(C)c1=O ZINC001604861732 1076322412 /nfs/dbraw/zinc/32/24/12/1076322412.db2.gz VHYVLHMVPNNUBJ-UHFFFAOYSA-N 0 1 377.453 -1.296 20 0 GAADMN CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)CC1=O ZINC001604862297 1076322549 /nfs/dbraw/zinc/32/25/49/1076322549.db2.gz BNRQXRYZVFJVCW-UHFFFAOYSA-N 0 1 396.371 -1.314 20 0 GAADMN C[N@H+]1CCC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001604863242 1076323049 /nfs/dbraw/zinc/32/30/49/1076323049.db2.gz XXAXLMAJQFQUDO-VIFPVBQESA-N 0 1 375.393 -1.211 20 0 GAADMN C[N@@H+]1CCC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001604863242 1076323044 /nfs/dbraw/zinc/32/30/44/1076323044.db2.gz XXAXLMAJQFQUDO-VIFPVBQESA-N 0 1 375.393 -1.211 20 0 GAADMN C[N@H+]1CCC[C@H]1CNC(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001604863242 1076323043 /nfs/dbraw/zinc/32/30/43/1076323043.db2.gz XXAXLMAJQFQUDO-VIFPVBQESA-N 0 1 375.393 -1.211 20 0 GAADMN CN1CC[NH+](C2CCN(c3[nH]c(=O)n(C)c(=O)c3-c3nn[n-]n3)CC2)CC1 ZINC001604865598 1076323140 /nfs/dbraw/zinc/32/31/40/1076323140.db2.gz BJOHXMWJGYQAOP-UHFFFAOYSA-N 0 1 375.437 -1.530 20 0 GAADMN CN1CCN(C)[C@H](CNC(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001604865699 1076322999 /nfs/dbraw/zinc/32/29/99/1076322999.db2.gz IDLASPQUGUAUQO-CYBMUJFWSA-N 0 1 390.423 -1.016 20 0 GAADMN CN1CCN(C)[C@@H](CNC(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001604865700 1076322982 /nfs/dbraw/zinc/32/29/82/1076322982.db2.gz IDLASPQUGUAUQO-ZDUSSCGKSA-N 0 1 390.423 -1.016 20 0 GAADMN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)C1 ZINC001604865875 1076322968 /nfs/dbraw/zinc/32/29/68/1076322968.db2.gz QNDPQIKSILFFDL-CVEARBPZSA-N 0 1 398.471 -1.188 20 0 GAADMN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)C1 ZINC001604865876 1076323088 /nfs/dbraw/zinc/32/30/88/1076323088.db2.gz QNDPQIKSILFFDL-HOTGVXAUSA-N 0 1 398.471 -1.188 20 0 GAADMN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)C1 ZINC001604865877 1076323083 /nfs/dbraw/zinc/32/30/83/1076323083.db2.gz QNDPQIKSILFFDL-HZPDHXFCSA-N 0 1 398.471 -1.188 20 0 GAADMN CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)C1 ZINC001604865878 1076323096 /nfs/dbraw/zinc/32/30/96/1076323096.db2.gz QNDPQIKSILFFDL-JKSUJKDBSA-N 0 1 398.471 -1.188 20 0 GAADMN CN1CC[NH+](CCCCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001604866454 1076323567 /nfs/dbraw/zinc/32/35/67/1076323567.db2.gz WOKKOQBNSUFQCE-UHFFFAOYSA-N 0 1 391.436 -1.727 20 0 GAADMN CN1CC[NH+](CC2CCN(c3[nH]c(=O)n(C)c(=O)c3-c3nn[n-]n3)CC2)CC1 ZINC001604866464 1076323373 /nfs/dbraw/zinc/32/33/73/1076323373.db2.gz XASCEERAYLMRSF-UHFFFAOYSA-N 0 1 389.464 -1.283 20 0 GAADMN CNC(=O)C1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001604873104 1076324148 /nfs/dbraw/zinc/32/41/48/1076324148.db2.gz BNUAPJAYLHBRPV-UHFFFAOYSA-N 0 1 389.420 -1.772 20 0 GAADMN CNC(=O)C1(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2O)CC1 ZINC001604874913 1076324692 /nfs/dbraw/zinc/32/46/92/1076324692.db2.gz FWWBYCVZDVJQBU-DGCLKSJQSA-N 0 1 386.416 -1.238 20 0 GAADMN CNC(=O)C1(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CCC1 ZINC001604876251 1076325058 /nfs/dbraw/zinc/32/50/58/1076325058.db2.gz VZYYBAFYJAIGAS-LLVKDONJSA-N 0 1 388.432 -1.203 20 0 GAADMN CNC(=O)C1(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CCC1 ZINC001604876252 1076325101 /nfs/dbraw/zinc/32/51/01/1076325101.db2.gz VZYYBAFYJAIGAS-NSHDSACASA-N 0 1 388.432 -1.203 20 0 GAADMN CNC(=O)CC(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001604878249 1076325471 /nfs/dbraw/zinc/32/54/71/1076325471.db2.gz LVAFAEQLWBQIKW-UHFFFAOYSA-N 0 1 392.376 -1.509 20 0 GAADMN CNC(=O)CCN(C)C(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001604879681 1076325859 /nfs/dbraw/zinc/32/58/59/1076325859.db2.gz ALJJJUHJDNACGF-UHFFFAOYSA-N 0 1 398.387 -1.020 20 0 GAADMN CNC(=O)CCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001604880452 1076325982 /nfs/dbraw/zinc/32/59/82/1076325982.db2.gz VNINWVISUUKEOX-LLVKDONJSA-N 0 1 389.420 -1.106 20 0 GAADMN CNC(=O)CCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001604880453 1076325844 /nfs/dbraw/zinc/32/58/44/1076325844.db2.gz VNINWVISUUKEOX-NSHDSACASA-N 0 1 389.420 -1.106 20 0 GAADMN CNC(=O)CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001604880549 1076325797 /nfs/dbraw/zinc/32/57/97/1076325797.db2.gz ZKXVADZKGPRSQO-MNOVXSKESA-N 0 1 389.420 -1.371 20 0 GAADMN CNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1c1cnn(C)c1 ZINC001604882643 1076325730 /nfs/dbraw/zinc/32/57/30/1076325730.db2.gz ZHFJMYJLCBXSJR-GXTWGEPZSA-N 0 1 398.431 -1.128 20 0 GAADMN CNC(=O)CN1CC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001604882645 1076325809 /nfs/dbraw/zinc/32/58/09/1076325809.db2.gz ZLRLILOOSHSVGC-CYBMUJFWSA-N 0 1 387.448 -1.227 20 0 GAADMN CNC(=O)CN1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001604882646 1076326333 /nfs/dbraw/zinc/32/63/33/1076326333.db2.gz ZLRLILOOSHSVGC-ZDUSSCGKSA-N 0 1 387.448 -1.227 20 0 GAADMN CNC(=O)NCCC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001604885633 1076326798 /nfs/dbraw/zinc/32/67/98/1076326798.db2.gz IHUAFPZCVCMQKP-JTQLQIEISA-N 0 1 377.409 -1.766 20 0 GAADMN CNC(=O)NCCC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001604885634 1076326787 /nfs/dbraw/zinc/32/67/87/1076326787.db2.gz IHUAFPZCVCMQKP-SNVBAGLBSA-N 0 1 377.409 -1.766 20 0 GAADMN CNC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1O ZINC001604885716 1076326695 /nfs/dbraw/zinc/32/66/95/1076326695.db2.gz LWZMIRMIRYCNOH-PWSUYJOCSA-N 0 1 375.393 -1.835 20 0 GAADMN CNC(=O)NCC(=O)NCCOCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001604885780 1076326733 /nfs/dbraw/zinc/32/67/33/1076326733.db2.gz NLSHWIGOEWDNDU-UHFFFAOYSA-N 0 1 378.397 -1.845 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604885894 1076326885 /nfs/dbraw/zinc/32/68/85/1076326885.db2.gz FFIHMNFTROPJHH-JTQLQIEISA-N 0 1 377.409 -1.800 20 0 GAADMN CNC(=O)NCCC(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604885896 1076327106 /nfs/dbraw/zinc/32/71/06/1076327106.db2.gz FFIHMNFTROPJHH-SNVBAGLBSA-N 0 1 377.409 -1.800 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2nc(C)n(C)c2=O)c1-c1nn[n-]n1 ZINC001604892047 1076327013 /nfs/dbraw/zinc/32/70/13/1076327013.db2.gz DYXLSJGPHYACMC-UHFFFAOYSA-N 0 1 375.397 -1.416 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2nc(C)n(C)c2=O)c1-c1nnn[n-]1 ZINC001604892047 1076327007 /nfs/dbraw/zinc/32/70/07/1076327007.db2.gz DYXLSJGPHYACMC-UHFFFAOYSA-N 0 1 375.397 -1.416 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC001604892868 1076327138 /nfs/dbraw/zinc/32/71/38/1076327138.db2.gz VVBWEDCPGAVHQB-UHFFFAOYSA-N 0 1 383.438 -1.284 20 0 GAADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN2CCCS2(=O)=O)c1-c1nnn[n-]1 ZINC001604892868 1076327134 /nfs/dbraw/zinc/32/71/34/1076327134.db2.gz VVBWEDCPGAVHQB-UHFFFAOYSA-N 0 1 383.438 -1.284 20 0 GAADMN CNS(=O)(=O)C1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001604893300 1076327214 /nfs/dbraw/zinc/32/72/14/1076327214.db2.gz CTTWTQIELUVMTO-UHFFFAOYSA-N 0 1 387.447 -1.036 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893307 1076327304 /nfs/dbraw/zinc/32/73/04/1076327304.db2.gz DDOFVVKGGKUUSN-NXEZZACHSA-N 0 1 382.450 -1.154 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893308 1076327439 /nfs/dbraw/zinc/32/74/39/1076327439.db2.gz DDOFVVKGGKUUSN-UWVGGRQHSA-N 0 1 382.450 -1.154 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893309 1076327423 /nfs/dbraw/zinc/32/74/23/1076327423.db2.gz DDOFVVKGGKUUSN-VHSXEESVSA-N 0 1 382.450 -1.154 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893310 1076327410 /nfs/dbraw/zinc/32/74/10/1076327410.db2.gz DDOFVVKGGKUUSN-ZJUUUORDSA-N 0 1 382.450 -1.154 20 0 GAADMN CNS(=O)(=O)CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001604893325 1076327799 /nfs/dbraw/zinc/32/77/99/1076327799.db2.gz FHTRHPNRCDQASP-UHFFFAOYSA-N 0 1 384.422 -2.534 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001604893407 1076327570 /nfs/dbraw/zinc/32/75/70/1076327570.db2.gz GOBYOHOGGIFQGC-SECBINFHSA-N 0 1 383.438 -1.818 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001604893408 1076327767 /nfs/dbraw/zinc/32/77/67/1076327767.db2.gz GOBYOHOGGIFQGC-VIFPVBQESA-N 0 1 383.438 -1.818 20 0 GAADMN CNS(=O)(=O)CC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893411 1076327669 /nfs/dbraw/zinc/32/76/69/1076327669.db2.gz HAYNHDHKDFLLHU-ARJAWSKDSA-N 0 1 380.434 -1.374 20 0 GAADMN CNS(=O)(=O)CC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893412 1076327677 /nfs/dbraw/zinc/32/76/77/1076327677.db2.gz HAYNHDHKDFLLHU-ONEGZZNKSA-N 0 1 380.434 -1.374 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001604893414 1076327591 /nfs/dbraw/zinc/32/75/91/1076327591.db2.gz HFMFBIFFQCSECN-RKDXNWHRSA-N 0 1 397.421 -2.474 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604893430 1076327752 /nfs/dbraw/zinc/32/77/52/1076327752.db2.gz HWCHJOMYUVWIMF-SECBINFHSA-N 0 1 381.422 -1.852 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604893431 1076327780 /nfs/dbraw/zinc/32/77/80/1076327780.db2.gz HWCHJOMYUVWIMF-VIFPVBQESA-N 0 1 381.422 -1.852 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893441 1076327790 /nfs/dbraw/zinc/32/77/90/1076327790.db2.gz IAEAMFQLXTVVTC-SECBINFHSA-N 0 1 382.450 -1.152 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001604893449 1076327643 /nfs/dbraw/zinc/32/76/43/1076327643.db2.gz IHRIOPQZYNVDPH-NXEZZACHSA-N 0 1 395.449 -1.606 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001604893543 1076327723 /nfs/dbraw/zinc/32/77/23/1076327723.db2.gz LBJFZKLPZCJTIK-BDAKNGLRSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001604893544 1076327815 /nfs/dbraw/zinc/32/78/15/1076327815.db2.gz LBJFZKLPZCJTIK-DTWKUNHWSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001604893545 1076327626 /nfs/dbraw/zinc/32/76/26/1076327626.db2.gz LBJFZKLPZCJTIK-IUCAKERBSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001604893546 1076328017 /nfs/dbraw/zinc/32/80/17/1076328017.db2.gz LBJFZKLPZCJTIK-RKDXNWHRSA-N 0 1 381.422 -1.971 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604893554 1076328264 /nfs/dbraw/zinc/32/82/64/1076328264.db2.gz LHAGBRWDWKDHCF-SECBINFHSA-N 0 1 381.422 -1.757 20 0 GAADMN CNS(=O)(=O)CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604893555 1076328200 /nfs/dbraw/zinc/32/82/00/1076328200.db2.gz LHAGBRWDWKDHCF-VIFPVBQESA-N 0 1 381.422 -1.757 20 0 GAADMN CNS(=O)(=O)CCC(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893601 1076328032 /nfs/dbraw/zinc/32/80/32/1076328032.db2.gz NJLXURQUWJYUFJ-JTQLQIEISA-N 0 1 382.450 -1.152 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001604893731 1076328137 /nfs/dbraw/zinc/32/81/37/1076328137.db2.gz PNQCHSPXXNJMHD-UTLUCORTSA-N 0 1 393.433 -1.568 20 0 GAADMN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001604893780 1076328553 /nfs/dbraw/zinc/32/85/53/1076328553.db2.gz SUGIWPRWJUXDPY-NXEZZACHSA-N 0 1 395.449 -1.533 20 0 GAADMN CNS(=O)(=O)CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001604893783 1076328405 /nfs/dbraw/zinc/32/84/05/1076328405.db2.gz SXVXLYCWUQLGBL-UHFFFAOYSA-N 0 1 380.434 -1.461 20 0 GAADMN CNS(=O)(=O)CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604893798 1076328348 /nfs/dbraw/zinc/32/83/48/1076328348.db2.gz USHBTXWBCYVFAX-VHSXEESVSA-N 0 1 395.449 -1.675 20 0 GAADMN CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001604893808 1076328391 /nfs/dbraw/zinc/32/83/91/1076328391.db2.gz VGHYEUCGMPUDBL-SNVBAGLBSA-N 0 1 380.434 -1.446 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001604893931 1076328989 /nfs/dbraw/zinc/32/89/89/1076328989.db2.gz ZCJWDQDHRFANAP-JTQLQIEISA-N 0 1 382.450 -1.118 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001604893935 1076328708 /nfs/dbraw/zinc/32/87/08/1076328708.db2.gz ZCJWDQDHRFANAP-SNVBAGLBSA-N 0 1 382.450 -1.118 20 0 GAADMN CNS(=O)(=O)CCC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001604893946 1076328818 /nfs/dbraw/zinc/32/88/18/1076328818.db2.gz ZLIFEITVWCUJRC-UHFFFAOYSA-N 0 1 382.450 -1.198 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC/C=C\CNc1ccncc1-c1nn[nH]n1 ZINC001604893986 1076328932 /nfs/dbraw/zinc/32/89/32/1076328932.db2.gz ZRTYONWTBULMAF-IHWYPQMZSA-N 0 1 380.434 -1.293 20 0 GAADMN CNS(=O)(=O)CCC(=O)NC/C=C/CNc1ccncc1-c1nn[nH]n1 ZINC001604893989 1076328915 /nfs/dbraw/zinc/32/89/15/1076328915.db2.gz ZRTYONWTBULMAF-NSCUHMNNSA-N 0 1 380.434 -1.293 20 0 GAADMN CNS(=O)(=O)c1csc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001604897498 1076329225 /nfs/dbraw/zinc/32/92/25/1076329225.db2.gz WWSLEESDRRXJQS-UHFFFAOYSA-N 0 1 383.419 -1.142 20 0 GAADMN CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 ZINC001604897528 1076329176 /nfs/dbraw/zinc/32/91/76/1076329176.db2.gz MWTKIWZJNBHIHU-UHFFFAOYSA-N 0 1 377.408 -1.770 20 0 GAADMN COC(=O)C1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001604914557 1076330274 /nfs/dbraw/zinc/33/02/74/1076330274.db2.gz KJGZIIBIIWPLCW-UHFFFAOYSA-N 0 1 379.381 -1.273 20 0 GAADMN COC(=O)[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001604921660 1076330052 /nfs/dbraw/zinc/33/00/52/1076330052.db2.gz HIPZIZQOAARNSP-GHMZBOCLSA-N 0 1 375.389 -1.275 20 0 GAADMN COC(=O)[C@H]1C[C@H]1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001604921667 1076330196 /nfs/dbraw/zinc/33/01/96/1076330196.db2.gz HIPZIZQOAARNSP-MNOVXSKESA-N 0 1 375.389 -1.275 20 0 GAADMN COC(=O)[C@H]1C[C@@H]1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001604921668 1076330175 /nfs/dbraw/zinc/33/01/75/1076330175.db2.gz HIPZIZQOAARNSP-QWRGUYRKSA-N 0 1 375.389 -1.275 20 0 GAADMN COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001604921669 1076330080 /nfs/dbraw/zinc/33/00/80/1076330080.db2.gz HIPZIZQOAARNSP-WDEREUQCSA-N 0 1 375.389 -1.275 20 0 GAADMN COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001604939811 1076330949 /nfs/dbraw/zinc/33/09/49/1076330949.db2.gz JNBPSDUERRSGDD-LLVKDONJSA-N 0 1 393.408 -1.647 20 0 GAADMN COC(=O)CN(CCN1CCOCC1)C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001604939813 1076330825 /nfs/dbraw/zinc/33/08/25/1076330825.db2.gz JNBPSDUERRSGDD-NSHDSACASA-N 0 1 393.408 -1.647 20 0 GAADMN COC(=O)CNC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001604939867 1076330907 /nfs/dbraw/zinc/33/09/07/1076330907.db2.gz LDCWYEGIIMCKJJ-UHFFFAOYSA-N 0 1 385.344 -1.000 20 0 GAADMN COC(=O)NCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001604952642 1076331355 /nfs/dbraw/zinc/33/13/55/1076331355.db2.gz NQSZHNDHEMGHIN-UHFFFAOYSA-N 0 1 391.392 -1.488 20 0 GAADMN COC(=O)NCC(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001604953317 1076331401 /nfs/dbraw/zinc/33/14/01/1076331401.db2.gz VLPPSQSEUVUBLF-UHFFFAOYSA-N 0 1 390.404 -1.195 20 0 GAADMN COC(=O)NCC(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001604953384 1076331797 /nfs/dbraw/zinc/33/17/97/1076331797.db2.gz XLSBDZUUGCSAQJ-INIZCTEOSA-N 0 1 390.404 -1.195 20 0 GAADMN COC(=O)NCC(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001604953385 1076331744 /nfs/dbraw/zinc/33/17/44/1076331744.db2.gz XLSBDZUUGCSAQJ-MRXNPFEDSA-N 0 1 390.404 -1.195 20 0 GAADMN COC(=O)c1cncc(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001604989584 1076332092 /nfs/dbraw/zinc/33/20/92/1076332092.db2.gz IHXPQUQTUJDHTG-UHFFFAOYSA-N 0 1 379.362 -1.382 20 0 GAADMN CO[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCOC1 ZINC001604991139 1076332151 /nfs/dbraw/zinc/33/21/51/1076332151.db2.gz MBEDRLQGDJWUIJ-AAEUAGOBSA-N 0 1 392.420 -1.637 20 0 GAADMN CO[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCOC1 ZINC001604991161 1076332182 /nfs/dbraw/zinc/33/21/82/1076332182.db2.gz MBEDRLQGDJWUIJ-DGCLKSJQSA-N 0 1 392.420 -1.637 20 0 GAADMN CO[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCOC1 ZINC001604991163 1076332388 /nfs/dbraw/zinc/33/23/88/1076332388.db2.gz MBEDRLQGDJWUIJ-WCQYABFASA-N 0 1 392.420 -1.637 20 0 GAADMN CO[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCOC1 ZINC001604991166 1076332272 /nfs/dbraw/zinc/33/22/72/1076332272.db2.gz MBEDRLQGDJWUIJ-YPMHNXCESA-N 0 1 392.420 -1.637 20 0 GAADMN CO[C@@H](C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001604995952 1076332365 /nfs/dbraw/zinc/33/23/65/1076332365.db2.gz CRAUDOZXUCXGCX-CMPLNLGQSA-N 0 1 388.392 -1.911 20 0 GAADMN CO[C@H](C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001604995953 1076332070 /nfs/dbraw/zinc/33/20/70/1076332070.db2.gz CRAUDOZXUCXGCX-JQWIXIFHSA-N 0 1 388.392 -1.911 20 0 GAADMN CO[C@H](C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001604995954 1076332326 /nfs/dbraw/zinc/33/23/26/1076332326.db2.gz CRAUDOZXUCXGCX-PWSUYJOCSA-N 0 1 388.392 -1.911 20 0 GAADMN CO[C@@H](C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001604995955 1076332112 /nfs/dbraw/zinc/33/21/12/1076332112.db2.gz CRAUDOZXUCXGCX-ZYHUDNBSSA-N 0 1 388.392 -1.911 20 0 GAADMN COC(OC)C(=O)N1CCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 ZINC001605013504 1076332831 /nfs/dbraw/zinc/33/28/31/1076332831.db2.gz ZAFUCRIMOSVQIS-SECBINFHSA-N 0 1 379.381 -1.691 20 0 GAADMN COC(OC)C(=O)N1CCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 ZINC001605013505 1076332658 /nfs/dbraw/zinc/33/26/58/1076332658.db2.gz ZAFUCRIMOSVQIS-VIFPVBQESA-N 0 1 379.381 -1.691 20 0 GAADMN CO[C@@]1(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)CCS(=O)(=O)C1 ZINC001605021284 1076332567 /nfs/dbraw/zinc/33/25/67/1076332567.db2.gz SYSXEDKKNMVKJG-GFCCVEGCSA-N 0 1 388.431 -1.256 20 0 GAADMN CO[C@]1(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)CCS(=O)(=O)C1 ZINC001605021289 1076332550 /nfs/dbraw/zinc/33/25/50/1076332550.db2.gz SYSXEDKKNMVKJG-LBPRGKRZSA-N 0 1 388.431 -1.256 20 0 GAADMN COC1CC[NH+](CCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001605032202 1076332783 /nfs/dbraw/zinc/33/27/83/1076332783.db2.gz LVSHCUJCIJNERC-UHFFFAOYSA-N 0 1 378.393 -1.644 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001605036383 1076333137 /nfs/dbraw/zinc/33/31/37/1076333137.db2.gz MESNLAGHDKHCSH-LLVKDONJSA-N 0 1 389.420 -1.556 20 0 GAADMN COCC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001605036384 1076333167 /nfs/dbraw/zinc/33/31/67/1076333167.db2.gz 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QXWDACFYGLDJFC-UHFFFAOYSA-N 0 1 389.380 -1.668 20 0 GAADMN CON(C)C(=O)C1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001605139912 1076337940 /nfs/dbraw/zinc/33/79/40/1076337940.db2.gz QWKSCKGITSGGEO-UHFFFAOYSA-N 0 1 378.397 -1.100 20 0 GAADMN CO[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001605147048 1076337917 /nfs/dbraw/zinc/33/79/17/1076337917.db2.gz AIODUEOIEMOZEY-GHMZBOCLSA-N 0 1 386.376 -1.489 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001605147265 1076338550 /nfs/dbraw/zinc/33/85/50/1076338550.db2.gz BFLUVGOTDXWTRH-RKDXNWHRSA-N 0 1 375.393 -1.512 20 0 GAADMN CO[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001605147276 1076338327 /nfs/dbraw/zinc/33/83/27/1076338327.db2.gz MYAJLVAKGAUNPT-GHMZBOCLSA-N 0 1 386.376 -1.109 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H](C)S(C)(=O)=O ZINC001605147364 1076338416 /nfs/dbraw/zinc/33/84/16/1076338416.db2.gz DUZUFKTUXCEIRZ-IVZWLZJFSA-N 0 1 396.433 -1.590 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H](C)S(C)(=O)=O ZINC001605147365 1076338345 /nfs/dbraw/zinc/33/83/45/1076338345.db2.gz DUZUFKTUXCEIRZ-OPRDCNLKSA-N 0 1 396.433 -1.590 20 0 GAADMN CO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001605147413 1076338275 /nfs/dbraw/zinc/33/82/75/1076338275.db2.gz REAXCNGMRLZXIQ-GHMZBOCLSA-N 0 1 386.376 -1.489 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001605147488 1076338367 /nfs/dbraw/zinc/33/83/67/1076338367.db2.gz IKOLVYOFURLFPG-GMTAPVOTSA-N 0 1 376.377 -1.608 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001605147492 1076338314 /nfs/dbraw/zinc/33/83/14/1076338314.db2.gz IKOLVYOFURLFPG-MXWKQRLJSA-N 0 1 376.377 -1.608 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001605147586 1076338773 /nfs/dbraw/zinc/33/87/73/1076338773.db2.gz KOVGWIURACKNEK-GMTAPVOTSA-N 0 1 387.404 -1.545 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001605147591 1076338815 /nfs/dbraw/zinc/33/88/15/1076338815.db2.gz KOVGWIURACKNEK-HBNTYKKESA-N 0 1 387.404 -1.545 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001605147617 1076338870 /nfs/dbraw/zinc/33/88/70/1076338870.db2.gz LDVMWBDXQHYTOO-KXUCPTDWSA-N 0 1 388.392 -2.000 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001605147624 1076338998 /nfs/dbraw/zinc/33/89/98/1076338998.db2.gz LDVMWBDXQHYTOO-OPRDCNLKSA-N 0 1 388.392 -2.000 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC001605147680 1076339049 /nfs/dbraw/zinc/33/90/49/1076339049.db2.gz LXJNARHLPVVKHS-OUAUKWLOSA-N 0 1 387.404 -1.403 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001605147786 1076338835 /nfs/dbraw/zinc/33/88/35/1076338835.db2.gz PNHUCPNYNHJIJQ-GHMZBOCLSA-N 0 1 375.393 -1.545 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H](C)n1cncn1 ZINC001605147823 1076338852 /nfs/dbraw/zinc/33/88/52/1076338852.db2.gz SAYVZCGXOICNIQ-GMTAPVOTSA-N 0 1 385.392 -1.171 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H](C)n1cncn1 ZINC001605147824 1076338698 /nfs/dbraw/zinc/33/86/98/1076338698.db2.gz SAYVZCGXOICNIQ-HBNTYKKESA-N 0 1 385.392 -1.171 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CO[C@@H]1CCOC1 ZINC001605148027 1076339341 /nfs/dbraw/zinc/33/93/41/1076339341.db2.gz YUZJUJCAOMXFSZ-IJLUTSLNSA-N 0 1 390.404 -1.218 20 0 GAADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CO[C@H]1CCOC1 ZINC001605148028 1076339268 /nfs/dbraw/zinc/33/92/68/1076339268.db2.gz YUZJUJCAOMXFSZ-QJPTWQEYSA-N 0 1 390.404 -1.218 20 0 GAADMN CO[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001605148057 1076339277 /nfs/dbraw/zinc/33/92/77/1076339277.db2.gz OVKUJMJYLANBQP-ZIAGYGMSSA-N 0 1 384.404 -1.131 20 0 GAADMN CO[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001605148195 1076339186 /nfs/dbraw/zinc/33/91/86/1076339186.db2.gz XLXIPAJMZSCFKO-ZIAGYGMSSA-N 0 1 384.404 -1.131 20 0 GAADMN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001605151359 1076339554 /nfs/dbraw/zinc/33/95/54/1076339554.db2.gz LGJILCMJEHBFAC-AEJSXWLSSA-N 0 1 397.421 -2.088 20 0 GAADMN COc1c(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001605153417 1076339685 /nfs/dbraw/zinc/33/96/85/1076339685.db2.gz FQIHFFNZOLPRSB-SECBINFHSA-N 0 1 388.392 -1.634 20 0 GAADMN COc1c(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001605153418 1076339838 /nfs/dbraw/zinc/33/98/38/1076339838.db2.gz FQIHFFNZOLPRSB-VIFPVBQESA-N 0 1 388.392 -1.634 20 0 GAADMN COc1c(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(C)nn1C ZINC001605155710 1076340191 /nfs/dbraw/zinc/34/01/91/1076340191.db2.gz VCQIKWHPFJGYCA-SECBINFHSA-N 0 1 388.392 -1.668 20 0 GAADMN COc1c(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c(C)nn1C ZINC001605155711 1076340249 /nfs/dbraw/zinc/34/02/49/1076340249.db2.gz VCQIKWHPFJGYCA-VIFPVBQESA-N 0 1 388.392 -1.668 20 0 GAADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCC(=O)N1CCNCC1 ZINC001605181508 1076340106 /nfs/dbraw/zinc/34/01/06/1076340106.db2.gz JKWPGHGSEYQHBG-UHFFFAOYSA-N 0 1 375.389 -1.198 20 0 GAADMN COc1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)ncn1 ZINC001605192002 1076340285 /nfs/dbraw/zinc/34/02/85/1076340285.db2.gz KKLUTXRVKJVNHP-UHFFFAOYSA-N 0 1 386.376 -1.576 20 0 GAADMN COc1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)sn1 ZINC001605196108 1076339998 /nfs/dbraw/zinc/33/99/98/1076339998.db2.gz HSXLXTCREBPWRE-SSDOTTSWSA-N 0 1 377.390 -1.254 20 0 GAADMN COc1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)sn1 ZINC001605196109 1076339967 /nfs/dbraw/zinc/33/99/67/1076339967.db2.gz HSXLXTCREBPWRE-ZETCQYMHSA-N 0 1 377.390 -1.254 20 0 GAADMN COc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)ncn1 ZINC001605196713 1076340212 /nfs/dbraw/zinc/34/02/12/1076340212.db2.gz NFBCFGZJKFLQTD-ZJUUUORDSA-N 0 1 384.360 -1.565 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001605242155 1076340482 /nfs/dbraw/zinc/34/04/82/1076340482.db2.gz ZOXVPRCWUIFFQR-NEPJUHHUSA-N 0 1 375.389 -1.588 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001605242156 1076340675 /nfs/dbraw/zinc/34/06/75/1076340675.db2.gz ZOXVPRCWUIFFQR-NWDGAFQWSA-N 0 1 375.389 -1.588 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001605242157 1076340464 /nfs/dbraw/zinc/34/04/64/1076340464.db2.gz ZOXVPRCWUIFFQR-RYUDHWBXSA-N 0 1 375.389 -1.588 20 0 GAADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001605242158 1076340566 /nfs/dbraw/zinc/34/05/66/1076340566.db2.gz ZOXVPRCWUIFFQR-VXGBXAGGSA-N 0 1 375.389 -1.588 20 0 GAADMN COc1ccc(CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001605270254 1076340400 /nfs/dbraw/zinc/34/04/00/1076340400.db2.gz WCUMUKBDHDSNJR-LLVKDONJSA-N 0 1 385.388 -1.386 20 0 GAADMN COc1ccc(CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001605270265 1076340421 /nfs/dbraw/zinc/34/04/21/1076340421.db2.gz WCUMUKBDHDSNJR-NSHDSACASA-N 0 1 385.388 -1.386 20 0 GAADMN CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001605323351 1076340816 /nfs/dbraw/zinc/34/08/16/1076340816.db2.gz AUTOVVARFYCTMC-KBXCAEBGSA-N 0 1 382.461 -1.025 20 0 GAADMN CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001605323352 1076341081 /nfs/dbraw/zinc/34/10/81/1076341081.db2.gz AUTOVVARFYCTMC-KDOFPFPSSA-N 0 1 382.461 -1.025 20 0 GAADMN CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001605323353 1076340834 /nfs/dbraw/zinc/34/08/34/1076340834.db2.gz AUTOVVARFYCTMC-KSSFIOAISA-N 0 1 382.461 -1.025 20 0 GAADMN CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001605323354 1076340899 /nfs/dbraw/zinc/34/08/99/1076340899.db2.gz AUTOVVARFYCTMC-RDTXWAMCSA-N 0 1 382.461 -1.025 20 0 GAADMN COc1ccccc1CCNC(=O)CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001605332912 1076341017 /nfs/dbraw/zinc/34/10/17/1076341017.db2.gz RYIRQCBNEMHDDU-UHFFFAOYSA-N 0 1 385.388 -1.058 20 0 GAADMN COc1ccncc1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001605338258 1076341107 /nfs/dbraw/zinc/34/11/07/1076341107.db2.gz DGMGXUCBWIDGAF-VXGBXAGGSA-N 0 1 397.399 -1.031 20 0 GAADMN COc1nccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)n1 ZINC001605349153 1076341485 /nfs/dbraw/zinc/34/14/85/1076341485.db2.gz ZZLIYKLWFSTWOM-NXEZZACHSA-N 0 1 384.360 -1.565 20 0 GAADMN CS(=O)(=O)C1(C(=O)NCCNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001605352013 1076341231 /nfs/dbraw/zinc/34/12/31/1076341231.db2.gz JPPXUKDGINOSHX-UHFFFAOYSA-N 0 1 380.434 -1.036 20 0 GAADMN CS(=O)(=O)CCC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001605353470 1076342126 /nfs/dbraw/zinc/34/21/26/1076342126.db2.gz ILAZYPKXNKUTHB-UHFFFAOYSA-N 0 1 383.434 -1.649 20 0 GAADMN CS(=O)(=O)C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCO1 ZINC001605353482 1076341972 /nfs/dbraw/zinc/34/19/72/1076341972.db2.gz IZZCMNLLUONTDU-MRVPVSSYSA-N 0 1 377.404 -1.106 20 0 GAADMN CS(=O)(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCO1 ZINC001605353483 1076341960 /nfs/dbraw/zinc/34/19/60/1076341960.db2.gz IZZCMNLLUONTDU-QMMMGPOBSA-N 0 1 377.404 -1.106 20 0 GAADMN CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001605353488 1076342011 /nfs/dbraw/zinc/34/20/11/1076342011.db2.gz JGKVUBGLNHCXQL-GDGBQDQQSA-N 0 1 378.418 -1.358 20 0 GAADMN CS(=O)(=O)CCCC(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001605354357 1076342317 /nfs/dbraw/zinc/34/23/17/1076342317.db2.gz NVUBACHVYRNWIG-IHWYPQMZSA-N 0 1 380.434 -1.012 20 0 GAADMN CS(=O)(=O)CCCC(=O)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001605354358 1076342352 /nfs/dbraw/zinc/34/23/52/1076342352.db2.gz NVUBACHVYRNWIG-NSCUHMNNSA-N 0 1 380.434 -1.012 20 0 GAADMN CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001605356893 1076342365 /nfs/dbraw/zinc/34/23/65/1076342365.db2.gz HXWNSBQXWXJCAS-SECBINFHSA-N 0 1 387.447 -1.036 20 0 GAADMN CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001605356894 1076342393 /nfs/dbraw/zinc/34/23/93/1076342393.db2.gz HXWNSBQXWXJCAS-VIFPVBQESA-N 0 1 387.447 -1.036 20 0 GAADMN CS(=O)(=O)NCC1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001605357496 1076342744 /nfs/dbraw/zinc/34/27/44/1076342744.db2.gz AZWGDGNROANHSX-UHFFFAOYSA-N 0 1 398.453 -1.571 20 0 GAADMN CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001605357721 1076342661 /nfs/dbraw/zinc/34/26/61/1076342661.db2.gz CWLVEZSPWWTTJD-SECBINFHSA-N 0 1 387.447 -1.036 20 0 GAADMN CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001605357722 1076342885 /nfs/dbraw/zinc/34/28/85/1076342885.db2.gz CWLVEZSPWWTTJD-VIFPVBQESA-N 0 1 387.447 -1.036 20 0 GAADMN CS(=O)(=O)N1CCC(NC(=O)COc2cnc(-c3nn[nH]n3)nc2)CC1 ZINC001605358019 1076342694 /nfs/dbraw/zinc/34/26/94/1076342694.db2.gz ZGFAVLHDGMICRC-UHFFFAOYSA-N 0 1 382.406 -1.424 20 0 GAADMN CS(=O)(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001605358583 1076343251 /nfs/dbraw/zinc/34/32/51/1076343251.db2.gz WKBDDAKWZQWKSC-DTORHVGOSA-N 0 1 381.422 -1.923 20 0 GAADMN CS(C)(=O)=NS(=O)(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001605361510 1076343104 /nfs/dbraw/zinc/34/31/04/1076343104.db2.gz IPKBOFHQEDACFC-UHFFFAOYSA-N 0 1 387.451 -1.249 20 0 GAADMN CSc1[nH]c(=O)c(C(=O)N2CC3(C2)NC(=O)NC3=O)cc1-c1nn[nH]n1 ZINC001605379856 1076343558 /nfs/dbraw/zinc/34/35/58/1076343558.db2.gz BDIFWFDCPWGYSS-UHFFFAOYSA-N 0 1 376.358 -1.277 20 0 GAADMN CSc1[nH]c(=O)c(C(=O)N2CCN(CC(N)=O)CC2)cc1-c1nn[nH]n1 ZINC001605381615 1076343521 /nfs/dbraw/zinc/34/35/21/1076343521.db2.gz ZERNZVIUBUZQIC-UHFFFAOYSA-N 0 1 378.418 -1.068 20 0 GAADMN CCN(C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1)[C@@H]1CCNC1=O ZINC001605390711 1076343465 /nfs/dbraw/zinc/34/34/65/1076343465.db2.gz BIXNUZSFQUFILK-PXAZEXFGSA-N 0 1 382.417 -1.889 20 0 GAADMN CCN(C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1)[C@H]1CCNC1=O ZINC001605390712 1076343607 /nfs/dbraw/zinc/34/36/07/1076343607.db2.gz BIXNUZSFQUFILK-SJCJKPOMSA-N 0 1 382.417 -1.889 20 0 GAADMN CCN(C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1)[C@@H]1CCNC1=O ZINC001605390713 1076343437 /nfs/dbraw/zinc/34/34/37/1076343437.db2.gz BIXNUZSFQUFILK-SJKOYZFVSA-N 0 1 382.417 -1.889 20 0 GAADMN CCN(C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1)[C@H]1CCNC1=O ZINC001605390714 1076343593 /nfs/dbraw/zinc/34/35/93/1076343593.db2.gz BIXNUZSFQUFILK-YVEFUNNKSA-N 0 1 382.417 -1.889 20 0 GAADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCCN1C(=O)CNC1=O ZINC001605400367 1076344050 /nfs/dbraw/zinc/34/40/50/1076344050.db2.gz BGEDQOINFOXJIR-JTQLQIEISA-N 0 1 387.404 -1.068 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001605400372 1076344019 /nfs/dbraw/zinc/34/40/19/1076344019.db2.gz BNTJQPHAMHXPBO-VIFPVBQESA-N 0 1 392.445 -1.180 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCC(=O)N1CCOCC1 ZINC001605400776 1076343840 /nfs/dbraw/zinc/34/38/40/1076343840.db2.gz IZFPDQNKWLLFIO-NSHDSACASA-N 0 1 389.420 -1.366 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001605400788 1076343892 /nfs/dbraw/zinc/34/38/92/1076343892.db2.gz KEZUIWVKJULXGJ-QMMMGPOBSA-N 0 1 383.438 -1.677 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001605400804 1076343921 /nfs/dbraw/zinc/34/39/21/1076343921.db2.gz KQBSTIOQFDIDQD-VIFPVBQESA-N 0 1 386.376 -2.444 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCCN1C(=O)CCC1=O ZINC001605400805 1076343907 /nfs/dbraw/zinc/34/39/07/1076343907.db2.gz KSDXJZGHVQVHAP-JTQLQIEISA-N 0 1 387.404 -1.076 20 0 GAADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccnc2c1nnn2C ZINC001605400836 1076343987 /nfs/dbraw/zinc/34/39/87/1076343987.db2.gz MPYBIOSGBSWDMW-QMMMGPOBSA-N 0 1 380.376 -1.014 20 0 GAADMN C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1)C(=O)N(C)C ZINC001605403582 1076343936 /nfs/dbraw/zinc/34/39/36/1076343936.db2.gz MEIUKVQIZGLSSH-SECBINFHSA-N 0 1 398.387 -1.021 20 0 GAADMN C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001605409054 1076343862 /nfs/dbraw/zinc/34/38/62/1076343862.db2.gz BUHKCNSKELCMCJ-OUAUKWLOSA-N 0 1 386.420 -1.201 20 0 GAADMN C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001605409055 1076343879 /nfs/dbraw/zinc/34/38/79/1076343879.db2.gz BUHKCNSKELCMCJ-VWYCJHECSA-N 0 1 386.420 -1.201 20 0 GAADMN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001605409764 1076344002 /nfs/dbraw/zinc/34/40/02/1076344002.db2.gz LCUZDZYACUBUKP-PSASIEDQSA-N 0 1 385.388 -1.610 20 0 GAADMN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001605410196 1076344343 /nfs/dbraw/zinc/34/43/43/1076344343.db2.gz LZGMGFOYOGREOO-RKDXNWHRSA-N 0 1 395.374 -1.034 20 0 GAADMN C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001605411907 1076344421 /nfs/dbraw/zinc/34/44/21/1076344421.db2.gz JNSBMTDBCCOTDJ-GBIKHYSHSA-N 0 1 384.400 -1.005 20 0 GAADMN C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001605411908 1076344321 /nfs/dbraw/zinc/34/43/21/1076344321.db2.gz JNSBMTDBCCOTDJ-GIPNMCIBSA-N 0 1 384.400 -1.005 20 0 GAADMN C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001605413137 1076344502 /nfs/dbraw/zinc/34/45/02/1076344502.db2.gz WYAAJZUZUJCZAA-BXUZGUMPSA-N 0 1 398.431 -1.072 20 0 GAADMN C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001605414320 1076344264 /nfs/dbraw/zinc/34/42/64/1076344264.db2.gz UBOKGVPCUOHXJU-ZWNOBZJWSA-N 0 1 399.415 -1.116 20 0 GAADMN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001605415335 1076344185 /nfs/dbraw/zinc/34/41/85/1076344185.db2.gz WQOALNICDBRFHR-WBMYTEFPSA-N 0 1 386.416 -1.025 20 0 GAADMN C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001605416137 1076344393 /nfs/dbraw/zinc/34/43/93/1076344393.db2.gz RLNAMCPIKABLNI-GHMZBOCLSA-N 0 1 398.431 -1.064 20 0 GAADMN C[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001605416925 1076344231 /nfs/dbraw/zinc/34/42/31/1076344231.db2.gz ZVKNGIJNSJKDIJ-BXKDBHETSA-N 0 1 387.404 -1.203 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001605421165 1076344906 /nfs/dbraw/zinc/34/49/06/1076344906.db2.gz IZMMOYLKYIRWCW-PSASIEDQSA-N 0 1 398.387 -1.289 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001605421223 1076344736 /nfs/dbraw/zinc/34/47/36/1076344736.db2.gz KTNSPROLOBQGKM-NXEZZACHSA-N 0 1 395.449 -1.511 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001605421667 1076344715 /nfs/dbraw/zinc/34/47/15/1076344715.db2.gz RFZXQJXGQZCMCR-KXUCPTDWSA-N 0 1 393.433 -1.711 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001605421668 1076344631 /nfs/dbraw/zinc/34/46/31/1076344631.db2.gz RFZXQJXGQZCMCR-OPRDCNLKSA-N 0 1 393.433 -1.711 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001605421792 1076344645 /nfs/dbraw/zinc/34/46/45/1076344645.db2.gz VIRVUZTYGVFWHE-NXEZZACHSA-N 0 1 384.404 -1.051 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001605421801 1076344804 /nfs/dbraw/zinc/34/48/04/1076344804.db2.gz VUISIKMMONRIIA-HTQZYQBOSA-N 0 1 381.347 -1.021 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001605421852 1076344867 /nfs/dbraw/zinc/34/48/67/1076344867.db2.gz XMJUNEQTVIXXRW-GMTAPVOTSA-N 0 1 399.415 -1.102 20 0 GAADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001605421855 1076344773 /nfs/dbraw/zinc/34/47/73/1076344773.db2.gz XMJUNEQTVIXXRW-OUAUKWLOSA-N 0 1 399.415 -1.102 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1CCN1C(=O)CNC1=O ZINC001605428525 1076345186 /nfs/dbraw/zinc/34/51/86/1076345186.db2.gz HJPORAKHNARFQH-KOLCDFICSA-N 0 1 387.404 -1.061 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1CCN1C(=O)CNC1=O ZINC001605429624 1076345539 /nfs/dbraw/zinc/34/55/39/1076345539.db2.gz FCVDEMQEVOBGMB-ZJUUUORDSA-N 0 1 387.404 -1.061 20 0 GAADMN C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001605429646 1076345678 /nfs/dbraw/zinc/34/56/78/1076345678.db2.gz GNAMWFZTAINCCF-SCZZXKLOSA-N 0 1 398.387 -1.147 20 0 GAADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001605435729 1076345685 /nfs/dbraw/zinc/34/56/85/1076345685.db2.gz BHKRYCCGQGMYIG-SECBINFHSA-N 0 1 385.388 -1.689 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001605435827 1076345624 /nfs/dbraw/zinc/34/56/24/1076345624.db2.gz FKQBLONOBIQYRR-NXEZZACHSA-N 0 1 384.408 -1.366 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001605435828 1076345507 /nfs/dbraw/zinc/34/55/07/1076345507.db2.gz FKQBLONOBIQYRR-ZJUUUORDSA-N 0 1 384.408 -1.366 20 0 GAADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001605435996 1076345555 /nfs/dbraw/zinc/34/55/55/1076345555.db2.gz KEZUIWVKJULXGJ-MRVPVSSYSA-N 0 1 383.438 -1.677 20 0 GAADMN C[C@@H]1CN(C(=O)CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C[C@H](C)[N@@H+]1CCO ZINC001605443837 1076345990 /nfs/dbraw/zinc/34/59/90/1076345990.db2.gz JQIGHNRFOPQKPO-PHIMTYICSA-N 0 1 392.420 -1.567 20 0 GAADMN Cc1c(CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001605486824 1076346793 /nfs/dbraw/zinc/34/67/93/1076346793.db2.gz UGJWUFZOZBRJJJ-GFCCVEGCSA-N 0 1 386.420 -1.406 20 0 GAADMN Cc1c(CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cnn1C ZINC001605486828 1076346802 /nfs/dbraw/zinc/34/68/02/1076346802.db2.gz UGJWUFZOZBRJJJ-LBPRGKRZSA-N 0 1 386.420 -1.406 20 0 GAADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001605565333 1076347939 /nfs/dbraw/zinc/34/79/39/1076347939.db2.gz DPNNSFYEVYCWEY-CHWSQXEVSA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001605565333 1076347936 /nfs/dbraw/zinc/34/79/36/1076347936.db2.gz DPNNSFYEVYCWEY-CHWSQXEVSA-N 0 1 375.437 -1.027 20 0 GAADMN Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cn1C ZINC001605586349 1076349642 /nfs/dbraw/zinc/34/96/42/1076349642.db2.gz LLZVRSOKDSBAQJ-YPMHNXCESA-N 0 1 397.399 -1.357 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605692979 1076349966 /nfs/dbraw/zinc/34/99/66/1076349966.db2.gz BPWSPLIWODEQDX-AAEUAGOBSA-N 0 1 386.416 -1.109 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605692988 1076350020 /nfs/dbraw/zinc/35/00/20/1076350020.db2.gz BPWSPLIWODEQDX-DGCLKSJQSA-N 0 1 386.416 -1.109 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605692992 1076349863 /nfs/dbraw/zinc/34/98/63/1076349863.db2.gz BPWSPLIWODEQDX-WCQYABFASA-N 0 1 386.416 -1.109 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605692996 1076349939 /nfs/dbraw/zinc/34/99/39/1076349939.db2.gz BPWSPLIWODEQDX-YPMHNXCESA-N 0 1 386.416 -1.109 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605693341 1076350032 /nfs/dbraw/zinc/35/00/32/1076350032.db2.gz NMXXAQKXMNAWMF-AAEUAGOBSA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605693343 1076350271 /nfs/dbraw/zinc/35/02/71/1076350271.db2.gz NMXXAQKXMNAWMF-DGCLKSJQSA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605693350 1076350250 /nfs/dbraw/zinc/35/02/50/1076350250.db2.gz NMXXAQKXMNAWMF-WCQYABFASA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605693352 1076350222 /nfs/dbraw/zinc/35/02/22/1076350222.db2.gz NMXXAQKXMNAWMF-YPMHNXCESA-N 0 1 385.392 -1.687 20 0 GAADMN Cc1cc(N2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605693528 1076350233 /nfs/dbraw/zinc/35/02/33/1076350233.db2.gz SUPNEHPUCKBWAS-JTQLQIEISA-N 0 1 385.388 -1.183 20 0 GAADMN Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605697554 1076350289 /nfs/dbraw/zinc/35/02/89/1076350289.db2.gz LEVOVJAKHNYBLX-NSHDSACASA-N 0 1 385.388 -1.183 20 0 GAADMN Cc1cc(N2CCN(C(=O)CN3CCNC(=O)C3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605697860 1076350264 /nfs/dbraw/zinc/35/02/64/1076350264.db2.gz UXSQRWYULQGSOH-UHFFFAOYSA-N 0 1 385.432 -1.349 20 0 GAADMN Cc1cc(N2CCOC[C@H]2CNC(=O)Cn2ncnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605698040 1076350369 /nfs/dbraw/zinc/35/03/69/1076350369.db2.gz ANRGXOWGQNRGNZ-LLVKDONJSA-N 0 1 385.392 -1.422 20 0 GAADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)Cn2ncnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605698041 1076350337 /nfs/dbraw/zinc/35/03/37/1076350337.db2.gz ANRGXOWGQNRGNZ-NSHDSACASA-N 0 1 385.392 -1.422 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605699600 1076350200 /nfs/dbraw/zinc/35/02/00/1076350200.db2.gz IGLINNCONHUXIT-MPKXVKKWSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605699604 1076350211 /nfs/dbraw/zinc/35/02/11/1076350211.db2.gz IGLINNCONHUXIT-ZKYQVNSYSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605699654 1076350241 /nfs/dbraw/zinc/35/02/41/1076350241.db2.gz KZBHCUSJXUFTHB-BNOWGMLFSA-N 0 1 375.389 -1.349 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605699671 1076350399 /nfs/dbraw/zinc/35/03/99/1076350399.db2.gz KZBHCUSJXUFTHB-MRVWCRGKSA-N 0 1 375.389 -1.349 20 0 GAADMN Cc1cc(N2CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605700201 1076350173 /nfs/dbraw/zinc/35/01/73/1076350173.db2.gz MWVDLLWXQYNMPB-QWRGUYRKSA-N 0 1 389.420 -1.052 20 0 GAADMN Cc1cc(N2CCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605700202 1076350325 /nfs/dbraw/zinc/35/03/25/1076350325.db2.gz MWVDLLWXQYNMPB-WDEREUQCSA-N 0 1 389.420 -1.052 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3COCCO3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605700804 1076350384 /nfs/dbraw/zinc/35/03/84/1076350384.db2.gz KZBHCUSJXUFTHB-KWCYVHTRSA-N 0 1 375.389 -1.349 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3COCCO3)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605700805 1076350188 /nfs/dbraw/zinc/35/01/88/1076350188.db2.gz KZBHCUSJXUFTHB-XBFCOCLRSA-N 0 1 375.389 -1.349 20 0 GAADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605700909 1076350296 /nfs/dbraw/zinc/35/02/96/1076350296.db2.gz SAEFPPKQCXPBLB-YRGRVCCFSA-N 0 1 386.416 -1.095 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCCNC3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605700956 1076350280 /nfs/dbraw/zinc/35/02/80/1076350280.db2.gz UZLLWHIYPDMWNZ-QKCSRTOESA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCCNC3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605700957 1076350736 /nfs/dbraw/zinc/35/07/36/1076350736.db2.gz UZLLWHIYPDMWNZ-SUHUHFCYSA-N 0 1 386.416 -1.238 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605701014 1076350523 /nfs/dbraw/zinc/35/05/23/1076350523.db2.gz YBLHAZOBDAEUSH-QKCSRTOESA-N 0 1 386.416 -1.286 20 0 GAADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605701015 1076350539 /nfs/dbraw/zinc/35/05/39/1076350539.db2.gz YBLHAZOBDAEUSH-SUHUHFCYSA-N 0 1 386.416 -1.286 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)CN2CCC(=O)NC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605717695 1076350702 /nfs/dbraw/zinc/35/07/02/1076350702.db2.gz NPVFJEWQTDQCJJ-JTQLQIEISA-N 0 1 387.404 -1.149 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)CN2CCC(=O)NC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605717696 1076350603 /nfs/dbraw/zinc/35/06/03/1076350603.db2.gz NPVFJEWQTDQCJJ-SNVBAGLBSA-N 0 1 387.404 -1.149 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)CN2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605717755 1076350574 /nfs/dbraw/zinc/35/05/74/1076350574.db2.gz POHDWDLDKREKLJ-GFCCVEGCSA-N 0 1 387.448 -1.317 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)CN2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605717756 1076350677 /nfs/dbraw/zinc/35/06/77/1076350677.db2.gz POHDWDLDKREKLJ-LBPRGKRZSA-N 0 1 387.448 -1.317 20 0 GAADMN Cc1cc(N[C@@H](C)CNC(=O)CN2CC(=O)N(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605718124 1076350740 /nfs/dbraw/zinc/35/07/40/1076350740.db2.gz UFLDRWPBZIGJTP-JTQLQIEISA-N 0 1 387.404 -1.197 20 0 GAADMN Cc1cc(N[C@H](C)CNC(=O)CN2CC(=O)N(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605718130 1076350713 /nfs/dbraw/zinc/35/07/13/1076350713.db2.gz UFLDRWPBZIGJTP-SNVBAGLBSA-N 0 1 387.404 -1.197 20 0 GAADMN Cc1cc(NC2(CNC(=O)CN3C(=O)CNC3=O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605720049 1076350637 /nfs/dbraw/zinc/35/06/37/1076350637.db2.gz BIAHPCIQKYDNMB-UHFFFAOYSA-N 0 1 385.388 -1.395 20 0 GAADMN Cc1cc(N[C@@H](CO)CNC(=O)Cn2ccccc2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605720100 1076350719 /nfs/dbraw/zinc/35/07/19/1076350719.db2.gz DKOXCQZYRFOVQI-GFCCVEGCSA-N 0 1 384.400 -1.257 20 0 GAADMN Cc1cc(N[C@H](CO)CNC(=O)Cn2ccccc2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605720101 1076350730 /nfs/dbraw/zinc/35/07/30/1076350730.db2.gz DKOXCQZYRFOVQI-LBPRGKRZSA-N 0 1 384.400 -1.257 20 0 GAADMN Cc1cc(N[C@H](C)[C@@H](C)NC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605721594 1076350622 /nfs/dbraw/zinc/35/06/22/1076350622.db2.gz URVJUDGTWUJDCF-NXEZZACHSA-N 0 1 387.404 -1.151 20 0 GAADMN Cc1cc(N[C@@H](C)[C@H](C)NC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605721598 1076350724 /nfs/dbraw/zinc/35/07/24/1076350724.db2.gz URVJUDGTWUJDCF-UWVGGRQHSA-N 0 1 387.404 -1.151 20 0 GAADMN Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605721599 1076350865 /nfs/dbraw/zinc/35/08/65/1076350865.db2.gz URVJUDGTWUJDCF-VHSXEESVSA-N 0 1 387.404 -1.151 20 0 GAADMN Cc1cc(N[C@H](C)[C@H](C)NC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605721600 1076350894 /nfs/dbraw/zinc/35/08/94/1076350894.db2.gz URVJUDGTWUJDCF-ZJUUUORDSA-N 0 1 387.404 -1.151 20 0 GAADMN Cc1cc(N[C@H](C)CCNC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605721697 1076350912 /nfs/dbraw/zinc/35/09/12/1076350912.db2.gz WDECSLJHFQQFND-SECBINFHSA-N 0 1 387.404 -1.149 20 0 GAADMN Cc1cc(N[C@@H](C)CCNC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605721699 1076350927 /nfs/dbraw/zinc/35/09/27/1076350927.db2.gz WDECSLJHFQQFND-VIFPVBQESA-N 0 1 387.404 -1.149 20 0 GAADMN Cc1cc(N[C@H](C)CN(C)C(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605722091 1076350879 /nfs/dbraw/zinc/35/08/79/1076350879.db2.gz YAOQDPGGDAVORN-GFCCVEGCSA-N 0 1 387.448 -1.317 20 0 GAADMN Cc1cc(N[C@@H](C)CN(C)C(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605722092 1076350940 /nfs/dbraw/zinc/35/09/40/1076350940.db2.gz YAOQDPGGDAVORN-LBPRGKRZSA-N 0 1 387.448 -1.317 20 0 GAADMN Cc1cc(NC[C@@H](C)N(C)C(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605725936 1076350852 /nfs/dbraw/zinc/35/08/52/1076350852.db2.gz DECKLOZQYFKQJK-GFCCVEGCSA-N 0 1 387.448 -1.317 20 0 GAADMN Cc1cc(NC[C@H](C)N(C)C(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605725938 1076350954 /nfs/dbraw/zinc/35/09/54/1076350954.db2.gz DECKLOZQYFKQJK-LBPRGKRZSA-N 0 1 387.448 -1.317 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)CCc2cn(C)nn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728398 1076351211 /nfs/dbraw/zinc/35/12/11/1076351211.db2.gz JFBBQMQDZORYLV-GFCCVEGCSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)CCc2cn(C)nn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728399 1076351274 /nfs/dbraw/zinc/35/12/74/1076351274.db2.gz JFBBQMQDZORYLV-LBPRGKRZSA-N 0 1 386.420 -1.358 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)CCCC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728555 1076351173 /nfs/dbraw/zinc/35/11/73/1076351173.db2.gz OLWGDLYIKAUOBN-LLVKDONJSA-N 0 1 376.421 -1.121 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)CCCC(N)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728556 1076351240 /nfs/dbraw/zinc/35/12/40/1076351240.db2.gz OLWGDLYIKAUOBN-NSHDSACASA-N 0 1 376.421 -1.121 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728577 1076351185 /nfs/dbraw/zinc/35/11/85/1076351185.db2.gz PECGRWCAPUWDFO-DGCLKSJQSA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2CCCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728578 1076351229 /nfs/dbraw/zinc/35/12/29/1076351229.db2.gz PECGRWCAPUWDFO-WCQYABFASA-N 0 1 388.432 -1.108 20 0 GAADMN Cc1cc(NC[C@@H](O)CN(C)C(=O)CN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728581 1076351159 /nfs/dbraw/zinc/35/11/59/1076351159.db2.gz PGYIIWIZFUFDTG-CYBMUJFWSA-N 0 1 390.448 -1.445 20 0 GAADMN Cc1cc(NC[C@H](O)CN(C)C(=O)CN2CCOCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728582 1076351262 /nfs/dbraw/zinc/35/12/62/1076351262.db2.gz PGYIIWIZFUFDTG-ZDUSSCGKSA-N 0 1 390.448 -1.445 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)c2ccc(=O)n(C)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728636 1076351198 /nfs/dbraw/zinc/35/11/98/1076351198.db2.gz RWHFLIOCTNWYAI-GFCCVEGCSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)c2ccc(=O)n(C)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728637 1076351130 /nfs/dbraw/zinc/35/11/30/1076351130.db2.gz RWHFLIOCTNWYAI-LBPRGKRZSA-N 0 1 384.400 -1.106 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728665 1076351147 /nfs/dbraw/zinc/35/11/47/1076351147.db2.gz TZPLNACSKNRRMM-NEPJUHHUSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728666 1076351251 /nfs/dbraw/zinc/35/12/51/1076351251.db2.gz TZPLNACSKNRRMM-NWDGAFQWSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728667 1076351290 /nfs/dbraw/zinc/35/12/90/1076351290.db2.gz TZPLNACSKNRRMM-RYUDHWBXSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605728668 1076351319 /nfs/dbraw/zinc/35/13/19/1076351319.db2.gz TZPLNACSKNRRMM-VXGBXAGGSA-N 0 1 388.432 -1.251 20 0 GAADMN Cc1cc(NCC[C@@H](C)NC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605731389 1076351532 /nfs/dbraw/zinc/35/15/32/1076351532.db2.gz WPIFOTPKAWUJCO-SECBINFHSA-N 0 1 387.404 -1.149 20 0 GAADMN Cc1cc(NCC[C@H](C)NC(=O)CN2C(=O)CNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605731391 1076351663 /nfs/dbraw/zinc/35/16/63/1076351663.db2.gz WPIFOTPKAWUJCO-VIFPVBQESA-N 0 1 387.404 -1.149 20 0 GAADMN Cc1cc(NCCCN(C)C(=O)CN2CCNC(=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605734042 1076351463 /nfs/dbraw/zinc/35/14/63/1076351463.db2.gz TXCFDWYANNNGRT-UHFFFAOYSA-N 0 1 387.448 -1.316 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)CCn2cnnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605734487 1076351516 /nfs/dbraw/zinc/35/15/16/1076351516.db2.gz FNTRBBWXXFCTNP-UHFFFAOYSA-N 0 1 387.408 -1.698 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605734649 1076351605 /nfs/dbraw/zinc/35/16/05/1076351605.db2.gz INLDUYSEDDDOCL-GFCCVEGCSA-N 0 1 388.432 -1.297 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605734650 1076351592 /nfs/dbraw/zinc/35/15/92/1076351592.db2.gz INLDUYSEDDDOCL-LBPRGKRZSA-N 0 1 388.432 -1.297 20 0 GAADMN Cc1cc(NCCN(C)C(=O)CN2C(=O)CN(C)C2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605735111 1076351652 /nfs/dbraw/zinc/35/16/52/1076351652.db2.gz NPHRFJXFRHLMBS-UHFFFAOYSA-N 0 1 387.404 -1.244 20 0 GAADMN Cc1cc(NCCOCCN(C)C(=O)Cn2cnnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605735417 1076351526 /nfs/dbraw/zinc/35/15/26/1076351526.db2.gz CCPMIKQIJZJOQT-UHFFFAOYSA-N 0 1 387.408 -1.434 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@@]2(C)CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605735500 1076351623 /nfs/dbraw/zinc/35/16/23/1076351623.db2.gz STPHZXQVXMLAJC-KRWDZBQOSA-N 0 1 388.432 -1.249 20 0 GAADMN Cc1cc(NCCN(CCO)C(=O)[C@]2(C)CCNC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605735502 1076351548 /nfs/dbraw/zinc/35/15/48/1076351548.db2.gz STPHZXQVXMLAJC-QGZVFWFLSA-N 0 1 388.432 -1.249 20 0 GAADMN Cc1cc(NCCNC(=O)CCS(=O)(=O)N(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001605735838 1076351543 /nfs/dbraw/zinc/35/15/43/1076351543.db2.gz VNGOOEKXHBSVBH-UHFFFAOYSA-N 0 1 382.450 -1.198 20 0 GAADMN Cc1cc(NCCNC(=O)Cn2ccc(=O)n(C)c2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605735878 1076351453 /nfs/dbraw/zinc/35/14/53/1076351453.db2.gz IPPSOYQYAGPSJX-UHFFFAOYSA-N 0 1 385.388 -1.919 20 0 GAADMN Cc1cc(NC[C@@H](C)NC(=O)CN2CCC(=O)NC2=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605737443 1076351475 /nfs/dbraw/zinc/35/14/75/1076351475.db2.gz IAZMGTVMULITJQ-SNVBAGLBSA-N 0 1 387.404 -1.149 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605738391 1076351639 /nfs/dbraw/zinc/35/16/39/1076351639.db2.gz REAPAYQWIYVIIB-GXSJLCMTSA-N 0 1 380.434 -1.400 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605738392 1076351490 /nfs/dbraw/zinc/35/14/90/1076351490.db2.gz REAPAYQWIYVIIB-ONGXEEELSA-N 0 1 380.434 -1.400 20 0 GAADMN Cc1cc(NC[C@H](C)NC(=O)CCNS(C)(=O)=O)c(-c2nnn[n-]2)c[nH+]1 ZINC001605738408 1076351559 /nfs/dbraw/zinc/35/15/59/1076351559.db2.gz SCSUCWFIXOZHBJ-JTQLQIEISA-N 0 1 382.450 -1.152 20 0 GAADMN Cc1cc(N[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605740184 1076351835 /nfs/dbraw/zinc/35/18/35/1076351835.db2.gz QZEIXMGEWBJZKQ-JTQLQIEISA-N 0 1 385.388 -1.443 20 0 GAADMN Cc1cc(N[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001605740427 1076351875 /nfs/dbraw/zinc/35/18/75/1076351875.db2.gz WPHYISQNIXFWIP-IAQYHMDHSA-N 0 1 399.459 -1.317 20 0 GAADMN Cc1cc(N[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001605742047 1076351799 /nfs/dbraw/zinc/35/17/99/1076351799.db2.gz UKPBYWMITLZHSI-MGCOHNPYSA-N 0 1 385.388 -1.397 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)CCc3c[nH]nn3)C2)n1 ZINC001605767118 1076351808 /nfs/dbraw/zinc/35/18/08/1076351808.db2.gz CRVSNFXHDFQDRQ-CHWSQXEVSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)CCc3nc[nH]n3)[C@@H](O)C2)n1 ZINC001605769627 1076352177 /nfs/dbraw/zinc/35/21/77/1076352177.db2.gz ASCUOLADRAWMOS-NEPJUHHUSA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1ccc(NC(=O)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c(N(C)C)n1 ZINC001605868106 1076352791 /nfs/dbraw/zinc/35/27/91/1076352791.db2.gz CYPJCMANWIGIAX-UHFFFAOYSA-N 0 1 385.392 -1.017 20 0 GAADMN Cc1ccn(C[C@H](C)C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001605949488 1076353341 /nfs/dbraw/zinc/35/33/41/1076353341.db2.gz PUXGACQHFGAQJM-CMPLNLGQSA-N 0 1 386.420 -1.191 20 0 GAADMN Cc1ccn(C[C@H](C)C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001605949489 1076353517 /nfs/dbraw/zinc/35/35/17/1076353517.db2.gz PUXGACQHFGAQJM-JQWIXIFHSA-N 0 1 386.420 -1.191 20 0 GAADMN Cc1ccn(C[C@@H](C)C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001605949491 1076353472 /nfs/dbraw/zinc/35/34/72/1076353472.db2.gz PUXGACQHFGAQJM-PWSUYJOCSA-N 0 1 386.420 -1.191 20 0 GAADMN Cc1ccn(C[C@@H](C)C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001605949492 1076353327 /nfs/dbraw/zinc/35/33/27/1076353327.db2.gz PUXGACQHFGAQJM-ZYHUDNBSSA-N 0 1 386.420 -1.191 20 0 GAADMN Cc1ccnn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001605962537 1076353359 /nfs/dbraw/zinc/35/33/59/1076353359.db2.gz AOTGBCVNAIAZHM-NEPJUHHUSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1ccnn1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001605962538 1076353527 /nfs/dbraw/zinc/35/35/27/1076353527.db2.gz AOTGBCVNAIAZHM-NWDGAFQWSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1ccnn1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001605962539 1076353372 /nfs/dbraw/zinc/35/33/72/1076353372.db2.gz AOTGBCVNAIAZHM-RYUDHWBXSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1ccnn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001605962540 1076353490 /nfs/dbraw/zinc/35/34/90/1076353490.db2.gz AOTGBCVNAIAZHM-VXGBXAGGSA-N 0 1 384.404 -1.082 20 0 GAADMN Cc1cn(C(C)(C)C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001605968637 1076353736 /nfs/dbraw/zinc/35/37/36/1076353736.db2.gz AFCQPJIICORUDC-LLVKDONJSA-N 0 1 386.420 -1.092 20 0 GAADMN Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001605968642 1076353900 /nfs/dbraw/zinc/35/39/00/1076353900.db2.gz AFCQPJIICORUDC-NSHDSACASA-N 0 1 386.420 -1.092 20 0 GAADMN Cc1cnn(CCC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001605989824 1076353788 /nfs/dbraw/zinc/35/37/88/1076353788.db2.gz PNRGGGMIVRWAOT-GFCCVEGCSA-N 0 1 386.420 -1.095 20 0 GAADMN Cc1cnn(CCC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001605989825 1076353919 /nfs/dbraw/zinc/35/39/19/1076353919.db2.gz PNRGGGMIVRWAOT-LBPRGKRZSA-N 0 1 386.420 -1.095 20 0 GAADMN CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1 ZINC001605996982 1076353813 /nfs/dbraw/zinc/35/38/13/1076353813.db2.gz KWEZVTFAJYQEJK-KBXCAEBGSA-N 0 1 382.461 -1.358 20 0 GAADMN CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001605997178 1076354180 /nfs/dbraw/zinc/35/41/80/1076354180.db2.gz XFCZQGDOOBIKTH-CYBMUJFWSA-N 0 1 393.448 -1.545 20 0 GAADMN CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001605997178 1076354177 /nfs/dbraw/zinc/35/41/77/1076354177.db2.gz XFCZQGDOOBIKTH-CYBMUJFWSA-N 0 1 393.448 -1.545 20 0 GAADMN CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001605997179 1076354220 /nfs/dbraw/zinc/35/42/20/1076354220.db2.gz XFCZQGDOOBIKTH-ZDUSSCGKSA-N 0 1 393.448 -1.545 20 0 GAADMN CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001605997179 1076354216 /nfs/dbraw/zinc/35/42/16/1076354216.db2.gz XFCZQGDOOBIKTH-ZDUSSCGKSA-N 0 1 393.448 -1.545 20 0 GAADMN Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001606008969 1076354041 /nfs/dbraw/zinc/35/40/41/1076354041.db2.gz DUJRFQRYQVISKZ-NEPJUHHUSA-N 0 1 384.404 -1.095 20 0 GAADMN Cc1nc(CC(=O)NC[C@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)n[nH]1 ZINC001606009162 1076354029 /nfs/dbraw/zinc/35/40/29/1076354029.db2.gz CRMMIQKPLOAUQU-SECBINFHSA-N 0 1 376.356 -1.041 20 0 GAADMN Cc1nc(CC(=O)NC[C@@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)n[nH]1 ZINC001606009164 1076354055 /nfs/dbraw/zinc/35/40/55/1076354055.db2.gz CRMMIQKPLOAUQU-VIFPVBQESA-N 0 1 376.356 -1.041 20 0 GAADMN Cc1nnc(CC(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001606009988 1076354267 /nfs/dbraw/zinc/35/42/67/1076354267.db2.gz UCUXMYHRRZWVAB-JTQLQIEISA-N 0 1 385.392 -1.613 20 0 GAADMN Cc1nnc(CC(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001606009989 1076354074 /nfs/dbraw/zinc/35/40/74/1076354074.db2.gz UCUXMYHRRZWVAB-SNVBAGLBSA-N 0 1 385.392 -1.613 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001606014639 1076354147 /nfs/dbraw/zinc/35/41/47/1076354147.db2.gz PHMOJPVNGBPKEQ-JTQLQIEISA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nn[nH]c1C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001606014640 1076354101 /nfs/dbraw/zinc/35/41/01/1076354101.db2.gz PHMOJPVNGBPKEQ-SNVBAGLBSA-N 0 1 386.376 -1.108 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)NN3CC(=O)NC3=O)CC2)o1 ZINC001606019675 1076354594 /nfs/dbraw/zinc/35/45/94/1076354594.db2.gz NERHGPPSBWQFPD-UHFFFAOYSA-N 0 1 375.349 -1.037 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCn4ncnc4C3)CC2)o1 ZINC001606020022 1076354643 /nfs/dbraw/zinc/35/46/43/1076354643.db2.gz RXJXRLVHYHNOQT-UHFFFAOYSA-N 0 1 399.419 -1.081 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)NCCOCC(N)=O)CC2)o1 ZINC001606020199 1076354569 /nfs/dbraw/zinc/35/45/69/1076354569.db2.gz TWAXNPDICUAHJT-UHFFFAOYSA-N 0 1 378.393 -1.002 20 0 GAADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)o1 ZINC001606020358 1076354396 /nfs/dbraw/zinc/35/43/96/1076354396.db2.gz XCMAEOWSVZYAEI-BETUJISGSA-N 0 1 387.448 -1.037 20 0 GAADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)o1 ZINC001606020359 1076354555 /nfs/dbraw/zinc/35/45/55/1076354555.db2.gz XCMAEOWSVZYAEI-CHWSQXEVSA-N 0 1 387.448 -1.037 20 0 GAADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)o1 ZINC001606020360 1076354517 /nfs/dbraw/zinc/35/45/17/1076354517.db2.gz XCMAEOWSVZYAEI-STQMWFEESA-N 0 1 387.448 -1.037 20 0 GAADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(C)[C@@H]3COC[C@H]3O)CC2)o1 ZINC001606020499 1076354663 /nfs/dbraw/zinc/35/46/63/1076354663.db2.gz YWSMMZNMIJCJQV-VXGBXAGGSA-N 0 1 392.420 -1.497 20 0 GAADMN CN1CCN(CCN(CC(=O)[O-])C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001606027179 1076354412 /nfs/dbraw/zinc/35/44/12/1076354412.db2.gz IJAYXNQXKCZUMW-HNNXBMFYSA-N 0 1 383.493 -1.443 20 0 GAADMN CN1CCN(CCN(CC(=O)[O-])C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001606027180 1076354606 /nfs/dbraw/zinc/35/46/06/1076354606.db2.gz IJAYXNQXKCZUMW-OAHLLOKOSA-N 0 1 383.493 -1.443 20 0 GAADMN Cc1nc([C@H]2COCCN2C(=O)NCCn2cnc(-c3nn[nH]n3)n2)no1 ZINC001606039922 1076354964 /nfs/dbraw/zinc/35/49/64/1076354964.db2.gz GHOFORXVUIYCQT-SECBINFHSA-N 0 1 375.353 -1.067 20 0 GAADMN Cc1nc([C@@H]2COCCN2C(=O)NCCn2cnc(-c3nn[nH]n3)n2)no1 ZINC001606039954 1076355115 /nfs/dbraw/zinc/35/51/15/1076355115.db2.gz GHOFORXVUIYCQT-VIFPVBQESA-N 0 1 375.353 -1.067 20 0 GAADMN Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(-c4nn[nH]n4)cn3)CC2)n[nH]1 ZINC001606041998 1076355241 /nfs/dbraw/zinc/35/52/41/1076355241.db2.gz DMIKHKMOPGILIY-UHFFFAOYSA-N 0 1 397.403 -1.029 20 0 GAADMN Cc1nc(N2CC[C@](O)(CNC(=O)Cc3nnc[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001606051149 1076355227 /nfs/dbraw/zinc/35/52/27/1076355227.db2.gz KYWNYMBILMXRNI-INIZCTEOSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1nc(N2CC[C@@](O)(CNC(=O)Cc3nnc[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001606051150 1076355123 /nfs/dbraw/zinc/35/51/23/1076355123.db2.gz KYWNYMBILMXRNI-MRXNPFEDSA-N 0 1 384.404 -1.012 20 0 GAADMN Cc1nc(NC(=O)C(=O)N2CCN(Cc3nnc[nH]3)CC2)ccc1-c1nn[nH]n1 ZINC001606058350 1076355625 /nfs/dbraw/zinc/35/56/25/1076355625.db2.gz XBKMHUAIBFKSFR-UHFFFAOYSA-N 0 1 397.403 -1.029 20 0 GAADMN Cc1ncc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cc1-c1nn[nH]n1 ZINC001606091418 1076356023 /nfs/dbraw/zinc/35/60/23/1076356023.db2.gz CAVXQSTUAHYXAY-UHFFFAOYSA-N 0 1 380.434 -1.378 20 0 GAADMN Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001606107287 1076356400 /nfs/dbraw/zinc/35/64/00/1076356400.db2.gz LCOCFOMOBMGOEX-MNOVXSKESA-N 0 1 384.404 -1.013 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001606109833 1076356624 /nfs/dbraw/zinc/35/66/24/1076356624.db2.gz ZEGVDTCHOAEUJR-MRVPVSSYSA-N 0 1 376.356 -1.538 20 0 GAADMN Cc1nn(C)c(F)c1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001606109834 1076356608 /nfs/dbraw/zinc/35/66/08/1076356608.db2.gz ZEGVDTCHOAEUJR-QMMMGPOBSA-N 0 1 376.356 -1.538 20 0 GAADMN Cc1nn(C)c(N2CCN(C[C@H](O)C[C@]3(O)CCOC3)CC2)c1-c1nn[nH]n1 ZINC001606110494 1076356786 /nfs/dbraw/zinc/35/67/86/1076356786.db2.gz UYCBIYWGFJZRJD-CXAGYDPISA-N 0 1 392.464 -1.067 20 0 GAADMN Cc1nn(C)c(N2CCN(C[C@H](O)C[C@@]3(O)CCOC3)CC2)c1-c1nn[nH]n1 ZINC001606110499 1076356515 /nfs/dbraw/zinc/35/65/15/1076356515.db2.gz UYCBIYWGFJZRJD-DYVFJYSZSA-N 0 1 392.464 -1.067 20 0 GAADMN Cc1nn(C)c(N2CCN(C[C@@H](O)C[C@@]3(O)CCOC3)CC2)c1-c1nn[nH]n1 ZINC001606110501 1076356571 /nfs/dbraw/zinc/35/65/71/1076356571.db2.gz UYCBIYWGFJZRJD-GUYCJALGSA-N 0 1 392.464 -1.067 20 0 GAADMN Cc1nn(C)c(N2CCN(C[C@@H](O)C[C@]3(O)CCOC3)CC2)c1-c1nn[nH]n1 ZINC001606110504 1076356554 /nfs/dbraw/zinc/35/65/54/1076356554.db2.gz UYCBIYWGFJZRJD-SUMWQHHRSA-N 0 1 392.464 -1.067 20 0 GAADMN Cc1nn(C)cc1CC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001606114012 1076357130 /nfs/dbraw/zinc/35/71/30/1076357130.db2.gz PNXRCMNRZLHYDG-UHFFFAOYSA-N 0 1 386.420 -1.404 20 0 GAADMN Cc1nn(CC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(=O)n1C ZINC001606114918 1076357184 /nfs/dbraw/zinc/35/71/84/1076357184.db2.gz AWVXFUNCKJSLFA-AOOOYVTPSA-N 0 1 385.392 -1.958 20 0 GAADMN Cc1nn(CC(=O)N(C)CCCNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001606114933 1076357100 /nfs/dbraw/zinc/35/71/00/1076357100.db2.gz BJNLCXGYAAWUKU-UHFFFAOYSA-N 0 1 386.420 -1.152 20 0 GAADMN Cc1nn(CC(=O)N[C@@H](C)CCNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001606114987 1076356969 /nfs/dbraw/zinc/35/69/69/1076356969.db2.gz GDEPEDHDOPTBQC-JTQLQIEISA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1nn(CC(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)c(=O)n1C ZINC001606114988 1076357106 /nfs/dbraw/zinc/35/71/06/1076357106.db2.gz GDEPEDHDOPTBQC-SNVBAGLBSA-N 0 1 386.420 -1.106 20 0 GAADMN Cc1nnc(CC(=O)N(C)C[C@@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)o1 ZINC001606119734 1076357495 /nfs/dbraw/zinc/35/74/95/1076357495.db2.gz IXFHUMGDQPMITA-JTQLQIEISA-N 0 1 388.392 -1.154 20 0 GAADMN Cc1nnc(CC(=O)N(C)C[C@H](O)CN(C)c2ccnc(-c3nn[nH]n3)n2)o1 ZINC001606119735 1076357320 /nfs/dbraw/zinc/35/73/20/1076357320.db2.gz IXFHUMGDQPMITA-SNVBAGLBSA-N 0 1 388.392 -1.154 20 0 GAADMN CN(CCCNC(=O)C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC001606122326 1076357611 /nfs/dbraw/zinc/35/76/11/1076357611.db2.gz NOMMNVONMKQXPS-SWLSCSKDSA-N 0 1 377.463 -1.193 20 0 GAADMN CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606125747 1076357519 /nfs/dbraw/zinc/35/75/19/1076357519.db2.gz QCJHWQUYWIOVRS-GOSISDBHSA-N 0 1 382.461 -1.073 20 0 GAADMN CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606125748 1076357565 /nfs/dbraw/zinc/35/75/65/1076357565.db2.gz QCJHWQUYWIOVRS-SFHVURJKSA-N 0 1 382.461 -1.073 20 0 GAADMN C[N@@H+](CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)CC(=O)[O-] ZINC001606132776 1076357413 /nfs/dbraw/zinc/35/74/13/1076357413.db2.gz DBAPSGYEMZAXAT-UHFFFAOYSA-N 0 1 398.441 -1.447 20 0 GAADMN C[N@@H+](CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)CC(=O)[O-] ZINC001606132910 1076357771 /nfs/dbraw/zinc/35/77/71/1076357771.db2.gz GHBBDPDXVKHTOY-UHFFFAOYSA-N 0 1 398.441 -1.447 20 0 GAADMN Cc1nonc1CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001606138718 1076357744 /nfs/dbraw/zinc/35/77/44/1076357744.db2.gz ZPZFFOVAFAEEQZ-JTQLQIEISA-N 0 1 386.376 -1.088 20 0 GAADMN Cc1nonc1CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001606138719 1076357872 /nfs/dbraw/zinc/35/78/72/1076357872.db2.gz ZPZFFOVAFAEEQZ-SNVBAGLBSA-N 0 1 386.376 -1.088 20 0 GAADMN CN(Cc1cn(C)nn1)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606172693 1076358134 /nfs/dbraw/zinc/35/81/34/1076358134.db2.gz RGWBLCMMWBDXRV-INIZCTEOSA-N 0 1 380.405 -1.839 20 0 GAADMN CN(Cc1cn(C)nn1)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606172694 1076358072 /nfs/dbraw/zinc/35/80/72/1076358072.db2.gz RGWBLCMMWBDXRV-MRXNPFEDSA-N 0 1 380.405 -1.839 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(-c2nn[n-]n2)c1=O ZINC001606201867 1076358551 /nfs/dbraw/zinc/35/85/51/1076358551.db2.gz GYDPDHDDKZCJJN-LLVKDONJSA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(-c2nn[n-]n2)c1=O ZINC001606201868 1076358500 /nfs/dbraw/zinc/35/85/00/1076358500.db2.gz GYDPDHDDKZCJJN-NSHDSACASA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(=O)[nH]c(N2CCC(C)([NH+]3CCOCC3)CC2)c(-c2nn[n-]n2)c1=O ZINC001606202491 1076358860 /nfs/dbraw/zinc/35/88/60/1076358860.db2.gz NWRXHHMSWDLBGR-UHFFFAOYSA-N 0 1 376.421 -1.055 20 0 GAADMN Cn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001606203558 1076358809 /nfs/dbraw/zinc/35/88/09/1076358809.db2.gz VCYUWPWEAJZNLK-UHFFFAOYSA-N 0 1 379.410 -1.533 20 0 GAADMN Cn1c(=O)cccc1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001606208063 1076359027 /nfs/dbraw/zinc/35/90/27/1076359027.db2.gz QZDMREYJWPAPJS-UHFFFAOYSA-N 0 1 384.400 -1.071 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](C[NH+]3CCOCC3)C2)n(C)c1=O ZINC001606217075 1076359172 /nfs/dbraw/zinc/35/91/72/1076359172.db2.gz ADNJGWAMLJIMJK-GFCCVEGCSA-N 0 1 390.448 -1.187 20 0 GAADMN Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([NH+]3CCOCC3)CC2)n(C)c1=O ZINC001606217821 1076360073 /nfs/dbraw/zinc/36/00/73/1076360073.db2.gz VCDGFCYSLZVEDK-UHFFFAOYSA-N 0 1 376.421 -1.435 20 0 GAADMN C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC001606219739 1076360252 /nfs/dbraw/zinc/36/02/52/1076360252.db2.gz RCUKRMDXBLDVMQ-KRWDZBQOSA-N 0 1 378.385 -1.378 20 0 GAADMN C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC001606219740 1076360465 /nfs/dbraw/zinc/36/04/65/1076360465.db2.gz RCUKRMDXBLDVMQ-QGZVFWFLSA-N 0 1 378.385 -1.378 20 0 GAADMN C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)CC1 ZINC001606229393 1076360592 /nfs/dbraw/zinc/36/05/92/1076360592.db2.gz XFXDXKHZCPIKMC-HDJSIYSDSA-N 0 1 380.445 -1.022 20 0 GAADMN Cn1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)n(C)c1=O ZINC001606229767 1076360546 /nfs/dbraw/zinc/36/05/46/1076360546.db2.gz AYYZCGQYCAQQNC-UHFFFAOYSA-N 0 1 384.404 -1.168 20 0 GAADMN Cn1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)n(C)c1=O ZINC001606230042 1076360582 /nfs/dbraw/zinc/36/05/82/1076360582.db2.gz QGVWBIQRKVJQBA-UHFFFAOYSA-N 0 1 388.392 -2.338 20 0 GAADMN CN1CCN(C(=O)C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)CCC1=O ZINC001606230207 1076360665 /nfs/dbraw/zinc/36/06/65/1076360665.db2.gz WIKNZTSANAAVER-KRWDZBQOSA-N 0 1 382.417 -1.935 20 0 GAADMN CN1CCN(C(=O)C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)CCC1=O ZINC001606230208 1076360621 /nfs/dbraw/zinc/36/06/21/1076360621.db2.gz WIKNZTSANAAVER-QGZVFWFLSA-N 0 1 382.417 -1.935 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001606230281 1076360677 /nfs/dbraw/zinc/36/06/77/1076360677.db2.gz WRNXJHBGIOSABJ-INIZCTEOSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cc(C(=O)N2CCC[C@@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001606230282 1076360691 /nfs/dbraw/zinc/36/06/91/1076360691.db2.gz WRNXJHBGIOSABJ-MRXNPFEDSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c(=O)[nH]c1=O ZINC001606230287 1076360437 /nfs/dbraw/zinc/36/04/37/1076360437.db2.gz XGOHGKXXFDBFOO-VIFPVBQESA-N 0 1 383.372 -1.191 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)n(C)c1=O ZINC001606230429 1076360849 /nfs/dbraw/zinc/36/08/49/1076360849.db2.gz JBWHZGAPKXWFRR-UKRRQHHQSA-N 0 1 398.427 -1.121 20 0 GAADMN Cn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)ccc1=O ZINC001606230511 1076360819 /nfs/dbraw/zinc/36/08/19/1076360819.db2.gz QQBCYCCIYAFFBC-MNOVXSKESA-N 0 1 383.372 -1.665 20 0 GAADMN Cn1cc(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]c1=O ZINC001606231168 1076361012 /nfs/dbraw/zinc/36/10/12/1076361012.db2.gz PSEYCLFFSADSLI-HNNXBMFYSA-N 0 1 386.376 -1.533 20 0 GAADMN Cn1cc(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]c1=O ZINC001606231173 1076360933 /nfs/dbraw/zinc/36/09/33/1076360933.db2.gz PSEYCLFFSADSLI-OAHLLOKOSA-N 0 1 386.376 -1.533 20 0 GAADMN Cn1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(Cl)n1 ZINC001606231181 1076360970 /nfs/dbraw/zinc/36/09/70/1076360970.db2.gz PUOZQPFZCFGZAF-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c(Cl)n1 ZINC001606231182 1076361275 /nfs/dbraw/zinc/36/12/75/1076361275.db2.gz PUOZQPFZCFGZAF-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n(C)c1=O ZINC001606231797 1076361160 /nfs/dbraw/zinc/36/11/60/1076361160.db2.gz CUDHWCPOVRHFIT-AOOOYVTPSA-N 0 1 384.404 -1.264 20 0 GAADMN C[NH+]1CCN(C(=O)N2CCN(C(=O)CN3CCC[C@H](C(=O)[O-])C3=O)CC2)CC1 ZINC001606233477 1076361346 /nfs/dbraw/zinc/36/13/46/1076361346.db2.gz RQBYEBMGBYVCOZ-AWEZNQCLSA-N 0 1 395.460 -1.179 20 0 GAADMN C[NH+]1CCN(C(=O)N2CCN(C(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)CC2)CC1 ZINC001606233478 1076361834 /nfs/dbraw/zinc/36/18/34/1076361834.db2.gz RQBYEBMGBYVCOZ-CQSZACIVSA-N 0 1 395.460 -1.179 20 0 GAADMN Cn1c(=O)c2cc(C(=O)N3CC[N@@H+](C)C[C@@H](C(=O)[O-])C3)cnc2n(C)c1=O ZINC001606235129 1076361588 /nfs/dbraw/zinc/36/15/88/1076361588.db2.gz CFTXBHAWJWUHIO-LLVKDONJSA-N 0 1 375.385 -1.279 20 0 GAADMN Cn1c(=O)c2cc(C(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)cnc2n(C)c1=O ZINC001606235131 1076361616 /nfs/dbraw/zinc/36/16/16/1076361616.db2.gz CFTXBHAWJWUHIO-NSHDSACASA-N 0 1 375.385 -1.279 20 0 GAADMN Cn1c(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)nc2n(C)c1=O ZINC001606235406 1076361854 /nfs/dbraw/zinc/36/18/54/1076361854.db2.gz HYPBEDQZWFHPCG-JTQLQIEISA-N 0 1 375.385 -1.279 20 0 GAADMN Cn1c(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H](C(=O)[O-])C3)nc2n(C)c1=O ZINC001606235407 1076361801 /nfs/dbraw/zinc/36/18/01/1076361801.db2.gz HYPBEDQZWFHPCG-SNVBAGLBSA-N 0 1 375.385 -1.279 20 0 GAADMN Cn1cc(CCC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 ZINC001606236695 1076361769 /nfs/dbraw/zinc/36/17/69/1076361769.db2.gz AHBJEQYXFIOJKH-VXGBXAGGSA-N 0 1 384.404 -1.311 20 0 GAADMN Cn1cc(CN2CCN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001606239560 1076361606 /nfs/dbraw/zinc/36/16/06/1076361606.db2.gz PSAWKPHPLUVYQO-UHFFFAOYSA-N 0 1 386.424 -1.281 20 0 GAADMN Cn1cc(CC(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001606240566 1076361787 /nfs/dbraw/zinc/36/17/87/1076361787.db2.gz PXQQAARFCRVVOD-GFCCVEGCSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1cc(CC(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001606240567 1076361666 /nfs/dbraw/zinc/36/16/66/1076361666.db2.gz PXQQAARFCRVVOD-LBPRGKRZSA-N 0 1 384.404 -1.046 20 0 GAADMN Cn1cc(CC(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001606241288 1076361968 /nfs/dbraw/zinc/36/19/68/1076361968.db2.gz YIRLQWGDFUMXGO-INIZCTEOSA-N 0 1 384.404 -1.310 20 0 GAADMN Cn1cc(CC(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001606241289 1076362181 /nfs/dbraw/zinc/36/21/81/1076362181.db2.gz YIRLQWGDFUMXGO-MRXNPFEDSA-N 0 1 384.404 -1.310 20 0 GAADMN Cn1cc(Cl)c(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001606242412 1076362446 /nfs/dbraw/zinc/36/24/46/1076362446.db2.gz XFIDYQPUKBGZCQ-SSDOTTSWSA-N 0 1 378.784 -1.332 20 0 GAADMN Cn1cc(Cl)c(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001606242413 1076362487 /nfs/dbraw/zinc/36/24/87/1076362487.db2.gz XFIDYQPUKBGZCQ-ZETCQYMHSA-N 0 1 378.784 -1.332 20 0 GAADMN C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)CC1(C)C ZINC001606242845 1076362417 /nfs/dbraw/zinc/36/24/17/1076362417.db2.gz XWSZQWNCZMJWIU-AWEZNQCLSA-N 0 1 384.477 -1.187 20 0 GAADMN C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1(C)C ZINC001606242846 1076362390 /nfs/dbraw/zinc/36/23/90/1076362390.db2.gz XWSZQWNCZMJWIU-CQSZACIVSA-N 0 1 384.477 -1.187 20 0 GAADMN Cn1cc(N2CCN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)CC2=O)cn1 ZINC001606242960 1076362357 /nfs/dbraw/zinc/36/23/57/1076362357.db2.gz FEEHIRDLWDMHCJ-UHFFFAOYSA-N 0 1 386.380 -1.750 20 0 GAADMN Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 ZINC001606243640 1076362522 /nfs/dbraw/zinc/36/25/22/1076362522.db2.gz NOCQGRMOALBYPZ-UMSGYPCISA-N 0 1 396.415 -1.140 20 0 GAADMN C[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H](C(=O)[O-])C1 ZINC001606244659 1076362432 /nfs/dbraw/zinc/36/24/32/1076362432.db2.gz IAZSETQPYJPACN-JTQLQIEISA-N 0 1 377.444 -1.029 20 0 GAADMN C[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H](C(=O)[O-])C1 ZINC001606244659 1076362430 /nfs/dbraw/zinc/36/24/30/1076362430.db2.gz IAZSETQPYJPACN-JTQLQIEISA-N 0 1 377.444 -1.029 20 0 GAADMN C[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H](C(=O)[O-])C1 ZINC001606244660 1076362372 /nfs/dbraw/zinc/36/23/72/1076362372.db2.gz IAZSETQPYJPACN-SNVBAGLBSA-N 0 1 377.444 -1.029 20 0 GAADMN C[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H](C(=O)[O-])C1 ZINC001606244660 1076362368 /nfs/dbraw/zinc/36/23/68/1076362368.db2.gz IAZSETQPYJPACN-SNVBAGLBSA-N 0 1 377.444 -1.029 20 0 GAADMN C[N@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H](C(=O)[O-])C1 ZINC001606245032 1076362929 /nfs/dbraw/zinc/36/29/29/1076362929.db2.gz PFPBGJAYTQYSQA-JTQLQIEISA-N 0 1 377.444 -1.029 20 0 GAADMN C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H](C(=O)[O-])C1 ZINC001606245032 1076362924 /nfs/dbraw/zinc/36/29/24/1076362924.db2.gz PFPBGJAYTQYSQA-JTQLQIEISA-N 0 1 377.444 -1.029 20 0 GAADMN C[N@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C(=O)[O-])C1 ZINC001606245033 1076362748 /nfs/dbraw/zinc/36/27/48/1076362748.db2.gz PFPBGJAYTQYSQA-SNVBAGLBSA-N 0 1 377.444 -1.029 20 0 GAADMN C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C(=O)[O-])C1 ZINC001606245033 1076362745 /nfs/dbraw/zinc/36/27/45/1076362745.db2.gz PFPBGJAYTQYSQA-SNVBAGLBSA-N 0 1 377.444 -1.029 20 0 GAADMN Cn1ccc(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001606246150 1076362871 /nfs/dbraw/zinc/36/28/71/1076362871.db2.gz ZUDSTHIUSNGUKQ-UHFFFAOYSA-N 0 1 384.404 -1.109 20 0 GAADMN Cn1cc[nH+]c1N1CCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)CC1 ZINC001606256458 1076363253 /nfs/dbraw/zinc/36/32/53/1076363253.db2.gz OJAPRHJKRSLSJA-UHFFFAOYSA-N 0 1 386.376 -1.789 20 0 GAADMN Cn1ccnc1COCC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001606256472 1076363087 /nfs/dbraw/zinc/36/30/87/1076363087.db2.gz PKFAKAKCLLTPST-LLVKDONJSA-N 0 1 387.404 -1.477 20 0 GAADMN Cn1ccnc1COCC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001606256473 1076363140 /nfs/dbraw/zinc/36/31/40/1076363140.db2.gz PKFAKAKCLLTPST-NSHDSACASA-N 0 1 387.404 -1.477 20 0 GAADMN Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)cc1=O ZINC001606260339 1076363240 /nfs/dbraw/zinc/36/32/40/1076363240.db2.gz FQWOJVQKYDPJQC-HUUCEWRRSA-N 0 1 396.411 -1.065 20 0 GAADMN Cn1cnc(C(=O)NC2(CNc3ccnc(-c4nn[nH]n4)n3)CCOCC2)n1 ZINC001606260472 1076363224 /nfs/dbraw/zinc/36/32/24/1076363224.db2.gz JSTOCEZHJHQNGX-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1cnc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1=O ZINC001606260901 1076363152 /nfs/dbraw/zinc/36/31/52/1076363152.db2.gz PVBNVJZILNNTGE-AOOOYVTPSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1cnc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1=O ZINC001606260902 1076363570 /nfs/dbraw/zinc/36/35/70/1076363570.db2.gz PVBNVJZILNNTGE-UHFFFAOYSA-N 0 1 382.388 -1.207 20 0 GAADMN Cn1cnc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCOCC2)n1 ZINC001606260949 1076363584 /nfs/dbraw/zinc/36/35/84/1076363584.db2.gz SOOQOVNDPSCAJE-UHFFFAOYSA-N 0 1 385.392 -1.402 20 0 GAADMN Cn1cncc1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606264031 1076363720 /nfs/dbraw/zinc/36/37/20/1076363720.db2.gz KWJWVAVQEYGQCT-UHFFFAOYSA-N 0 1 383.420 -1.058 20 0 GAADMN Cn1cnn(CC(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1=O ZINC001606264865 1076363936 /nfs/dbraw/zinc/36/39/36/1076363936.db2.gz CLMSYLDDGZOBJF-UHFFFAOYSA-N 0 1 385.392 -1.709 20 0 GAADMN Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)c1=O ZINC001606264989 1076364133 /nfs/dbraw/zinc/36/41/33/1076364133.db2.gz IOHVZTMRCOHYEL-UWVGGRQHSA-N 0 1 383.376 -1.958 20 0 GAADMN Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001606265394 1076363894 /nfs/dbraw/zinc/36/38/94/1076363894.db2.gz XERXWROIWFDLQE-PRULPYPASA-N 0 1 396.415 -1.140 20 0 GAADMN Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001606265395 1076364051 /nfs/dbraw/zinc/36/40/51/1076364051.db2.gz XERXWROIWFDLQE-UZWSLXQKSA-N 0 1 396.415 -1.140 20 0 GAADMN Cn1cnn(CC(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001606265882 1076364439 /nfs/dbraw/zinc/36/44/39/1076364439.db2.gz RRJAWFFDAMXQTQ-XYPYZODXSA-N 0 1 384.404 -1.414 20 0 GAADMN Cn1nc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)ccc1=O ZINC001606267216 1076364426 /nfs/dbraw/zinc/36/44/26/1076364426.db2.gz ZRIRBHZTNZXXIB-CABCVRRESA-N 0 1 396.411 -1.065 20 0 GAADMN Cn1cnnc1COCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606268617 1076364479 /nfs/dbraw/zinc/36/44/79/1076364479.db2.gz FMWIFPZZMRDMEL-UHFFFAOYSA-N 0 1 385.392 -1.515 20 0 GAADMN Cn1nc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)ccc1=O ZINC001606269458 1076364905 /nfs/dbraw/zinc/36/49/05/1076364905.db2.gz NGJOQMGGDGPNDX-JTQLQIEISA-N 0 1 382.388 -1.111 20 0 GAADMN CNC(=O)CCCN(C)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606269899 1076364843 /nfs/dbraw/zinc/36/48/43/1076364843.db2.gz UEJPKPXMXJHOJM-KRWDZBQOSA-N 0 1 384.433 -1.641 20 0 GAADMN CNC(=O)CCCN(C)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606269900 1076364826 /nfs/dbraw/zinc/36/48/26/1076364826.db2.gz UEJPKPXMXJHOJM-QGZVFWFLSA-N 0 1 384.433 -1.641 20 0 GAADMN Cn1nc2c(c1C(=O)N[C@@H]1CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]1O)CCC2 ZINC001606270474 1076364745 /nfs/dbraw/zinc/36/47/45/1076364745.db2.gz KVTHLOVZMTXGQH-NEPJUHHUSA-N 0 1 396.415 -1.142 20 0 GAADMN Cn1nc2c(c1C(=O)NC[C@H](O)CNc1ccnc(-c3nn[nH]n3)n1)CCC2 ZINC001606271610 1076364863 /nfs/dbraw/zinc/36/48/63/1076364863.db2.gz PHXUYXLIOITGJV-SECBINFHSA-N 0 1 384.404 -1.496 20 0 GAADMN Cn1nc2c(c1C(=O)NC[C@@H](O)CNc1ccnc(-c3nn[nH]n3)n1)CCC2 ZINC001606271611 1076364787 /nfs/dbraw/zinc/36/47/87/1076364787.db2.gz PHXUYXLIOITGJV-VIFPVBQESA-N 0 1 384.404 -1.496 20 0 GAADMN Cn1nc2c(c1C(=O)NC[C@H](CO)Nc1ccnc(-c3nn[nH]n3)n1)CCC2 ZINC001606271856 1076364766 /nfs/dbraw/zinc/36/47/66/1076364766.db2.gz UVSKOXICAQXQNL-SECBINFHSA-N 0 1 384.404 -1.496 20 0 GAADMN Cn1nc2c(c1C(=O)NC[C@@H](CO)Nc1ccnc(-c3nn[nH]n3)n1)CCC2 ZINC001606271857 1076365202 /nfs/dbraw/zinc/36/52/02/1076365202.db2.gz UVSKOXICAQXQNL-VIFPVBQESA-N 0 1 384.404 -1.496 20 0 GAADMN CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)n1 ZINC001606277334 1076365109 /nfs/dbraw/zinc/36/51/09/1076365109.db2.gz KELBSGRLHFRFGM-JTQLQIEISA-N 0 1 381.393 -2.030 20 0 GAADMN CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)n1 ZINC001606277338 1076365335 /nfs/dbraw/zinc/36/53/35/1076365335.db2.gz KELBSGRLHFRFGM-SNVBAGLBSA-N 0 1 381.393 -2.030 20 0 GAADMN Cn1nccc1COCC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001606282741 1076365528 /nfs/dbraw/zinc/36/55/28/1076365528.db2.gz UYJXRUAVPUSHBW-GFCCVEGCSA-N 0 1 387.404 -1.477 20 0 GAADMN Cn1nccc1COCC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001606282742 1076365522 /nfs/dbraw/zinc/36/55/22/1076365522.db2.gz UYJXRUAVPUSHBW-LBPRGKRZSA-N 0 1 387.404 -1.477 20 0 GAADMN Cn1nnc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@]3(C)C2)n1 ZINC001606284275 1076365671 /nfs/dbraw/zinc/36/56/71/1076365671.db2.gz FHEIIOILRANJHJ-PSLIRLAXSA-N 0 1 382.392 -1.221 20 0 GAADMN Cn1nnc(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)n1 ZINC001606284293 1076365586 /nfs/dbraw/zinc/36/55/86/1076365586.db2.gz GHIYLEVJTJWBKX-ZJUUUORDSA-N 0 1 382.392 -1.221 20 0 GAADMN NC(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606398809 1076367105 /nfs/dbraw/zinc/36/71/05/1076367105.db2.gz CUVDUZMPRNGOJY-PWSUYJOCSA-N 0 1 387.404 -1.628 20 0 GAADMN NC(=O)C(=O)N1CC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)[C@H]2COC[C@H]21 ZINC001606399093 1076367455 /nfs/dbraw/zinc/36/74/55/1076367455.db2.gz MKRKKINDWUVAJI-WDEREUQCSA-N 0 1 399.415 -1.414 20 0 GAADMN NC(=O)C(=O)NCCN1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001606400990 1076367975 /nfs/dbraw/zinc/36/79/75/1076367975.db2.gz UPMGLOJNLLNHRS-UHFFFAOYSA-N 0 1 385.841 -1.300 20 0 GAADMN NC(=O)C1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)CC1 ZINC001606404149 1076368295 /nfs/dbraw/zinc/36/82/95/1076368295.db2.gz GJUCQTYGUOFHMM-JTQLQIEISA-N 0 1 387.404 -1.366 20 0 GAADMN NC(=O)C1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)CC1 ZINC001606404150 1076368387 /nfs/dbraw/zinc/36/83/87/1076368387.db2.gz GJUCQTYGUOFHMM-SNVBAGLBSA-N 0 1 387.404 -1.366 20 0 GAADMN NC(=O)C1(C(=O)N2CCCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001606404969 1076368319 /nfs/dbraw/zinc/36/83/19/1076368319.db2.gz HCTIYPQFNPPVLC-LLVKDONJSA-N 0 1 386.416 -1.022 20 0 GAADMN NC(=O)C1(C(=O)N2CCCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001606404971 1076368396 /nfs/dbraw/zinc/36/83/96/1076368396.db2.gz HCTIYPQFNPPVLC-NSHDSACASA-N 0 1 386.416 -1.022 20 0 GAADMN NC(=O)[C@H]1CC[C@H](CNCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)O1 ZINC001606411358 1076368714 /nfs/dbraw/zinc/36/87/14/1076368714.db2.gz WPDKOPOEUHWNRZ-GHMZBOCLSA-N 0 1 381.418 -1.342 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](CNCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)O1 ZINC001606411359 1076368684 /nfs/dbraw/zinc/36/86/84/1076368684.db2.gz WPDKOPOEUHWNRZ-MNOVXSKESA-N 0 1 381.418 -1.342 20 0 GAADMN NC(=O)[C@@H]1CC[C@@H](CNCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)O1 ZINC001606411360 1076369145 /nfs/dbraw/zinc/36/91/45/1076369145.db2.gz WPDKOPOEUHWNRZ-QWRGUYRKSA-N 0 1 381.418 -1.342 20 0 GAADMN NC(=O)[C@H]1CC[C@@H](CNCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)O1 ZINC001606411361 1076369205 /nfs/dbraw/zinc/36/92/05/1076369205.db2.gz WPDKOPOEUHWNRZ-WDEREUQCSA-N 0 1 381.418 -1.342 20 0 GAADMN NC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001606419355 1076369769 /nfs/dbraw/zinc/36/97/69/1076369769.db2.gz ODSWJUBMRMLQQQ-GHMZBOCLSA-N 0 1 386.420 -1.118 20 0 GAADMN NC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001606419359 1076369875 /nfs/dbraw/zinc/36/98/75/1076369875.db2.gz ODSWJUBMRMLQQQ-WDEREUQCSA-N 0 1 386.420 -1.118 20 0 GAADMN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)O1 ZINC001606424189 1076370359 /nfs/dbraw/zinc/37/03/59/1076370359.db2.gz CJHHCNYXXYXAIB-LDMBFOFVSA-N 0 1 399.415 -1.085 20 0 GAADMN COC(=O)[C@H]1C[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC001606424889 1076370565 /nfs/dbraw/zinc/37/05/65/1076370565.db2.gz BRCRUQZRTZMLEE-NEPJUHHUSA-N 0 1 391.446 -1.668 20 0 GAADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC001606424890 1076370604 /nfs/dbraw/zinc/37/06/04/1076370604.db2.gz BRCRUQZRTZMLEE-NWDGAFQWSA-N 0 1 391.446 -1.668 20 0 GAADMN COC(=O)[C@H]1C[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC001606424891 1076370553 /nfs/dbraw/zinc/37/05/53/1076370553.db2.gz BRCRUQZRTZMLEE-RYUDHWBXSA-N 0 1 391.446 -1.668 20 0 GAADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC001606424892 1076370576 /nfs/dbraw/zinc/37/05/76/1076370576.db2.gz BRCRUQZRTZMLEE-VXGBXAGGSA-N 0 1 391.446 -1.668 20 0 GAADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606427037 1076370908 /nfs/dbraw/zinc/37/09/08/1076370908.db2.gz ULRCBMMHIXWUEG-MNOVXSKESA-N 0 1 386.420 -1.984 20 0 GAADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001606428308 1076370991 /nfs/dbraw/zinc/37/09/91/1076370991.db2.gz BTMHOSVWAGGFBD-GHMZBOCLSA-N 0 1 379.435 -1.810 20 0 GAADMN COC(=O)[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001606428309 1076371014 /nfs/dbraw/zinc/37/10/14/1076371014.db2.gz BTMHOSVWAGGFBD-MNOVXSKESA-N 0 1 379.435 -1.810 20 0 GAADMN COC(=O)[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001606428310 1076371076 /nfs/dbraw/zinc/37/10/76/1076371076.db2.gz BTMHOSVWAGGFBD-QWRGUYRKSA-N 0 1 379.435 -1.810 20 0 GAADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001606428311 1076371057 /nfs/dbraw/zinc/37/10/57/1076371057.db2.gz BTMHOSVWAGGFBD-WDEREUQCSA-N 0 1 379.435 -1.810 20 0 GAADMN [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001606436196 1076371403 /nfs/dbraw/zinc/37/14/03/1076371403.db2.gz RLASKTRNLHPWML-GFCCVEGCSA-N 0 1 385.432 -1.236 20 0 GAADMN [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001606436196 1076371399 /nfs/dbraw/zinc/37/13/99/1076371399.db2.gz RLASKTRNLHPWML-GFCCVEGCSA-N 0 1 385.432 -1.236 20 0 GAADMN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001606436197 1076371417 /nfs/dbraw/zinc/37/14/17/1076371417.db2.gz RLASKTRNLHPWML-LBPRGKRZSA-N 0 1 385.432 -1.236 20 0 GAADMN [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001606436197 1076371415 /nfs/dbraw/zinc/37/14/15/1076371415.db2.gz RLASKTRNLHPWML-LBPRGKRZSA-N 0 1 385.432 -1.236 20 0 GAADMN NS(=O)(=O)CCCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001606442625 1076371819 /nfs/dbraw/zinc/37/18/19/1076371819.db2.gz OILFVZRCAOODEV-UHFFFAOYSA-N 0 1 380.434 -1.187 20 0 GAADMN NS(=O)(=O)NC1CCN(C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001606443571 1076371823 /nfs/dbraw/zinc/37/18/23/1076371823.db2.gz DFUYSUGGDJAYOX-GFCCVEGCSA-N 0 1 397.461 -1.136 20 0 GAADMN NS(=O)(=O)NC1CCN(C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001606443574 1076371842 /nfs/dbraw/zinc/37/18/42/1076371842.db2.gz DFUYSUGGDJAYOX-LBPRGKRZSA-N 0 1 397.461 -1.136 20 0 GAADMN O=C(C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001606460050 1076372511 /nfs/dbraw/zinc/37/25/11/1076372511.db2.gz HVFIQCHEPKDJMU-BETUJISGSA-N 0 1 397.443 -1.412 20 0 GAADMN O=C(C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001606460050 1076372509 /nfs/dbraw/zinc/37/25/09/1076372509.db2.gz HVFIQCHEPKDJMU-BETUJISGSA-N 0 1 397.443 -1.412 20 0 GAADMN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001606460113 1076372470 /nfs/dbraw/zinc/37/24/70/1076372470.db2.gz JRJJQAJPRCBOEO-LSDHHAIUSA-N 0 1 383.412 -1.014 20 0 GAADMN O=C(C1CC1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001606467273 1076372838 /nfs/dbraw/zinc/37/28/38/1076372838.db2.gz NQRQRLPRNZTEKM-WDEREUQCSA-N 0 1 390.429 -1.119 20 0 GAADMN O=C([C@H]1COCCO1)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606476129 1076373231 /nfs/dbraw/zinc/37/32/31/1076373231.db2.gz HUTNXUVBDMVCLY-LLVKDONJSA-N 0 1 390.404 -1.741 20 0 GAADMN O=C([C@@H]1COCCO1)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606476130 1076373335 /nfs/dbraw/zinc/37/33/35/1076373335.db2.gz HUTNXUVBDMVCLY-NSHDSACASA-N 0 1 390.404 -1.741 20 0 GAADMN O=C([C@H]1COCCO1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001606477185 1076373326 /nfs/dbraw/zinc/37/33/26/1076373326.db2.gz ZIGNVBUEPRSOCM-BDJLRTHQSA-N 0 1 390.404 -1.741 20 0 GAADMN O=C([C@H]1COCCO1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001606477186 1076373297 /nfs/dbraw/zinc/37/32/97/1076373297.db2.gz ZIGNVBUEPRSOCM-BZNIZROVSA-N 0 1 390.404 -1.741 20 0 GAADMN O=C([C@@H]1COCCO1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001606477187 1076373330 /nfs/dbraw/zinc/37/33/30/1076373330.db2.gz ZIGNVBUEPRSOCM-MEDUHNTESA-N 0 1 390.404 -1.741 20 0 GAADMN O=C([C@@H]1COCCO1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001606477188 1076373347 /nfs/dbraw/zinc/37/33/47/1076373347.db2.gz ZIGNVBUEPRSOCM-ZBEGNZNMSA-N 0 1 390.404 -1.741 20 0 GAADMN O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001606497012 1076373596 /nfs/dbraw/zinc/37/35/96/1076373596.db2.gz QXTMHODDAVKLTI-GHMZBOCLSA-N 0 1 387.404 -1.353 20 0 GAADMN O=C(C[C@H]1CCC(=O)N1)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001606497015 1076373761 /nfs/dbraw/zinc/37/37/61/1076373761.db2.gz QXTMHODDAVKLTI-MNOVXSKESA-N 0 1 387.404 -1.353 20 0 GAADMN O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001606497017 1076373654 /nfs/dbraw/zinc/37/36/54/1076373654.db2.gz QXTMHODDAVKLTI-QWRGUYRKSA-N 0 1 387.404 -1.353 20 0 GAADMN O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001606497018 1076373802 /nfs/dbraw/zinc/37/38/02/1076373802.db2.gz QXTMHODDAVKLTI-WDEREUQCSA-N 0 1 387.404 -1.353 20 0 GAADMN O=C(C[C@@H]1CCS(=O)(=O)C1)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606506838 1076374031 /nfs/dbraw/zinc/37/40/31/1076374031.db2.gz FOOAWYRDDFSWQN-JTQLQIEISA-N 0 1 392.445 -1.036 20 0 GAADMN O=C(C[C@H]1CCS(=O)(=O)C1)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001606506839 1076374141 /nfs/dbraw/zinc/37/41/41/1076374141.db2.gz FOOAWYRDDFSWQN-SNVBAGLBSA-N 0 1 392.445 -1.036 20 0 GAADMN O=C(C[C@@H]1CCS(=O)(=O)C1)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001606506908 1076374126 /nfs/dbraw/zinc/37/41/26/1076374126.db2.gz IUXMFDXREPXHLB-BVBSBALXSA-N 0 1 392.445 -1.012 20 0 GAADMN O=C(C[C@H]1CCS(=O)(=O)C1)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001606506910 1076374018 /nfs/dbraw/zinc/37/40/18/1076374018.db2.gz IUXMFDXREPXHLB-FMBMQGQPSA-N 0 1 392.445 -1.012 20 0 GAADMN O=C(C[C@@H]1CCS(=O)(=O)C1)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001606506912 1076374157 /nfs/dbraw/zinc/37/41/57/1076374157.db2.gz IUXMFDXREPXHLB-GXFZAYBSSA-N 0 1 392.445 -1.012 20 0 GAADMN O=C(C[C@H]1CCS(=O)(=O)C1)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001606506914 1076374062 /nfs/dbraw/zinc/37/40/62/1076374062.db2.gz IUXMFDXREPXHLB-RFMOXSJOSA-N 0 1 392.445 -1.012 20 0 GAADMN O=C(C[C@H]1COC(=O)C1)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001606507327 1076374007 /nfs/dbraw/zinc/37/40/07/1076374007.db2.gz NOXVTRQVOHSJCQ-GHMZBOCLSA-N 0 1 388.388 -1.069 20 0 GAADMN O=C(C[C@H]1COC(=O)C1)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001606507328 1076374098 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O=C(Cn1ncnn1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001606625499 1076383210 /nfs/dbraw/zinc/38/32/10/1076383210.db2.gz ICZRSOCSAACWNZ-MNOVXSKESA-N 0 1 390.433 -1.334 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001606625500 1076383183 /nfs/dbraw/zinc/38/31/83/1076383183.db2.gz ICZRSOCSAACWNZ-QWRGUYRKSA-N 0 1 390.433 -1.334 20 0 GAADMN O=C(Cn1ncnn1)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001606625501 1076383331 /nfs/dbraw/zinc/38/33/31/1076383331.db2.gz ICZRSOCSAACWNZ-WDEREUQCSA-N 0 1 390.433 -1.334 20 0 GAADMN O=C(Cn1ncnn1)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001606625673 1076383722 /nfs/dbraw/zinc/38/37/22/1076383722.db2.gz OLBVJHWFCSDAOP-UHFFFAOYSA-N 0 1 384.408 -1.004 20 0 GAADMN O=C(Cn1cnnn1)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001606625949 1076383607 /nfs/dbraw/zinc/38/36/07/1076383607.db2.gz UROUDAFXZQFRRQ-UHFFFAOYSA-N 0 1 385.392 -1.552 20 0 GAADMN O=C(Cn1cnnn1)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001606626256 1076384060 /nfs/dbraw/zinc/38/40/60/1076384060.db2.gz XWKWYQKBYMFJGB-MNOVXSKESA-N 0 1 382.392 -1.372 20 0 GAADMN O=C(Cn1ncnn1)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001606626276 1076384035 /nfs/dbraw/zinc/38/40/35/1076384035.db2.gz YCRHLXGTGSSSDR-UHFFFAOYSA-N 0 1 385.392 -1.552 20 0 GAADMN O=C(Cn1cnnn1)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001606626296 1076384007 /nfs/dbraw/zinc/38/40/07/1076384007.db2.gz ZZJGKSVXJJUXGM-UHFFFAOYSA-N 0 1 385.392 -1.552 20 0 GAADMN O=C(N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1)[C@]1(F)CCOC1 ZINC001606628475 1076384031 /nfs/dbraw/zinc/38/40/31/1076384031.db2.gz PZLUPILFAPYSAF-INIZCTEOSA-N 0 1 392.395 -1.027 20 0 GAADMN O=C(N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@]1(F)CCOC1 ZINC001606628476 1076384119 /nfs/dbraw/zinc/38/41/19/1076384119.db2.gz PZLUPILFAPYSAF-MRXNPFEDSA-N 0 1 392.395 -1.027 20 0 GAADMN O=C(NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)C1CS(=O)(=O)C1 ZINC001606639590 1076384167 /nfs/dbraw/zinc/38/41/67/1076384167.db2.gz ASEBMPZEFFFBDO-UHFFFAOYSA-N 0 1 392.445 -1.036 20 0 GAADMN O=C(N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1COCCO1 ZINC001606641383 1076384157 /nfs/dbraw/zinc/38/41/57/1076384157.db2.gz NXUYBBKLSPHBNW-BDJLRTHQSA-N 0 1 390.404 -1.480 20 0 GAADMN O=C(N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1COCCO1 ZINC001606641384 1076384129 /nfs/dbraw/zinc/38/41/29/1076384129.db2.gz NXUYBBKLSPHBNW-BZNIZROVSA-N 0 1 390.404 -1.480 20 0 GAADMN O=C(N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1COCCO1 ZINC001606641385 1076384017 /nfs/dbraw/zinc/38/40/17/1076384017.db2.gz NXUYBBKLSPHBNW-MEDUHNTESA-N 0 1 390.404 -1.480 20 0 GAADMN O=C(N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1COCCO1 ZINC001606641386 1076384494 /nfs/dbraw/zinc/38/44/94/1076384494.db2.gz NXUYBBKLSPHBNW-ZBEGNZNMSA-N 0 1 390.404 -1.480 20 0 GAADMN O=C(NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001606641959 1076384460 /nfs/dbraw/zinc/38/44/60/1076384460.db2.gz XZBUILMMDWPWPI-PJXYFTJBSA-N 0 1 386.416 -1.003 20 0 GAADMN 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O=C(N[C@H]1CCN(CCN2CCCC2=O)C[C@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606673996 1076385349 /nfs/dbraw/zinc/38/53/49/1076385349.db2.gz IVAASUAPFBPXMD-GXTWGEPZSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@H]1CCN(CCN2CCCC2=O)C[C@@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606674011 1076385153 /nfs/dbraw/zinc/38/51/53/1076385153.db2.gz IVAASUAPFBPXMD-JSGCOSHPSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCCC2=O)C[C@@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606674014 1076385288 /nfs/dbraw/zinc/38/52/88/1076385288.db2.gz IVAASUAPFBPXMD-OCCSQVGLSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(N[C@@H]1CCN(CCN2CCCC2=O)C[C@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606674016 1076385246 /nfs/dbraw/zinc/38/52/46/1076385246.db2.gz IVAASUAPFBPXMD-TZMCWYRMSA-N 0 1 388.432 -1.018 20 0 GAADMN O=C(NC1CCN(CCN2C(=O)CNC2=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606674850 1076385183 /nfs/dbraw/zinc/38/51/83/1076385183.db2.gz XBEJZDRXDVLHQD-UHFFFAOYSA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)C12CCC[NH+](CCC1)C2 ZINC001606693703 1076386020 /nfs/dbraw/zinc/38/60/20/1076386020.db2.gz HLUMXJFHUGENJA-GFCCVEGCSA-N 0 1 387.448 -1.156 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)C12CCC[NH+](CCC1)C2 ZINC001606693706 1076386051 /nfs/dbraw/zinc/38/60/51/1076386051.db2.gz HLUMXJFHUGENJA-LBPRGKRZSA-N 0 1 387.448 -1.156 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1c(F)cncc1F ZINC001606693717 1076386069 /nfs/dbraw/zinc/38/60/69/1076386069.db2.gz HTQSOYIEMMHNEZ-SSDOTTSWSA-N 0 1 377.315 -1.045 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1c(F)cncc1F ZINC001606693718 1076385886 /nfs/dbraw/zinc/38/58/86/1076385886.db2.gz HTQSOYIEMMHNEZ-ZETCQYMHSA-N 0 1 377.315 -1.045 20 0 GAADMN O=C(NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ncc(F)cc1F ZINC001606694421 1076386039 /nfs/dbraw/zinc/38/60/39/1076386039.db2.gz CIUSMMGAPWEMNM-MRVPVSSYSA-N 0 1 377.315 -1.045 20 0 GAADMN O=C(NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ncc(F)cc1F ZINC001606694426 1076385853 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TZMZSFMCAOVFEO-IJLUTSLNSA-N 0 1 396.415 -1.219 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)[C@H]1CCn2ccnc2C1 ZINC001606875296 1076393372 /nfs/dbraw/zinc/39/33/72/1076393372.db2.gz TZMZSFMCAOVFEO-QJPTWQEYSA-N 0 1 396.415 -1.219 20 0 GAADMN O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001606875329 1076393353 /nfs/dbraw/zinc/39/33/53/1076393353.db2.gz WIYMFCFFMJAMEL-OLZOCXBDSA-N 0 1 385.432 -1.049 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)[C@H]1CCc2nccn2C1 ZINC001606875340 1076393458 /nfs/dbraw/zinc/39/34/58/1076393458.db2.gz WUXLFXPLYBOPHB-TUAOUCFPSA-N 0 1 396.415 -1.219 20 0 GAADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)[C@@H]1CCc2nccn2C1 ZINC001606875341 1076393333 /nfs/dbraw/zinc/39/33/33/1076393333.db2.gz WUXLFXPLYBOPHB-UTUOFQBUSA-N 0 1 396.415 -1.219 20 0 GAADMN O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001606875389 1076393779 /nfs/dbraw/zinc/39/37/79/1076393779.db2.gz HFSNYNKAXYWTBQ-OLZOCXBDSA-N 0 1 385.432 -1.049 20 0 GAADMN O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001606875389 1076393776 /nfs/dbraw/zinc/39/37/76/1076393776.db2.gz HFSNYNKAXYWTBQ-OLZOCXBDSA-N 0 1 385.432 -1.049 20 0 GAADMN O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001606875458 1076393723 /nfs/dbraw/zinc/39/37/23/1076393723.db2.gz LTECHXRNLCMOMT-IACUBPJLSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001606875458 1076393720 /nfs/dbraw/zinc/39/37/20/1076393720.db2.gz LTECHXRNLCMOMT-IACUBPJLSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001606875459 1076393790 /nfs/dbraw/zinc/39/37/90/1076393790.db2.gz LTECHXRNLCMOMT-MRVWCRGKSA-N 0 1 385.432 -1.336 20 0 GAADMN O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001606875459 1076393787 /nfs/dbraw/zinc/39/37/87/1076393787.db2.gz LTECHXRNLCMOMT-MRVWCRGKSA-N 0 1 385.432 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O=C(N[C@H]1CCN(CCCN2C(=O)CNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606880519 1076394475 /nfs/dbraw/zinc/39/44/75/1076394475.db2.gz NOUOWXPTXRYQLS-JTQLQIEISA-N 0 1 387.404 -1.059 20 0 GAADMN O=C(N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CS(=O)(=O)C1 ZINC001606881844 1076394412 /nfs/dbraw/zinc/39/44/12/1076394412.db2.gz DUAQQMSWSMZTTD-XYPYZODXSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCS(=O)(=O)CC1 ZINC001606884234 1076394483 /nfs/dbraw/zinc/39/44/83/1076394483.db2.gz ICSGZPCYTWBHSX-PHIMTYICSA-N 0 1 392.445 -1.038 20 0 GAADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccn2nnnc12 ZINC001606884863 1076394452 /nfs/dbraw/zinc/39/44/52/1076394452.db2.gz UQSICHPZGOAKMV-DTORHVGOSA-N 0 1 378.360 -1.111 20 0 GAADMN O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001606885464 1076394444 /nfs/dbraw/zinc/39/44/44/1076394444.db2.gz SKQHSWOBWFFRNV-DCAQKATOSA-N 0 1 392.445 -1.180 20 0 GAADMN 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CNS(=O)(=O)c1cc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)ccc1F ZINC001609290609 1076417385 /nfs/dbraw/zinc/41/73/85/1076417385.db2.gz CGHJZVONIJPPDW-UHFFFAOYSA-N 0 1 395.380 -1.065 20 0 GAADMN CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001609291057 1076417442 /nfs/dbraw/zinc/41/74/42/1076417442.db2.gz PMXUTLAVIFMQFV-UHFFFAOYSA-N 0 1 388.435 -1.968 20 0 GAADMN CNS(=O)(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)s1 ZINC001609291101 1076417794 /nfs/dbraw/zinc/41/77/94/1076417794.db2.gz RIYXLUYYUXYVGP-UHFFFAOYSA-N 0 1 383.419 -1.256 20 0 GAADMN COC(=O)[C@@H](O)C1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001609293926 1076417915 /nfs/dbraw/zinc/41/79/15/1076417915.db2.gz NWHBXGHVMPUMOH-JTQLQIEISA-N 0 1 379.381 -1.586 20 0 GAADMN COC(=O)[C@H](O)C1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001609293927 1076417902 /nfs/dbraw/zinc/41/79/02/1076417902.db2.gz NWHBXGHVMPUMOH-SNVBAGLBSA-N 0 1 379.381 -1.586 20 0 GAADMN COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001609297688 1076417742 /nfs/dbraw/zinc/41/77/42/1076417742.db2.gz YIDZBQWWBBIHJZ-JTQLQIEISA-N 0 1 381.418 -1.013 20 0 GAADMN COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001609297689 1076418317 /nfs/dbraw/zinc/41/83/17/1076418317.db2.gz YIDZBQWWBBIHJZ-SNVBAGLBSA-N 0 1 381.418 -1.013 20 0 GAADMN COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001609298692 1076418246 /nfs/dbraw/zinc/41/82/46/1076418246.db2.gz XHXVJJUXFNNSLM-MRVPVSSYSA-N 0 1 381.374 -1.686 20 0 GAADMN COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001609298693 1076418285 /nfs/dbraw/zinc/41/82/85/1076418285.db2.gz XHXVJJUXFNNSLM-QMMMGPOBSA-N 0 1 381.374 -1.686 20 0 GAADMN COC(=O)CNC(=O)Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001609299226 1076418312 /nfs/dbraw/zinc/41/83/12/1076418312.db2.gz FKKNMZDCFJJFBP-UHFFFAOYSA-N 0 1 399.371 -1.071 20 0 GAADMN COC(=O)Cc1ccc(NC(=O)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001609299778 1076418329 /nfs/dbraw/zinc/41/83/29/1076418329.db2.gz PQFCSNKHUOYOKH-UHFFFAOYSA-N 0 1 399.371 -1.071 20 0 GAADMN COC(=O)c1cc(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)cnc1C ZINC001609302874 1076418393 /nfs/dbraw/zinc/41/83/93/1076418393.db2.gz NSWWCJFSLMVDLB-UHFFFAOYSA-N 0 1 393.389 -1.073 20 0 GAADMN COC(=O)c1cn(CCNS(=O)(=O)c2cccnc2-c2nn[nH]n2)nn1 ZINC001609305675 1076418293 /nfs/dbraw/zinc/41/82/93/1076418293.db2.gz RHRLWARMIASHTG-UHFFFAOYSA-N 0 1 379.362 -1.382 20 0 GAADMN COC(=O)c1cn([C@@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001609305687 1076418277 /nfs/dbraw/zinc/41/82/77/1076418277.db2.gz RTEJGJLKVOXXHC-SECBINFHSA-N 0 1 387.364 -1.300 20 0 GAADMN COC(=O)c1cn([C@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001609305700 1076418687 /nfs/dbraw/zinc/41/86/87/1076418687.db2.gz RTEJGJLKVOXXHC-VIFPVBQESA-N 0 1 387.364 -1.300 20 0 GAADMN CO[C@H](CS(=O)(=O)NCCn1cnc(-c2nn[nH]n2)n1)C1CCOCC1 ZINC001609310892 1076418654 /nfs/dbraw/zinc/41/86/54/1076418654.db2.gz OAWCKMQUXCSPSA-LLVKDONJSA-N 0 1 386.438 -1.181 20 0 GAADMN CO[C@@H](CS(=O)(=O)NCCn1cnc(-c2nn[nH]n2)n1)C1CCOCC1 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