smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000007322973 1073622146 /nfs/dbraw/zinc/62/21/46/1073622146.db2.gz ZCWQWQMSYORTGW-UHFFFAOYSA-N -1 1 377.426 -0.279 20 0 GBADMM CCC(Nc1ccc(OC)c(S(N)(=O)=O)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009772212 638193929 /nfs/dbraw/zinc/19/39/29/638193929.db2.gz XFSWNABKIAZHCE-UHFFFAOYSA-N -1 1 384.439 -0.051 20 0 GBADMM NC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000012525806 530105121 /nfs/dbraw/zinc/10/51/21/530105121.db2.gz LPGLDXTVHLNTDC-UHFFFAOYSA-N -1 1 385.423 -0.001 20 0 GBADMM COC(=O)c1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC ZINC000015326917 1073009701 /nfs/dbraw/zinc/00/97/01/1073009701.db2.gz POOZTCZFZUOVQY-UHFFFAOYSA-N -1 1 397.409 -0.642 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3=O)cc2)c(=O)n(C)c1=O ZINC000015357829 1072237835 /nfs/dbraw/zinc/23/78/35/1072237835.db2.gz AMMFXVOBHRWXEA-UHFFFAOYSA-N -1 1 392.437 -0.311 20 0 GBADMM O=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[N-]C(=O)c1ccccc1 ZINC000021854549 1072242761 /nfs/dbraw/zinc/24/27/61/1072242761.db2.gz LGWHOKJFCIQJPT-UHFFFAOYSA-N -1 1 389.389 -0.016 20 0 GBADMM CC1(C)NC(=O)N(CCC(=O)OCC(=O)N[N-]C(=O)c2cccs2)C1=O ZINC000022161793 1072362219 /nfs/dbraw/zinc/36/22/19/1072362219.db2.gz RASVLAXXYRDUGT-UHFFFAOYSA-N -1 1 382.398 -0.227 20 0 GBADMM Cn1c2nc(Cl)n(CC(=O)N[N-]C(=O)c3cccs3)c2c(=O)n(C)c1=O ZINC000022425046 1072581380 /nfs/dbraw/zinc/58/13/80/1072581380.db2.gz FDUDAXJAHBJQFE-UHFFFAOYSA-N -1 1 396.816 -0.390 20 0 GBADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C(N)=O)C(N)=O)c2)cc1 ZINC000023388383 1072664478 /nfs/dbraw/zinc/66/44/78/1072664478.db2.gz NINMGMQCRSWMAH-UHFFFAOYSA-N -1 1 390.421 -0.135 20 0 GBADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C(N)=O)C(N)=O)c2)c1 ZINC000023388385 1072664201 /nfs/dbraw/zinc/66/42/01/1072664201.db2.gz XNFRKXBDLJNQMX-UHFFFAOYSA-N -1 1 390.421 -0.135 20 0 GBADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1 ZINC000023388396 1072664644 /nfs/dbraw/zinc/66/46/44/1072664644.db2.gz BYNNEGVWZTYXFX-UHFFFAOYSA-N -1 1 390.421 -0.135 20 0 GBADMM NC(=O)C(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(N)=O ZINC000023388480 1072355608 /nfs/dbraw/zinc/35/56/08/1072355608.db2.gz XLGNVESZLHIQID-UHFFFAOYSA-N -1 1 394.384 -0.305 20 0 GBADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000023389965 530105105 /nfs/dbraw/zinc/10/51/05/530105105.db2.gz DQDRJTOQJYCTAY-UHFFFAOYSA-N -1 1 391.452 -0.218 20 0 GBADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000024431812 530125452 /nfs/dbraw/zinc/12/54/52/530125452.db2.gz CXCVDASFVPKQCC-UHFFFAOYSA-N -1 1 385.423 -0.001 20 0 GBADMM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F ZINC000024461783 1072272810 /nfs/dbraw/zinc/27/28/10/1072272810.db2.gz GTRXDENPFZKPIM-UHFFFAOYSA-N -1 1 398.416 -0.760 20 0 GBADMM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000024484927 1073238257 /nfs/dbraw/zinc/23/82/57/1073238257.db2.gz WSTAVHPMNWTWPP-UHFFFAOYSA-N -1 1 381.410 -0.608 20 0 GBADMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccs1 ZINC000024486141 530141344 /nfs/dbraw/zinc/14/13/44/530141344.db2.gz FSXGXEYLIYAJLJ-SECBINFHSA-N -1 1 387.439 -0.272 20 0 GBADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccs1 ZINC000024486145 530141485 /nfs/dbraw/zinc/14/14/85/530141485.db2.gz FSXGXEYLIYAJLJ-VIFPVBQESA-N -1 1 387.439 -0.272 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)o1 ZINC000024687968 530126826 /nfs/dbraw/zinc/12/68/26/530126826.db2.gz LNZDTYFBVIOJOL-SNVBAGLBSA-N -1 1 379.460 -0.268 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)o1 ZINC000024687971 530127124 /nfs/dbraw/zinc/12/71/24/530127124.db2.gz LNZDTYFBVIOJOL-JTQLQIEISA-N -1 1 379.460 -0.268 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000025006915 1073327732 /nfs/dbraw/zinc/32/77/32/1073327732.db2.gz JZDUJIAOQUIVOA-UHFFFAOYSA-N -1 1 393.381 -0.274 20 0 GBADMM Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN3CC(=O)[N-]C3=O)CC2)cc1 ZINC000025612109 1072612042 /nfs/dbraw/zinc/61/20/42/1072612042.db2.gz UPCQLSCTPCJWAK-UHFFFAOYSA-N -1 1 380.426 -0.021 20 0 GBADMM O=C(NN1CC(=O)[N-]C1=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000025612300 1073333747 /nfs/dbraw/zinc/33/37/47/1073333747.db2.gz XTUVSKIHBCXWNV-UHFFFAOYSA-N -1 1 384.389 -0.191 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)c(=O)n(C)c1=O ZINC000026838631 1073929181 /nfs/dbraw/zinc/92/91/81/1073929181.db2.gz BTIVPNBVCLPQSY-UHFFFAOYSA-N -1 1 376.398 -0.857 20 0 GBADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)NC(=O)CO2 ZINC000026869355 1072539188 /nfs/dbraw/zinc/53/91/88/1072539188.db2.gz ZTXFXILKEQSLFJ-SECBINFHSA-N -1 1 394.409 -0.546 20 0 GBADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)NC(=O)CO2 ZINC000026869362 1072539368 /nfs/dbraw/zinc/53/93/68/1072539368.db2.gz ZTXFXILKEQSLFJ-VIFPVBQESA-N -1 1 394.409 -0.546 20 0 GBADMM NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000028256822 530287769 /nfs/dbraw/zinc/28/77/69/530287769.db2.gz KMFBAFXWMPDGPR-UHFFFAOYSA-N -1 1 385.423 -0.001 20 0 GBADMM COCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000028330746 1073341295 /nfs/dbraw/zinc/34/12/95/1073341295.db2.gz JUENUMHFNGVHFL-UHFFFAOYSA-N -1 1 396.425 -0.853 20 0 GBADMM Cc1ccc(S(=O)(=O)NNC=C2C(=O)[N-]C(=S)NC2=O)cc1[N+](=O)[O-] ZINC000028967236 637391298 /nfs/dbraw/zinc/39/12/98/637391298.db2.gz UVEZMEFNFCDLAI-UHFFFAOYSA-N -1 1 385.383 -0.059 20 0 GBADMM Cc1ccc(S(=O)(=O)NN/C=C2\C(=O)[N-]C(=S)NC2=O)cc1[N+](=O)[O-] ZINC000028967236 637391294 /nfs/dbraw/zinc/39/12/94/637391294.db2.gz UVEZMEFNFCDLAI-UHFFFAOYSA-N -1 1 385.383 -0.059 20 0 GBADMM Cc1ccc(S(=O)(=O)NN/C=C2/C(=O)[N-]C(=S)NC2=O)cc1[N+](=O)[O-] ZINC000028967236 637391286 /nfs/dbraw/zinc/39/12/86/637391286.db2.gz UVEZMEFNFCDLAI-UHFFFAOYSA-N -1 1 385.383 -0.059 20 0 GBADMM O=C1[N-]C(=S)NC(=O)C1=CNc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000028968808 1073169555 /nfs/dbraw/zinc/16/95/55/1073169555.db2.gz SLEBECJAXVATOL-UHFFFAOYSA-N -1 1 393.450 -0.016 20 0 GBADMM CN(C)S(=O)(=O)c1cccc(C(=O)NNC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000029008858 1073176768 /nfs/dbraw/zinc/17/67/68/1073176768.db2.gz OPAACUDSXAFIRL-UHFFFAOYSA-N -1 1 397.438 -0.574 20 0 GBADMM CN(C)S(=O)(=O)c1cccc(C(=O)NN/C=C2\C(=O)[N-]C(=S)NC2=O)c1 ZINC000029008858 1073176764 /nfs/dbraw/zinc/17/67/64/1073176764.db2.gz OPAACUDSXAFIRL-UHFFFAOYSA-N -1 1 397.438 -0.574 20 0 GBADMM CN(C)S(=O)(=O)c1cccc(C(=O)NN/C=C2/C(=O)[N-]C(=S)NC2=O)c1 ZINC000029008858 1073176758 /nfs/dbraw/zinc/17/67/58/1073176758.db2.gz OPAACUDSXAFIRL-UHFFFAOYSA-N -1 1 397.438 -0.574 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NN3CC(=O)[N-]C3=O)c2)C[C@H](C)O1 ZINC000029018700 1073313476 /nfs/dbraw/zinc/31/34/76/1073313476.db2.gz WDEABAKYPZVPNJ-PHIMTYICSA-N -1 1 396.425 -0.319 20 0 GBADMM C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NN3CC(=O)[N-]C3=O)c2)C[C@H](C)O1 ZINC000029018706 1073313062 /nfs/dbraw/zinc/31/30/62/1073313062.db2.gz WDEABAKYPZVPNJ-QWRGUYRKSA-N -1 1 396.425 -0.319 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3)c2)c(=O)n(C)c1=O ZINC000029394946 1072292054 /nfs/dbraw/zinc/29/20/54/1072292054.db2.gz JGKGDPLPOHAJAV-UHFFFAOYSA-N -1 1 379.442 -0.442 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2cccc(Cn3ccnc3)c2)c(=O)n(C)c1=O ZINC000030339253 1073477846 /nfs/dbraw/zinc/47/78/46/1073477846.db2.gz HQWQSIJICFNTCH-UHFFFAOYSA-N -1 1 389.437 -0.193 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)c(=O)n(C)c1=O ZINC000030361607 1072656933 /nfs/dbraw/zinc/65/69/33/1072656933.db2.gz IOBDNBDIBSMUDT-UHFFFAOYSA-N -1 1 376.398 -0.857 20 0 GBADMM CCOC(=O)N[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC(C)C ZINC000030366654 1072297250 /nfs/dbraw/zinc/29/72/50/1072297250.db2.gz NRPSCOFKJYPEPW-LLVKDONJSA-N -1 1 390.462 -0.477 20 0 GBADMM CCOC(=O)N[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC(C)C ZINC000030366657 1072297537 /nfs/dbraw/zinc/29/75/37/1072297537.db2.gz NRPSCOFKJYPEPW-NSHDSACASA-N -1 1 390.462 -0.477 20 0 GBADMM COc1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1[N-]S(C)(=O)=O ZINC000030602321 1072160577 /nfs/dbraw/zinc/16/05/77/1072160577.db2.gz ZWRNJECHLGDKTP-UHFFFAOYSA-N -1 1 382.398 -0.434 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1 ZINC000031482541 530299321 /nfs/dbraw/zinc/29/93/21/530299321.db2.gz FFPWDEHAQSLPKA-UHFFFAOYSA-N -1 1 387.439 -0.192 20 0 GBADMM CCS(=O)(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1 ZINC000031605460 530106881 /nfs/dbraw/zinc/10/68/81/530106881.db2.gz BICHUTODUKNUBN-UHFFFAOYSA-N -1 1 379.460 -0.268 20 0 GBADMM CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cn1C ZINC000031666521 957168366 /nfs/dbraw/zinc/16/83/66/957168366.db2.gz WNSSTFXCTGDARL-UHFFFAOYSA-N -1 1 394.409 0.000 20 0 GBADMM CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N[N-]C(=O)c2cccs2)c1 ZINC000031710730 637508540 /nfs/dbraw/zinc/50/85/40/637508540.db2.gz QETMREZKHOKRJH-UHFFFAOYSA-N -1 1 384.439 -0.379 20 0 GBADMM O=C(CC[N-]S(=O)(=O)c1cc(F)ccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000032438365 530252878 /nfs/dbraw/zinc/25/28/78/530252878.db2.gz AQNYENMWILYYSO-SNVBAGLBSA-N -1 1 382.410 -0.064 20 0 GBADMM O=C(CC[N-]S(=O)(=O)c1cc(F)ccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000032438366 530252850 /nfs/dbraw/zinc/25/28/50/530252850.db2.gz AQNYENMWILYYSO-JTQLQIEISA-N -1 1 382.410 -0.064 20 0 GBADMM O=C(CN1C(=O)COc2cc(Br)ccc21)NN1CC(=O)[N-]C1=O ZINC000032625794 637530002 /nfs/dbraw/zinc/53/00/02/637530002.db2.gz MIUZLDUJVWMIJI-UHFFFAOYSA-N -1 1 383.158 -0.243 20 0 GBADMM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nnc2ccccn21 ZINC000040562794 1073659801 /nfs/dbraw/zinc/65/98/01/1073659801.db2.gz VURQKTMNRVSTHV-ZDUSSCGKSA-N -1 1 392.441 -0.198 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2cccnc2-n2cccn2)c(=O)n(C)c1=O ZINC000041627021 1073343152 /nfs/dbraw/zinc/34/31/52/1073343152.db2.gz ARBHNQQZRFHVAQ-UHFFFAOYSA-N -1 1 376.398 -0.857 20 0 GBADMM CN(CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OC(C)(C)C ZINC000042114897 1072276677 /nfs/dbraw/zinc/27/66/77/1072276677.db2.gz DTDVUFXOLZBRIB-UHFFFAOYSA-N -1 1 390.462 -0.381 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)o1 ZINC000042264241 637434736 /nfs/dbraw/zinc/43/47/36/637434736.db2.gz HHNGDTFKHFUWHQ-UHFFFAOYSA-N -1 1 387.292 -0.267 20 0 GBADMM NC(=O)C(NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(N)=O ZINC000042789027 1073267533 /nfs/dbraw/zinc/26/75/33/1073267533.db2.gz FOEWVLCEHQVOTE-UHFFFAOYSA-N -1 1 394.384 -0.305 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)c(=O)n(C)c1=O ZINC000044790493 530072982 /nfs/dbraw/zinc/07/29/82/530072982.db2.gz PXEJVXSLPGMNMR-UHFFFAOYSA-N -1 1 383.817 -0.136 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)c(=O)n(C)c1=O ZINC000045812208 1073439595 /nfs/dbraw/zinc/43/95/95/1073439595.db2.gz MOCCRZZORVCREK-UHFFFAOYSA-N -1 1 375.410 -0.252 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]CCNc2ncnc3sccc32)c(=O)n(C)c1=O ZINC000045813933 1073440742 /nfs/dbraw/zinc/44/07/42/1073440742.db2.gz JPGFIVFORDLCQZ-UHFFFAOYSA-N -1 1 396.454 -0.521 20 0 GBADMM 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530366446 /nfs/dbraw/zinc/36/64/46/530366446.db2.gz YZWPTGDJAISKLS-UHFFFAOYSA-N -1 1 386.446 -0.088 20 0 GBADMM COC(=O)c1cnccc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCOC1 ZINC000349510703 530086072 /nfs/dbraw/zinc/08/60/72/530086072.db2.gz POTPIQQGTBUDIG-UHFFFAOYSA-N -1 1 393.443 -0.959 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C[C@H](C)N1C ZINC000349511179 530336586 /nfs/dbraw/zinc/33/65/86/530336586.db2.gz QEVYBIZYEKXHTG-PHIMTYICSA-N -1 1 377.479 -0.085 20 0 GBADMM C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F ZINC000349511953 530366717 /nfs/dbraw/zinc/36/67/17/530366717.db2.gz UOCUJCKXDQMAIN-SECBINFHSA-N -1 1 377.435 -0.947 20 0 GBADMM C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F ZINC000349511954 530366634 /nfs/dbraw/zinc/36/66/34/530366634.db2.gz UOCUJCKXDQMAIN-VIFPVBQESA-N -1 1 377.435 -0.947 20 0 GBADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](CO)[C@H](O)C2)n1 ZINC000349512397 530366486 /nfs/dbraw/zinc/36/64/86/530366486.db2.gz RRKUPYYKELPERN-CHWSQXEVSA-N -1 1 393.487 -0.863 20 0 GBADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)n1 ZINC000349512398 530366679 /nfs/dbraw/zinc/36/66/79/530366679.db2.gz RRKUPYYKELPERN-OLZOCXBDSA-N -1 1 393.487 -0.863 20 0 GBADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)n1 ZINC000349512399 530366674 /nfs/dbraw/zinc/36/66/74/530366674.db2.gz RRKUPYYKELPERN-QWHCGFSZSA-N -1 1 393.487 -0.863 20 0 GBADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@H](CO)C2)n1 ZINC000349512400 530366699 /nfs/dbraw/zinc/36/66/99/530366699.db2.gz RRKUPYYKELPERN-STQMWFEESA-N -1 1 393.487 -0.863 20 0 GBADMM C[C@@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncnn2C)CC1 ZINC000349512602 530086149 /nfs/dbraw/zinc/08/61/49/530086149.db2.gz VXSYARGBVMDYOM-GFCCVEGCSA-N -1 1 379.508 -0.179 20 0 GBADMM C[C@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncnn2C)CC1 ZINC000349512604 530086168 /nfs/dbraw/zinc/08/61/68/530086168.db2.gz VXSYARGBVMDYOM-LBPRGKRZSA-N -1 1 379.508 -0.179 20 0 GBADMM O=S(=O)(CCCS(=O)(=O)N1CC(CO)C1)[N-]c1cc2c(cn1)CCC2 ZINC000349513025 530336609 /nfs/dbraw/zinc/33/66/09/530336609.db2.gz TVJXDJHVBJDIRV-UHFFFAOYSA-N -1 1 389.499 -0.044 20 0 GBADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2C(N)=O)nc1 ZINC000349513077 530086320 /nfs/dbraw/zinc/08/63/20/530086320.db2.gz WOBMASZJVRNNRR-GFCCVEGCSA-N -1 1 390.487 -0.199 20 0 GBADMM C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F ZINC000349513232 530366707 /nfs/dbraw/zinc/36/67/07/530366707.db2.gz WYROEKUGZTZMNJ-SECBINFHSA-N -1 1 377.435 -0.899 20 0 GBADMM C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F ZINC000349513234 530366521 /nfs/dbraw/zinc/36/65/21/530366521.db2.gz WYROEKUGZTZMNJ-VIFPVBQESA-N -1 1 377.435 -0.899 20 0 GBADMM NC(=O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000349513971 530337189 /nfs/dbraw/zinc/33/71/89/530337189.db2.gz YOWIDRJSTSPXJM-LLVKDONJSA-N -1 1 394.450 -0.368 20 0 GBADMM CN(CC(N)=O)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC000349514035 530366640 /nfs/dbraw/zinc/36/66/40/530366640.db2.gz CVIUFBGVKLXNFI-UHFFFAOYSA-N -1 1 390.487 -0.551 20 0 GBADMM CN(CC(N)=O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349514824 530337139 /nfs/dbraw/zinc/33/71/39/530337139.db2.gz FQULOIWJEGMJTD-UHFFFAOYSA-N -1 1 384.867 -0.386 20 0 GBADMM CN(C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349515196 530337129 /nfs/dbraw/zinc/33/71/29/530337129.db2.gz BEZRQGNWGJYGPW-CYBMUJFWSA-N -1 1 391.519 -0.036 20 0 GBADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349515197 530337238 /nfs/dbraw/zinc/33/72/38/530337238.db2.gz BEZRQGNWGJYGPW-ZDUSSCGKSA-N -1 1 391.519 -0.036 20 0 GBADMM CN(C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349516440 530086944 /nfs/dbraw/zinc/08/69/44/530086944.db2.gz DATONCBXWDMVII-GFCCVEGCSA-N -1 1 394.523 -0.697 20 0 GBADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349516441 530087053 /nfs/dbraw/zinc/08/70/53/530087053.db2.gz DATONCBXWDMVII-LBPRGKRZSA-N -1 1 394.523 -0.697 20 0 GBADMM CC1(C)C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349516976 530087036 /nfs/dbraw/zinc/08/70/36/530087036.db2.gz DTFQQHWEZLYRED-UHFFFAOYSA-N -1 1 390.487 -0.246 20 0 GBADMM CNC(=O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349517098 530366359 /nfs/dbraw/zinc/36/63/59/530366359.db2.gz DZLRDJMJLQVSFH-GFCCVEGCSA-N -1 1 390.487 -0.246 20 0 GBADMM CN(C)c1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n1 ZINC000349517262 530086879 /nfs/dbraw/zinc/08/68/79/530086879.db2.gz ZPXLFEHGGTZFJB-UHFFFAOYSA-N -1 1 378.476 -0.101 20 0 GBADMM CC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349517699 530337495 /nfs/dbraw/zinc/33/74/95/530337495.db2.gz GGLQMFUXYBRDQJ-CYBMUJFWSA-N -1 1 390.487 -0.246 20 0 GBADMM CC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349517700 530337606 /nfs/dbraw/zinc/33/76/06/530337606.db2.gz GGLQMFUXYBRDQJ-ZDUSSCGKSA-N -1 1 390.487 -0.246 20 0 GBADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)[C@H]2C)c1 ZINC000349517713 530337411 /nfs/dbraw/zinc/33/74/11/530337411.db2.gz GIDWTXZPCODNNA-GFCCVEGCSA-N -1 1 390.487 -0.328 20 0 GBADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)[C@@H]2C)c1 ZINC000349517714 530337480 /nfs/dbraw/zinc/33/74/80/530337480.db2.gz GIDWTXZPCODNNA-LBPRGKRZSA-N -1 1 390.487 -0.328 20 0 GBADMM COc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)c1 ZINC000349517994 530366991 /nfs/dbraw/zinc/36/69/91/530366991.db2.gz GOFNUARWZWGLNZ-GFCCVEGCSA-N -1 1 393.487 -0.134 20 0 GBADMM COc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)c1 ZINC000349517995 530367099 /nfs/dbraw/zinc/36/70/99/530367099.db2.gz GOFNUARWZWGLNZ-LBPRGKRZSA-N -1 1 393.487 -0.134 20 0 GBADMM CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)n1 ZINC000349518229 530337441 /nfs/dbraw/zinc/33/74/41/530337441.db2.gz NEJYEEXJWANWCT-SECBINFHSA-N -1 1 399.520 -0.555 20 0 GBADMM CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)n1 ZINC000349518231 530086911 /nfs/dbraw/zinc/08/69/11/530086911.db2.gz NEJYEEXJWANWCT-VIFPVBQESA-N -1 1 399.520 -0.555 20 0 GBADMM CC(C)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncnn1C ZINC000349518720 530087039 /nfs/dbraw/zinc/08/70/39/530087039.db2.gz OOMFZVGAGLSGFX-GFCCVEGCSA-N -1 1 379.508 -0.181 20 0 GBADMM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(N)=O)c1 ZINC000349519238 530087470 /nfs/dbraw/zinc/08/74/70/530087470.db2.gz OXAQLPMTKXRLPX-UHFFFAOYSA-N -1 1 378.476 -0.423 20 0 GBADMM CC1(C)C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F ZINC000349519546 530087397 /nfs/dbraw/zinc/08/73/97/530087397.db2.gz IOLZFLYBPAWZLX-UHFFFAOYSA-N -1 1 377.435 -0.899 20 0 GBADMM CN(C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349519610 530337467 /nfs/dbraw/zinc/33/74/67/530337467.db2.gz IUBCSDPGTUHMRA-LLVKDONJSA-N -1 1 380.496 -0.708 20 0 GBADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349519613 530337509 /nfs/dbraw/zinc/33/75/09/530337509.db2.gz IUBCSDPGTUHMRA-NSHDSACASA-N -1 1 380.496 -0.708 20 0 GBADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)[C@H]2C)c1C ZINC000349520618 530337581 /nfs/dbraw/zinc/33/75/81/530337581.db2.gz KCXWZRSULYZCLL-LLVKDONJSA-N -1 1 393.491 -0.692 20 0 GBADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)[C@@H]2C)c1C ZINC000349520619 530337392 /nfs/dbraw/zinc/33/73/92/530337392.db2.gz KCXWZRSULYZCLL-NSHDSACASA-N -1 1 393.491 -0.692 20 0 GBADMM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(F)cn2)C[C@H]1O ZINC000349521351 530366996 /nfs/dbraw/zinc/36/69/96/530366996.db2.gz JWYPKSNCRQUZDR-CMPLNLGQSA-N -1 1 381.451 -0.005 20 0 GBADMM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(F)cn2)C[C@@H]1O ZINC000349521353 530366900 /nfs/dbraw/zinc/36/69/00/530366900.db2.gz JWYPKSNCRQUZDR-JQWIXIFHSA-N -1 1 381.451 -0.005 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(F)cn2)C[C@@H]1O ZINC000349521355 530366780 /nfs/dbraw/zinc/36/67/80/530366780.db2.gz JWYPKSNCRQUZDR-PWSUYJOCSA-N -1 1 381.451 -0.005 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(F)cn2)C[C@H]1O ZINC000349521356 530366847 /nfs/dbraw/zinc/36/68/47/530366847.db2.gz JWYPKSNCRQUZDR-ZYHUDNBSSA-N -1 1 381.451 -0.005 20 0 GBADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)[C@H]2C)n1 ZINC000349521918 530087539 /nfs/dbraw/zinc/08/75/39/530087539.db2.gz MGRSTFVEJLENRP-GFCCVEGCSA-N -1 1 390.487 -0.328 20 0 GBADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)[C@@H]2C)n1 ZINC000349521922 530087267 /nfs/dbraw/zinc/08/72/67/530087267.db2.gz MGRSTFVEJLENRP-LBPRGKRZSA-N -1 1 390.487 -0.328 20 0 GBADMM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](O)C1)[N-]c1nnc2ccccn21 ZINC000349522335 530337492 /nfs/dbraw/zinc/33/74/92/530337492.db2.gz MXCJRWNCNCUELN-LLVKDONJSA-N -1 1 389.459 -0.743 20 0 GBADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)c1C ZINC000349522813 530087676 /nfs/dbraw/zinc/08/76/76/530087676.db2.gz WKJSVYFDBJLLSB-GFCCVEGCSA-N -1 1 380.492 -0.055 20 0 GBADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)c1C ZINC000349522814 530337418 /nfs/dbraw/zinc/33/74/18/530337418.db2.gz WKJSVYFDBJLLSB-LBPRGKRZSA-N -1 1 380.492 -0.055 20 0 GBADMM 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NC(=O)c1nccnc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000436705271 1072758767 /nfs/dbraw/zinc/75/87/67/1072758767.db2.gz RLLMOAGOWJWRJG-UHFFFAOYSA-N -1 1 377.382 -0.026 20 0 GBADMM NC(=O)C(NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C(N)=O ZINC000436758997 1072760650 /nfs/dbraw/zinc/76/06/50/1072760650.db2.gz QAKGJMCOWDQZAB-UHFFFAOYSA-N -1 1 392.318 -0.008 20 0 GBADMM COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436792484 1072763530 /nfs/dbraw/zinc/76/35/30/1072763530.db2.gz WNEBGZSEULLRPI-ZDUSSCGKSA-N -1 1 396.425 -0.120 20 0 GBADMM O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000436896567 1072766916 /nfs/dbraw/zinc/76/69/16/1072766916.db2.gz NJOUJKKNONGNOD-UHFFFAOYSA-N -1 1 397.453 -0.268 20 0 GBADMM CN(CCNC(=O)c1cc(=O)n2[n-]cnc2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000437517592 1072821903 /nfs/dbraw/zinc/82/19/03/1072821903.db2.gz UKGMUIFQODQICG-UHFFFAOYSA-N -1 1 394.388 -0.393 20 0 GBADMM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000437920930 1072859650 /nfs/dbraw/zinc/85/96/50/1072859650.db2.gz IDIRAPPPSCZFIM-ZJUUUORDSA-N -1 1 387.414 -0.495 20 0 GBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2(CO)Cc3ccccc3C2)o1 ZINC000437944927 1072860080 /nfs/dbraw/zinc/86/00/80/1072860080.db2.gz AEDLJXKIVXNDRL-UHFFFAOYSA-N -1 1 393.421 -0.697 20 0 GBADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@@H](O)Cc1ccccc1 ZINC000438227976 1072873748 /nfs/dbraw/zinc/87/37/48/1072873748.db2.gz CVOKHNUJTQYSMY-AAEUAGOBSA-N -1 1 395.437 -0.235 20 0 GBADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@H](O)Cc1ccccc1 ZINC000438227979 1072873491 /nfs/dbraw/zinc/87/34/91/1072873491.db2.gz CVOKHNUJTQYSMY-DGCLKSJQSA-N -1 1 395.437 -0.235 20 0 GBADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@H](O)Cc1ccccc1 ZINC000438227980 1072873811 /nfs/dbraw/zinc/87/38/11/1072873811.db2.gz CVOKHNUJTQYSMY-WCQYABFASA-N -1 1 395.437 -0.235 20 0 GBADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@@H](O)Cc1ccccc1 ZINC000438227982 1072873547 /nfs/dbraw/zinc/87/35/47/1072873547.db2.gz CVOKHNUJTQYSMY-YPMHNXCESA-N -1 1 395.437 -0.235 20 0 GBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2ncccc2F)o1 ZINC000438239122 1072872663 /nfs/dbraw/zinc/87/26/63/1072872663.db2.gz XRJMYINVSATIMY-UHFFFAOYSA-N -1 1 386.361 -0.614 20 0 GBADMM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000438369566 1072882562 /nfs/dbraw/zinc/88/25/62/1072882562.db2.gz YUZUKDLPNMIOTR-JTQLQIEISA-N -1 1 386.430 -0.970 20 0 GBADMM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000438369567 1072883035 /nfs/dbraw/zinc/88/30/35/1072883035.db2.gz YUZUKDLPNMIOTR-SNVBAGLBSA-N -1 1 386.430 -0.970 20 0 GBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)Cc2ccccc2)o1 ZINC000438560491 1072895896 /nfs/dbraw/zinc/89/58/96/1072895896.db2.gz GTXDXLIRUYAJCJ-LBPRGKRZSA-N -1 1 381.410 -0.623 20 0 GBADMM COc1cnccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000438598775 1072897405 /nfs/dbraw/zinc/89/74/05/1072897405.db2.gz AYFVLQQLTFEZBI-SECBINFHSA-N -1 1 382.398 -0.062 20 0 GBADMM COc1cnccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000438598777 1072897378 /nfs/dbraw/zinc/89/73/78/1072897378.db2.gz AYFVLQQLTFEZBI-VIFPVBQESA-N -1 1 382.398 -0.062 20 0 GBADMM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000438631834 1072899482 /nfs/dbraw/zinc/89/94/82/1072899482.db2.gz JWFMNHAXFAQOJN-HNNXBMFYSA-N -1 1 386.430 -0.826 20 0 GBADMM CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000438631835 1072899518 /nfs/dbraw/zinc/89/95/18/1072899518.db2.gz JWFMNHAXFAQOJN-OAHLLOKOSA-N -1 1 386.430 -0.826 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1CN(S(=O)(=O)CC)C1 ZINC000438905185 530384302 /nfs/dbraw/zinc/38/43/02/530384302.db2.gz WKJNNJDAIRTGGR-UHFFFAOYSA-N -1 1 380.448 -0.854 20 0 GBADMM CNS(=O)(=O)CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000439084050 530384618 /nfs/dbraw/zinc/38/46/18/530384618.db2.gz ICXVPZLKOSEQKA-UHFFFAOYSA-N -1 1 389.452 -0.975 20 0 GBADMM CCS(=O)(=O)NCc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000439157274 530385126 /nfs/dbraw/zinc/38/51/26/530385126.db2.gz XKHRQKAPYISBKR-UHFFFAOYSA-N -1 1 387.443 -0.100 20 0 GBADMM CCS(=O)(=O)NCc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000439157274 530385125 /nfs/dbraw/zinc/38/51/25/530385125.db2.gz XKHRQKAPYISBKR-UHFFFAOYSA-N -1 1 387.443 -0.100 20 0 GBADMM COc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000439194458 1072935267 /nfs/dbraw/zinc/93/52/67/1072935267.db2.gz WPLNRXYPIPFBRS-SECBINFHSA-N -1 1 384.414 -0.648 20 0 GBADMM COc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000439194459 1072934994 /nfs/dbraw/zinc/93/49/94/1072934994.db2.gz WPLNRXYPIPFBRS-VIFPVBQESA-N -1 1 384.414 -0.648 20 0 GBADMM Cn1cc(S(=O)(=O)[N-][C@H](Cc2nc[nH]n2)c2ccccc2)c(=O)n(C)c1=O ZINC000439207053 1072935113 /nfs/dbraw/zinc/93/51/13/1072935113.db2.gz SGLPFALPIPSSTC-GFCCVEGCSA-N -1 1 390.425 -0.536 20 0 GBADMM Cn1cc(S(=O)(=O)[N-][C@@H](Cc2nc[nH]n2)c2ccccc2)c(=O)n(C)c1=O ZINC000439207055 1072935251 /nfs/dbraw/zinc/93/52/51/1072935251.db2.gz SGLPFALPIPSSTC-LBPRGKRZSA-N -1 1 390.425 -0.536 20 0 GBADMM CNC(=O)NC(=O)CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439267781 530384950 /nfs/dbraw/zinc/38/49/50/530384950.db2.gz BWOVXRQMZXSUJG-UHFFFAOYSA-N -1 1 389.400 -0.717 20 0 GBADMM NC(=O)NC(=O)CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439270748 530257580 /nfs/dbraw/zinc/25/75/80/530257580.db2.gz HYKMMFZJSOTJJF-UHFFFAOYSA-N -1 1 375.373 -0.978 20 0 GBADMM CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1nn[n-]n1 ZINC000439281809 530385121 /nfs/dbraw/zinc/38/51/21/530385121.db2.gz YXFCOQKAHUDMPD-UHFFFAOYSA-N -1 1 382.431 -0.053 20 0 GBADMM CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1nnn[n-]1 ZINC000439281809 530385119 /nfs/dbraw/zinc/38/51/19/530385119.db2.gz YXFCOQKAHUDMPD-UHFFFAOYSA-N -1 1 382.431 -0.053 20 0 GBADMM CNS(=O)(=O)CCCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439281953 530384905 /nfs/dbraw/zinc/38/49/05/530384905.db2.gz XEMWOKYDMGJREE-UHFFFAOYSA-N -1 1 396.457 -0.624 20 0 GBADMM CCOC(=O)[C@](C)(O)CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439283108 530384969 /nfs/dbraw/zinc/38/49/69/530384969.db2.gz DUEOENPVLHFTPK-GFCCVEGCSA-N -1 1 391.412 -0.249 20 0 GBADMM CCOC(=O)[C@@](C)(O)CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439283125 530384911 /nfs/dbraw/zinc/38/49/11/530384911.db2.gz DUEOENPVLHFTPK-LBPRGKRZSA-N -1 1 391.412 -0.249 20 0 GBADMM NS(=O)(=O)CCCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439288666 530385131 /nfs/dbraw/zinc/38/51/31/530385131.db2.gz XMXMYVPSAGGHFB-UHFFFAOYSA-N -1 1 382.430 -0.884 20 0 GBADMM CNS(=O)(=O)CCNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000439346422 530385441 /nfs/dbraw/zinc/38/54/41/530385441.db2.gz ZBEISWMUNAVSFX-UHFFFAOYSA-N -1 1 380.448 -0.263 20 0 GBADMM COCCN(CCO)C(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000439351847 1072945341 /nfs/dbraw/zinc/94/53/41/1072945341.db2.gz OKHPBYOHCULSSU-UHFFFAOYSA-N -1 1 389.430 -0.528 20 0 GBADMM COCCN(CCO)C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000439354160 1072946244 /nfs/dbraw/zinc/94/62/44/1072946244.db2.gz QPCNXPOVRDKDDX-UHFFFAOYSA-N -1 1 389.430 -0.528 20 0 GBADMM COc1cc(NC(=O)C(=O)N2CCNC(=O)CC2)ccc1[N-]S(C)(=O)=O ZINC000439588147 1072959161 /nfs/dbraw/zinc/95/91/61/1072959161.db2.gz QUSRTBAVJZICQR-UHFFFAOYSA-N -1 1 384.414 -0.646 20 0 GBADMM COc1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1[N-]S(C)(=O)=O ZINC000439592166 1072959176 /nfs/dbraw/zinc/95/91/76/1072959176.db2.gz GOEOQRMEQUQZKP-UHFFFAOYSA-N -1 1 384.414 -0.646 20 0 GBADMM COCCn1ccc(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)n1 ZINC000439754506 530385294 /nfs/dbraw/zinc/38/52/94/530385294.db2.gz FHLNPTVFHWBZHB-UHFFFAOYSA-N -1 1 389.459 -0.292 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]CCc2cc(-c3ccncc3)n[nH]2)c(=O)n(C)c1=O ZINC000440076467 1072986850 /nfs/dbraw/zinc/98/68/50/1072986850.db2.gz IZPHWKXXEWDFKC-UHFFFAOYSA-N -1 1 390.425 -0.610 20 0 GBADMM COc1cc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)ccc1[N-]S(C)(=O)=O ZINC000440110440 1072989334 /nfs/dbraw/zinc/98/93/34/1072989334.db2.gz RELNFBROTPCLLO-GFCCVEGCSA-N -1 1 386.430 -0.369 20 0 GBADMM COc1cc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)ccc1[N-]S(C)(=O)=O ZINC000440110442 1072989538 /nfs/dbraw/zinc/98/95/38/1072989538.db2.gz RELNFBROTPCLLO-LBPRGKRZSA-N -1 1 386.430 -0.369 20 0 GBADMM COc1ccc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)cc1[N-]S(C)(=O)=O ZINC000440124538 1072990115 /nfs/dbraw/zinc/99/01/15/1072990115.db2.gz VSTOOWSTIZQCKS-GFCCVEGCSA-N -1 1 386.430 -0.369 20 0 GBADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)[n-]1 ZINC000440260827 1072995410 /nfs/dbraw/zinc/99/54/10/1072995410.db2.gz PECIYTXGXPFUCN-GHMZBOCLSA-N -1 1 383.430 -0.412 20 0 GBADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 ZINC000440260827 1072995404 /nfs/dbraw/zinc/99/54/04/1072995404.db2.gz PECIYTXGXPFUCN-GHMZBOCLSA-N -1 1 383.430 -0.412 20 0 GBADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)[n-]1 ZINC000440260828 1072995539 /nfs/dbraw/zinc/99/55/39/1072995539.db2.gz PECIYTXGXPFUCN-MNOVXSKESA-N -1 1 383.430 -0.412 20 0 GBADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000440260828 1072995535 /nfs/dbraw/zinc/99/55/35/1072995535.db2.gz PECIYTXGXPFUCN-MNOVXSKESA-N -1 1 383.430 -0.412 20 0 GBADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)[n-]1 ZINC000440260829 1072995550 /nfs/dbraw/zinc/99/55/50/1072995550.db2.gz PECIYTXGXPFUCN-QWRGUYRKSA-N -1 1 383.430 -0.412 20 0 GBADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000440260829 1072995545 /nfs/dbraw/zinc/99/55/45/1072995545.db2.gz PECIYTXGXPFUCN-QWRGUYRKSA-N -1 1 383.430 -0.412 20 0 GBADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)[n-]1 ZINC000440260830 1072995356 /nfs/dbraw/zinc/99/53/56/1072995356.db2.gz PECIYTXGXPFUCN-WDEREUQCSA-N -1 1 383.430 -0.412 20 0 GBADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 ZINC000440260830 1072995350 /nfs/dbraw/zinc/99/53/50/1072995350.db2.gz PECIYTXGXPFUCN-WDEREUQCSA-N -1 1 383.430 -0.412 20 0 GBADMM COc1cc(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000440295988 1073001368 /nfs/dbraw/zinc/00/13/68/1073001368.db2.gz KKHXLTZEUYNXCD-JTQLQIEISA-N -1 1 398.441 -0.306 20 0 GBADMM COc1cc(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000440295989 1073001475 /nfs/dbraw/zinc/00/14/75/1073001475.db2.gz KKHXLTZEUYNXCD-SNVBAGLBSA-N -1 1 398.441 -0.306 20 0 GBADMM COc1ccc(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000440298021 1073001796 /nfs/dbraw/zinc/00/17/96/1073001796.db2.gz STMHGZLJLZGAGG-JTQLQIEISA-N -1 1 398.441 -0.306 20 0 GBADMM COc1ccc(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000440298023 1073001500 /nfs/dbraw/zinc/00/15/00/1073001500.db2.gz STMHGZLJLZGAGG-SNVBAGLBSA-N -1 1 398.441 -0.306 20 0 GBADMM COC(=O)CCc1nnc([N-]C(=O)c2ccc(CNS(C)(=O)=O)o2)s1 ZINC000440537923 530173276 /nfs/dbraw/zinc/17/32/76/530173276.db2.gz HMLDSZWWGAHIJK-UHFFFAOYSA-N -1 1 388.427 0.538 20 0 GBADMM Cc1oc(C(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cc1S(=O)(=O)N(C)C ZINC000440552486 1073084020 /nfs/dbraw/zinc/08/40/20/1073084020.db2.gz WXVUMBUPYNUOSC-UHFFFAOYSA-N -1 1 384.418 -0.230 20 0 GBADMM COc1cccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)n1 ZINC000440656423 1073087910 /nfs/dbraw/zinc/08/79/10/1073087910.db2.gz YJFUETKILKHPIM-UHFFFAOYSA-N -1 1 382.398 -0.581 20 0 GBADMM Cc1nc(CN2CCN(C(=O)C(=O)N=c3nc(C(C)(C)C)[n-]s3)CC2)n[nH]1 ZINC000440749299 1073095086 /nfs/dbraw/zinc/09/50/86/1073095086.db2.gz GPWLFNWLUZDYBU-UHFFFAOYSA-N -1 1 392.489 -0.033 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)o1 ZINC000440895664 530387426 /nfs/dbraw/zinc/38/74/26/530387426.db2.gz PWMGPRMHFIDYQB-UHFFFAOYSA-N -1 1 391.471 -0.126 20 0 GBADMM COc1ccc(NC(=O)C(=O)N2CC(n3ccnn3)C2)cc1[N-]S(C)(=O)=O ZINC000441319568 1073116504 /nfs/dbraw/zinc/11/65/04/1073116504.db2.gz XDTNTGDXLMJDOJ-UHFFFAOYSA-N -1 1 394.413 -0.320 20 0 GBADMM COc1cc(NC(=O)C(=O)N2CC(n3ccnn3)C2)ccc1[N-]S(C)(=O)=O ZINC000441326069 1073116946 /nfs/dbraw/zinc/11/69/46/1073116946.db2.gz VNWAHPJQNMNFGD-UHFFFAOYSA-N -1 1 394.413 -0.320 20 0 GBADMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)nn1 ZINC000441855159 530388069 /nfs/dbraw/zinc/38/80/69/530388069.db2.gz GQPWKBALXJZNNQ-UHFFFAOYSA-N -1 1 388.427 -0.667 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)OC)[C@@H]2C(=O)OC)o1 ZINC000442137811 1073247294 /nfs/dbraw/zinc/24/72/94/1073247294.db2.gz PAWMJTHPFPOMFZ-BXKDBHETSA-N -1 1 388.398 -0.246 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)o1 ZINC000442137812 1073247135 /nfs/dbraw/zinc/24/71/35/1073247135.db2.gz PAWMJTHPFPOMFZ-CABZTGNLSA-N -1 1 388.398 -0.246 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)OC)[C@@H]2C(=O)OC)o1 ZINC000442137814 1073247322 /nfs/dbraw/zinc/24/73/22/1073247322.db2.gz PAWMJTHPFPOMFZ-JOYOIKCWSA-N -1 1 388.398 -0.246 20 0 GBADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)OC)[C@H]2C(=O)OC)o1 ZINC000442137816 1073247469 /nfs/dbraw/zinc/24/74/69/1073247469.db2.gz PAWMJTHPFPOMFZ-SKDRFNHKSA-N -1 1 388.398 -0.246 20 0 GBADMM COc1cc(NC(=O)C(=O)N2C[C@@H](F)C[C@@H]2CO)ccc1[N-]S(C)(=O)=O ZINC000442269010 1073253616 /nfs/dbraw/zinc/25/36/16/1073253616.db2.gz OLRWXDOSDAUPOL-GXSJLCMTSA-N -1 1 389.405 -0.064 20 0 GBADMM COc1cc(NC(=O)C(=O)N2C[C@H](F)C[C@H]2CO)ccc1[N-]S(C)(=O)=O ZINC000442269012 1073253629 /nfs/dbraw/zinc/25/36/29/1073253629.db2.gz OLRWXDOSDAUPOL-KOLCDFICSA-N -1 1 389.405 -0.064 20 0 GBADMM COc1cc(NC(=O)C(=O)N2C[C@H](F)C[C@@H]2CO)ccc1[N-]S(C)(=O)=O ZINC000442269014 1073253753 /nfs/dbraw/zinc/25/37/53/1073253753.db2.gz OLRWXDOSDAUPOL-MWLCHTKSSA-N -1 1 389.405 -0.064 20 0 GBADMM COc1cc(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2CO)ccc1[N-]S(C)(=O)=O ZINC000442269016 1073253584 /nfs/dbraw/zinc/25/35/84/1073253584.db2.gz OLRWXDOSDAUPOL-ONGXEEELSA-N -1 1 389.405 -0.064 20 0 GBADMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)c1cc(=O)n2[n-]cnc2n1 ZINC000442963528 1073277600 /nfs/dbraw/zinc/27/76/00/1073277600.db2.gz IREUKJYQWHVSQU-UHFFFAOYSA-N -1 1 398.351 -0.596 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCS(=O)(=O)N(CC)CC ZINC000443065811 530389890 /nfs/dbraw/zinc/38/98/90/530389890.db2.gz GBCOIPJHEUCNHF-UHFFFAOYSA-N -1 1 382.464 -0.464 20 0 GBADMM O=c1nc2[nH]cc(S(=O)(=O)NCCCN3CCC(O)CC3)cc-2c(=O)[n-]1 ZINC000443158125 1073282063 /nfs/dbraw/zinc/28/20/63/1073282063.db2.gz NHVIRMAQUXZDJR-UHFFFAOYSA-N -1 1 383.430 -0.439 20 0 GBADMM Cn1c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)ccc2[nH]c1=O ZINC000443167168 1073283165 /nfs/dbraw/zinc/28/31/65/1073283165.db2.gz KKRNUHORRIUGJZ-UHFFFAOYSA-N -1 1 393.381 -0.112 20 0 GBADMM COc1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(OC)c1O ZINC000443182358 1073283067 /nfs/dbraw/zinc/28/30/67/1073283067.db2.gz ORWSXPHSCBJXQM-UHFFFAOYSA-N -1 1 385.398 -0.715 20 0 GBADMM Cn1nnc(C[N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)n1 ZINC000443196023 530390459 /nfs/dbraw/zinc/39/04/59/530390459.db2.gz MONUACQAXAUWDO-UHFFFAOYSA-N -1 1 375.208 -0.450 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)c(=O)n(C)c1=O ZINC000443220610 1073284517 /nfs/dbraw/zinc/28/45/17/1073284517.db2.gz AOBYVLJZTFTQMV-UHFFFAOYSA-N -1 1 390.368 -0.399 20 0 GBADMM COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)[N-]CC(F)(F)F ZINC000443222736 530391056 /nfs/dbraw/zinc/39/10/56/530391056.db2.gz FIIRCUMEYYKGHH-UHFFFAOYSA-N -1 1 376.401 -0.895 20 0 GBADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(O)CN2CCOCC2)o1 ZINC000443236884 530390889 /nfs/dbraw/zinc/39/08/89/530390889.db2.gz HDGYMMASBYFAEU-HNNXBMFYSA-N -1 1 376.431 -0.182 20 0 GBADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(O)CN2CCOCC2)o1 ZINC000443236885 530391120 /nfs/dbraw/zinc/39/11/20/530391120.db2.gz HDGYMMASBYFAEU-OAHLLOKOSA-N -1 1 376.431 -0.182 20 0 GBADMM CCN(C(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)[C@@H]1CCNC1=O ZINC000443246609 1073285822 /nfs/dbraw/zinc/28/58/22/1073285822.db2.gz KMMRDAMDGFSKOA-GFCCVEGCSA-N -1 1 398.441 -0.258 20 0 GBADMM CCN(C(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)[C@H]1CCNC1=O ZINC000443246610 1073285566 /nfs/dbraw/zinc/28/55/66/1073285566.db2.gz KMMRDAMDGFSKOA-LBPRGKRZSA-N -1 1 398.441 -0.258 20 0 GBADMM CCN(C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H]1CCNC1=O ZINC000443256165 1073287693 /nfs/dbraw/zinc/28/76/93/1073287693.db2.gz XUNGHKDXIQVWHR-GFCCVEGCSA-N -1 1 398.441 -0.258 20 0 GBADMM CCN(C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@H]1CCNC1=O ZINC000443256166 1073287618 /nfs/dbraw/zinc/28/76/18/1073287618.db2.gz XUNGHKDXIQVWHR-LBPRGKRZSA-N -1 1 398.441 -0.258 20 0 GBADMM COc1cc(NC(=O)C(=O)N[C@H]2C(=O)NCC[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000443267762 1073288550 /nfs/dbraw/zinc/28/85/50/1073288550.db2.gz UKSQXHQQSCPQOU-NOZJJQNGSA-N -1 1 398.441 -0.354 20 0 GBADMM COc1cc(NC(=O)C(=O)N[C@@H]2C(=O)NCC[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000443267765 1073288543 /nfs/dbraw/zinc/28/85/43/1073288543.db2.gz UKSQXHQQSCPQOU-RNCFNFMXSA-N -1 1 398.441 -0.354 20 0 GBADMM COc1cc(NC(=O)C(=O)N[C@H]2C(=O)NCC[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000443268014 1073288884 /nfs/dbraw/zinc/28/88/84/1073288884.db2.gz UKSQXHQQSCPQOU-TVQRCGJNSA-N -1 1 398.441 -0.354 20 0 GBADMM COc1cc(NC(=O)C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000443268016 1073289004 /nfs/dbraw/zinc/28/90/04/1073289004.db2.gz UKSQXHQQSCPQOU-ZANVPECISA-N -1 1 398.441 -0.354 20 0 GBADMM COc1ccc(NC(=O)C(=O)N[C@H]2C(=O)NCC[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000443268503 1073288560 /nfs/dbraw/zinc/28/85/60/1073288560.db2.gz WLZVJTXHDWJJKA-NOZJJQNGSA-N -1 1 398.441 -0.354 20 0 GBADMM COc1ccc(NC(=O)C(=O)N[C@@H]2C(=O)NCC[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000443268505 1073288566 /nfs/dbraw/zinc/28/85/66/1073288566.db2.gz WLZVJTXHDWJJKA-RNCFNFMXSA-N -1 1 398.441 -0.354 20 0 GBADMM COc1ccc(NC(=O)C(=O)N[C@H]2C(=O)NCC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000443268509 1073288734 /nfs/dbraw/zinc/28/87/34/1073288734.db2.gz WLZVJTXHDWJJKA-TVQRCGJNSA-N -1 1 398.441 -0.354 20 0 GBADMM COc1ccc(NC(=O)C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000443268512 1073288769 /nfs/dbraw/zinc/28/87/69/1073288769.db2.gz WLZVJTXHDWJJKA-ZANVPECISA-N -1 1 398.441 -0.354 20 0 GBADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCOC2)c(F)c1 ZINC000443278248 530391527 /nfs/dbraw/zinc/39/15/27/530391527.db2.gz VCZXCJWVEYEQHQ-BXKDBHETSA-N -1 1 382.435 -0.127 20 0 GBADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](O)[C@H]2CCOC2)c(F)c1 ZINC000443278250 530391522 /nfs/dbraw/zinc/39/15/22/530391522.db2.gz VCZXCJWVEYEQHQ-CABZTGNLSA-N -1 1 382.435 -0.127 20 0 GBADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](O)[C@H]2CCOC2)c(F)c1 ZINC000443278252 530391303 /nfs/dbraw/zinc/39/13/03/530391303.db2.gz VCZXCJWVEYEQHQ-JOYOIKCWSA-N -1 1 382.435 -0.127 20 0 GBADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](O)[C@@H]2CCOC2)c(F)c1 ZINC000443278253 530391448 /nfs/dbraw/zinc/39/14/48/530391448.db2.gz VCZXCJWVEYEQHQ-SKDRFNHKSA-N -1 1 382.435 -0.127 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000443338817 1073292906 /nfs/dbraw/zinc/29/29/06/1073292906.db2.gz WMYQHZKVAWGNDA-CLAHSXSESA-N -1 1 385.402 -0.757 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000443338820 1073292968 /nfs/dbraw/zinc/29/29/68/1073292968.db2.gz WMYQHZKVAWGNDA-RMLUDKJBSA-N -1 1 385.402 -0.757 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000443338822 1073293039 /nfs/dbraw/zinc/29/30/39/1073293039.db2.gz WMYQHZKVAWGNDA-RTHLEPHNSA-N -1 1 385.402 -0.757 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000443338824 1073292842 /nfs/dbraw/zinc/29/28/42/1073292842.db2.gz WMYQHZKVAWGNDA-XLKFXECMSA-N -1 1 385.402 -0.757 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000443368231 1073293591 /nfs/dbraw/zinc/29/35/91/1073293591.db2.gz XNPKBVSFQULKBI-GFCCVEGCSA-N -1 1 388.446 -0.252 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C(=O)N1CCOCC1)C(C)C ZINC000443368233 1073293749 /nfs/dbraw/zinc/29/37/49/1073293749.db2.gz XNPKBVSFQULKBI-LBPRGKRZSA-N -1 1 388.446 -0.252 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(C2CCOCC2)C1=O ZINC000443378775 1073293951 /nfs/dbraw/zinc/29/39/51/1073293951.db2.gz WCJHRHRKHTUEJP-GFCCVEGCSA-N -1 1 386.430 -0.355 20 0 GBADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(C2CCOCC2)C1=O ZINC000443378777 1073293897 /nfs/dbraw/zinc/29/38/97/1073293897.db2.gz WCJHRHRKHTUEJP-LBPRGKRZSA-N -1 1 386.430 -0.355 20 0 GBADMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)nn1 ZINC000443395758 1073294344 /nfs/dbraw/zinc/29/43/44/1073294344.db2.gz VRVFLUOZEHULPG-UHFFFAOYSA-N -1 1 386.361 -0.145 20 0 GBADMM CNC(=O)c1cc(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cn1C ZINC000443410688 1073294567 /nfs/dbraw/zinc/29/45/67/1073294567.db2.gz RWXZLIGSWSOWJL-UHFFFAOYSA-N -1 1 377.386 -0.133 20 0 GBADMM CNC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000443530694 974121272 /nfs/dbraw/zinc/12/12/72/974121272.db2.gz OGTAZCGPWBTCSN-UHFFFAOYSA-N -1 1 394.409 0.000 20 0 GBADMM CNC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000443531280 1073307307 /nfs/dbraw/zinc/30/73/07/1073307307.db2.gz PWMQHTXAOHKAQQ-UHFFFAOYSA-N -1 1 380.382 -0.011 20 0 GBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c[nH]c3ncccc23)o1 ZINC000443649259 1073315601 /nfs/dbraw/zinc/31/56/01/1073315601.db2.gz GGDPGOFAPJYJIQ-UHFFFAOYSA-N -1 1 391.409 -0.108 20 0 GBADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2cc(C(N)=O)no2)c(F)c1 ZINC000443752005 530393015 /nfs/dbraw/zinc/39/30/15/530393015.db2.gz GJFXWWFOZDRYEP-UHFFFAOYSA-N -1 1 392.390 -0.237 20 0 GBADMM COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443766997 530392870 /nfs/dbraw/zinc/39/28/70/530392870.db2.gz ZMNNBRJMLMOFFG-KOLCDFICSA-N -1 1 396.418 -0.506 20 0 GBADMM CCC(CC)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)OC ZINC000443967611 1073392979 /nfs/dbraw/zinc/39/29/79/1073392979.db2.gz YLDCBBGVMKJYOO-UHFFFAOYSA-N -1 1 389.430 -0.248 20 0 GBADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)sc1C ZINC000444040946 530393406 /nfs/dbraw/zinc/39/34/06/530393406.db2.gz 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ZINC000736783577 599532254 /nfs/dbraw/zinc/53/22/54/599532254.db2.gz MXAOQJMVMSERTF-UHFFFAOYSA-N -1 1 384.400 -0.983 20 0 GBADMM CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736784020 598686917 /nfs/dbraw/zinc/68/69/17/598686917.db2.gz WONNCNGIISFNFY-UHFFFAOYSA-N -1 1 384.393 -0.515 20 0 GBADMM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736784553 598260463 /nfs/dbraw/zinc/26/04/63/598260463.db2.gz UZIVTAFALDGOIC-UHFFFAOYSA-N -1 1 377.386 -0.208 20 0 GBADMM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736784553 598260461 /nfs/dbraw/zinc/26/04/61/598260461.db2.gz UZIVTAFALDGOIC-UHFFFAOYSA-N -1 1 377.386 -0.208 20 0 GBADMM CN(C[C@H]1CCCN1c1cccnn1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736793941 598544331 /nfs/dbraw/zinc/54/43/31/598544331.db2.gz OWMZDSCXXCSVPT-LLVKDONJSA-N -1 1 398.431 -0.841 20 0 GBADMM CN(C[C@@H]1CCCN1c1cccnn1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736793944 598544498 /nfs/dbraw/zinc/54/44/98/598544498.db2.gz 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CNS(=O)(=O)CCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736883189 599368038 /nfs/dbraw/zinc/36/80/38/599368038.db2.gz NVGMYPVCHRZZSW-UHFFFAOYSA-N -1 1 398.445 -0.001 20 0 GBADMM COC(=O)C(C)(C)NCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000736890024 598539330 /nfs/dbraw/zinc/53/93/30/598539330.db2.gz ZGWKCWKFXYYXAD-UHFFFAOYSA-N -1 1 392.420 -0.647 20 0 GBADMM COC(=O)[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(C)cc1 ZINC000736891654 598427457 /nfs/dbraw/zinc/42/74/57/598427457.db2.gz JYHIMHBXVDIQCR-GFCCVEGCSA-N -1 1 399.411 -0.059 20 0 GBADMM COC(=O)[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(C)cc1 ZINC000736891666 598427152 /nfs/dbraw/zinc/42/71/52/598427152.db2.gz JYHIMHBXVDIQCR-LBPRGKRZSA-N -1 1 399.411 -0.059 20 0 GBADMM COC(=O)[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000736895666 599322243 /nfs/dbraw/zinc/32/22/43/599322243.db2.gz ZVOPVEIFBKDQSN-LLVKDONJSA-N -1 1 385.384 -0.367 20 0 GBADMM COC(=O)[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 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ACXCKALWZNGESJ-VIFPVBQESA-N -1 1 384.443 -0.069 20 0 GBADMM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736909980 599006239 /nfs/dbraw/zinc/00/62/39/599006239.db2.gz ACXCKALWZNGESJ-VIFPVBQESA-N -1 1 384.443 -0.069 20 0 GBADMM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736913030 598688138 /nfs/dbraw/zinc/68/81/38/598688138.db2.gz WDMJPYUCNMDNLU-LLVKDONJSA-N -1 1 398.376 -0.942 20 0 GBADMM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736913032 598688217 /nfs/dbraw/zinc/68/82/17/598688217.db2.gz WDMJPYUCNMDNLU-NSHDSACASA-N -1 1 398.376 -0.942 20 0 GBADMM COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736913256 598959553 /nfs/dbraw/zinc/95/95/53/598959553.db2.gz LZADAOVDINNQFH-LLVKDONJSA-N -1 1 396.429 -0.006 20 0 GBADMM COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736913256 598959551 /nfs/dbraw/zinc/95/95/51/598959551.db2.gz LZADAOVDINNQFH-LLVKDONJSA-N -1 1 396.429 -0.006 20 0 GBADMM COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736913257 598959743 /nfs/dbraw/zinc/95/97/43/598959743.db2.gz LZADAOVDINNQFH-NSHDSACASA-N -1 1 396.429 -0.006 20 0 GBADMM COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736913257 598959742 /nfs/dbraw/zinc/95/97/42/598959742.db2.gz LZADAOVDINNQFH-NSHDSACASA-N -1 1 396.429 -0.006 20 0 GBADMM COC(=O)[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCO1 ZINC000736913565 598670173 /nfs/dbraw/zinc/67/01/73/598670173.db2.gz XTEDUFQCQBAUOM-GFCCVEGCSA-N -1 1 390.400 -0.083 20 0 GBADMM COC(=O)[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCO1 ZINC000736913567 598670093 /nfs/dbraw/zinc/67/00/93/598670093.db2.gz XTEDUFQCQBAUOM-LBPRGKRZSA-N -1 1 390.400 -0.083 20 0 GBADMM COC(=O)CCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736918446 598270624 /nfs/dbraw/zinc/27/06/24/598270624.db2.gz BYNFJSYPPZBXKD-UHFFFAOYSA-N -1 1 381.418 -0.869 20 0 GBADMM COC(=O)CCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736918446 598270622 /nfs/dbraw/zinc/27/06/22/598270622.db2.gz BYNFJSYPPZBXKD-UHFFFAOYSA-N -1 1 381.418 -0.869 20 0 GBADMM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736921486 598581811 /nfs/dbraw/zinc/58/18/11/598581811.db2.gz DMXKNBJEZAFCGJ-UHFFFAOYSA-N -1 1 387.349 -0.658 20 0 GBADMM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736923701 599031317 /nfs/dbraw/zinc/03/13/17/599031317.db2.gz SKJJAQKJZXKMGA-UHFFFAOYSA-N -1 1 375.389 -0.791 20 0 GBADMM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736923701 599031316 /nfs/dbraw/zinc/03/13/16/599031316.db2.gz SKJJAQKJZXKMGA-UHFFFAOYSA-N -1 1 375.389 -0.791 20 0 GBADMM COC(=O)NCc1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000736938333 599231617 /nfs/dbraw/zinc/23/16/17/599231617.db2.gz COBIYIPYVIRNBL-UHFFFAOYSA-N -1 1 386.372 -0.136 20 0 GBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCC(=O)c2ccccc2)c1 ZINC000736941814 598372848 /nfs/dbraw/zinc/37/28/48/598372848.db2.gz VZLCRKKDWMTMSB-UHFFFAOYSA-N -1 1 396.363 -0.186 20 0 GBADMM COC(=O)c1ccc2c(c1)CN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000736948704 598387765 /nfs/dbraw/zinc/38/77/65/598387765.db2.gz OWNIZPBXAFYUJQ-UHFFFAOYSA-N -1 1 383.368 -0.429 20 0 GBADMM COC(=O)c1cc(NC(=O)Cn2cnnc2-c2nn[n-]n2)cc(C(=O)OC)c1 ZINC000736951947 598877455 /nfs/dbraw/zinc/87/74/55/598877455.db2.gz WMQCQWWJAIVPID-UHFFFAOYSA-N -1 1 386.328 -0.330 20 0 GBADMM COC(C)(C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000736956932 598477021 /nfs/dbraw/zinc/47/70/21/598477021.db2.gz CWEPXNNXGFDBNJ-UHFFFAOYSA-N -1 1 393.404 -0.220 20 0 GBADMM CCC[C@](C)(NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000736961430 600322546 /nfs/dbraw/zinc/32/25/46/600322546.db2.gz SCDFRLVTKKFYTO-BBRMVZONSA-N -1 1 375.491 -0.449 20 0 GBADMM CCC[C@](C)(NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000736961432 600322960 /nfs/dbraw/zinc/32/29/60/600322960.db2.gz SCDFRLVTKKFYTO-CJNGLKHVSA-N -1 1 375.491 -0.449 20 0 GBADMM CCC[C@@](C)(NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000736961435 600322822 /nfs/dbraw/zinc/32/28/22/600322822.db2.gz SCDFRLVTKKFYTO-CZUORRHYSA-N -1 1 375.491 -0.449 20 0 GBADMM CCC[C@@](C)(NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000736961438 600322515 /nfs/dbraw/zinc/32/25/15/600322515.db2.gz SCDFRLVTKKFYTO-XJKSGUPXSA-N -1 1 375.491 -0.449 20 0 GBADMM COCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736965835 598690259 /nfs/dbraw/zinc/69/02/59/598690259.db2.gz IHMYATWYYFPYLQ-UHFFFAOYSA-N -1 1 398.420 -0.079 20 0 GBADMM COCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736966091 598689994 /nfs/dbraw/zinc/68/99/94/598689994.db2.gz KJLLRGSNYLKEBM-UHFFFAOYSA-N -1 1 384.393 -0.515 20 0 GBADMM COC[C@H](C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000736969712 598779206 /nfs/dbraw/zinc/77/92/06/598779206.db2.gz YDPNWNXWQMDKLI-JTQLQIEISA-N -1 1 393.404 -0.363 20 0 GBADMM COC[C@@H](C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000736969715 598779058 /nfs/dbraw/zinc/77/90/58/598779058.db2.gz YDPNWNXWQMDKLI-SNVBAGLBSA-N -1 1 393.404 -0.363 20 0 GBADMM COCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000736977552 598426981 /nfs/dbraw/zinc/42/69/81/598426981.db2.gz XDPVTFPGSPFLOV-UHFFFAOYSA-N -1 1 379.377 -0.609 20 0 GBADMM COCCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736980834 599025520 /nfs/dbraw/zinc/02/55/20/599025520.db2.gz FFNJQSCIZYAMTI-GFCCVEGCSA-N -1 1 380.430 -0.073 20 0 GBADMM COCCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736980834 599025518 /nfs/dbraw/zinc/02/55/18/599025518.db2.gz FFNJQSCIZYAMTI-GFCCVEGCSA-N -1 1 380.430 -0.073 20 0 GBADMM COCCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000736980836 599025166 /nfs/dbraw/zinc/02/51/66/599025166.db2.gz FFNJQSCIZYAMTI-LBPRGKRZSA-N -1 1 380.430 -0.073 20 0 GBADMM COCCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000736980836 599025165 /nfs/dbraw/zinc/02/51/65/599025165.db2.gz FFNJQSCIZYAMTI-LBPRGKRZSA-N -1 1 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ZINC000737201426 598384154 /nfs/dbraw/zinc/38/41/54/598384154.db2.gz RZXBEMOGZFHUSJ-GFCCVEGCSA-N -1 1 399.411 -0.077 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000737201429 598384148 /nfs/dbraw/zinc/38/41/48/598384148.db2.gz RZXBEMOGZFHUSJ-LBPRGKRZSA-N -1 1 399.411 -0.077 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCNS(C)(=O)=O ZINC000737202222 598375581 /nfs/dbraw/zinc/37/55/81/598375581.db2.gz XNKMOQWCTQSNEI-UHFFFAOYSA-N -1 1 384.418 -0.391 20 0 GBADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)nnn1-c1ccc2c(c1)OCCO2 ZINC000737209349 598568816 /nfs/dbraw/zinc/56/88/16/598568816.db2.gz NHXQKLCXBQVNHQ-UHFFFAOYSA-N -1 1 394.355 -0.006 20 0 GBADMM CCc1cc(CNC(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)n[nH]1 ZINC000737251727 600348989 /nfs/dbraw/zinc/34/89/89/600348989.db2.gz XWUAAQDHKSTLPL-UHFFFAOYSA-N -1 1 387.396 -0.030 20 0 GBADMM Cc1cc(C)n2nc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)nc2n1 ZINC000737255595 598278910 /nfs/dbraw/zinc/27/89/10/598278910.db2.gz BAFGBMYFWFSZSU-UHFFFAOYSA-N -1 1 397.407 -0.019 20 0 GBADMM Cc1cc(C)n2nc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)nc2n1 ZINC000737255595 598278909 /nfs/dbraw/zinc/27/89/09/598278909.db2.gz BAFGBMYFWFSZSU-UHFFFAOYSA-N -1 1 397.407 -0.019 20 0 GBADMM Cc1cc(C)n([C@@H]2CCCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)n1 ZINC000737258120 598339844 /nfs/dbraw/zinc/33/98/44/598339844.db2.gz YQEMMWSSDMRYGH-GFCCVEGCSA-N -1 1 385.432 -0.081 20 0 GBADMM Cc1cc(C)n([C@H]2CCCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)n1 ZINC000737258124 598339681 /nfs/dbraw/zinc/33/96/81/598339681.db2.gz YQEMMWSSDMRYGH-LBPRGKRZSA-N -1 1 385.432 -0.081 20 0 GBADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000737267833 637607562 /nfs/dbraw/zinc/60/75/62/637607562.db2.gz MJBILDPMKIJMTQ-UHFFFAOYSA-N -1 1 383.162 -0.012 20 0 GBADMM Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)no1 ZINC000737271217 599021079 /nfs/dbraw/zinc/02/10/79/599021079.db2.gz KVBZEVVQLRTCMX-UHFFFAOYSA-N -1 1 397.399 -0.045 20 0 GBADMM Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)no1 ZINC000737271217 599021077 /nfs/dbraw/zinc/02/10/77/599021077.db2.gz KVBZEVVQLRTCMX-UHFFFAOYSA-N -1 1 397.399 -0.045 20 0 GBADMM Cc1cc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n2ncnc2n1 ZINC000737271412 599022484 /nfs/dbraw/zinc/02/24/84/599022484.db2.gz KYTCOEGPGUZLKU-UHFFFAOYSA-N -1 1 391.399 -0.030 20 0 GBADMM Cc1cc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n2ncnc2n1 ZINC000737271412 599022482 /nfs/dbraw/zinc/02/24/82/599022482.db2.gz KYTCOEGPGUZLKU-UHFFFAOYSA-N -1 1 391.399 -0.030 20 0 GBADMM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000737272775 598262356 /nfs/dbraw/zinc/26/23/56/598262356.db2.gz ZWMQYOIIUIJKND-UHFFFAOYSA-N -1 1 378.374 -0.183 20 0 GBADMM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000737272775 598262355 /nfs/dbraw/zinc/26/23/55/598262355.db2.gz ZWMQYOIIUIJKND-UHFFFAOYSA-N -1 1 378.374 -0.183 20 0 GBADMM Cc1ccc(C(=O)NCCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000737311743 598675619 /nfs/dbraw/zinc/67/56/19/598675619.db2.gz CWSOLWSOPWQSRV-UHFFFAOYSA-N -1 1 384.400 -0.586 20 0 GBADMM CN(C)C(=O)CN1CCN(C(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000737349589 600509938 /nfs/dbraw/zinc/50/99/38/600509938.db2.gz BHFDRNSFFIXBDO-HNNXBMFYSA-N -1 1 384.477 -0.826 20 0 GBADMM CN(C)C(=O)CN1CCN(C(=O)CN(CCC(=O)[O-])C[C@H]2CCCO2)CC1 ZINC000737349591 600510228 /nfs/dbraw/zinc/51/02/28/600510228.db2.gz BHFDRNSFFIXBDO-OAHLLOKOSA-N -1 1 384.477 -0.826 20 0 GBADMM Cc1ccc(N2CCCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)nn1 ZINC000737353295 598788100 /nfs/dbraw/zinc/78/81/00/598788100.db2.gz UUZPCOFVNHSKRP-UHFFFAOYSA-N -1 1 398.431 -0.921 20 0 GBADMM Cc1ccc(N2CCC[C@@H](Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)nn1 ZINC000737353340 598544932 /nfs/dbraw/zinc/54/49/32/598544932.db2.gz VJKBOKONTCBYQW-LLVKDONJSA-N -1 1 398.431 -0.557 20 0 GBADMM Cc1ccc(N2CCC[C@H](Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)nn1 ZINC000737353343 598544990 /nfs/dbraw/zinc/54/49/90/598544990.db2.gz VJKBOKONTCBYQW-NSHDSACASA-N -1 1 398.431 -0.557 20 0 GBADMM CN(CC(=O)N(CCN1CCOCC1)CC(=O)[O-])c1ncnc2[nH]cnc21 ZINC000737384249 600262510 /nfs/dbraw/zinc/26/25/10/600262510.db2.gz BJTKIBXMLHTCDN-UHFFFAOYSA-N -1 1 377.405 -0.966 20 0 GBADMM Cc1cccc(NC[C@H]2CCN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)n1 ZINC000737398579 598671460 /nfs/dbraw/zinc/67/14/60/598671460.db2.gz CBRYCCCLFCGTOW-GFCCVEGCSA-N -1 1 397.443 -0.094 20 0 GBADMM Cc1cccc(NC[C@@H]2CCN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)n1 ZINC000737398581 598671499 /nfs/dbraw/zinc/67/14/99/598671499.db2.gz CBRYCCCLFCGTOW-LBPRGKRZSA-N -1 1 397.443 -0.094 20 0 GBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000737401144 600290236 /nfs/dbraw/zinc/29/02/36/600290236.db2.gz JTBGQZVBASZRCP-UHFFFAOYSA-N -1 1 384.458 -0.611 20 0 GBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000737401340 600159345 /nfs/dbraw/zinc/15/93/45/600159345.db2.gz MOIOOKWNUAHXPF-UHFFFAOYSA-N -1 1 376.457 -0.147 20 0 GBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000737401526 600317492 /nfs/dbraw/zinc/31/74/92/600317492.db2.gz QCQJDOOSCXFKEJ-UHFFFAOYSA-N -1 1 387.444 -0.287 20 0 GBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000737401568 600441952 /nfs/dbraw/zinc/44/19/52/600441952.db2.gz RJGGMGVTIKQOMK-UHFFFAOYSA-N -1 1 392.460 -0.632 20 0 GBADMM CN(CC(=O)[O-])C(=O)CCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000737401733 600428703 /nfs/dbraw/zinc/42/87/03/600428703.db2.gz SXZIFPQLNZDPSJ-UHFFFAOYSA-N -1 1 393.469 -0.193 20 0 GBADMM CN(CCC(=O)NCC(=O)[O-])CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000737412674 600292982 /nfs/dbraw/zinc/29/29/82/600292982.db2.gz UOTYVLPSJOYSRQ-UHFFFAOYSA-N -1 1 386.449 -0.412 20 0 GBADMM Cc1ccnc(NC(=O)CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000737436625 598312982 /nfs/dbraw/zinc/31/29/82/598312982.db2.gz JGRQAGBLWGMLLP-UHFFFAOYSA-N -1 1 385.388 -0.958 20 0 GBADMM Cc1ccnc(NC[C@H]2CCN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)c1 ZINC000737437316 598671788 /nfs/dbraw/zinc/67/17/88/598671788.db2.gz OAFZVWSYVMWTOC-GFCCVEGCSA-N -1 1 397.443 -0.094 20 0 GBADMM Cc1ccnc(NC[C@@H]2CCN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)C2)c1 ZINC000737437320 598671920 /nfs/dbraw/zinc/67/19/20/598671920.db2.gz OAFZVWSYVMWTOC-LBPRGKRZSA-N -1 1 397.443 -0.094 20 0 GBADMM Cc1ccoc1C(=O)NCCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737441809 599533362 /nfs/dbraw/zinc/53/33/62/599533362.db2.gz LFUQYVMELWRGKV-UHFFFAOYSA-N -1 1 388.388 -0.602 20 0 GBADMM Cc1cnn(CC2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000737442308 598338245 /nfs/dbraw/zinc/33/82/45/598338245.db2.gz DJQOBCQFLMLWJI-UHFFFAOYSA-N -1 1 385.432 -0.314 20 0 GBADMM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCO2)c1 ZINC000737444669 598749149 /nfs/dbraw/zinc/74/91/49/598749149.db2.gz OBYJHLMVCWDQCX-GFCCVEGCSA-N -1 1 390.429 -0.144 20 0 GBADMM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCO2)c1 ZINC000737444669 598749147 /nfs/dbraw/zinc/74/91/47/598749147.db2.gz OBYJHLMVCWDQCX-GFCCVEGCSA-N -1 1 390.429 -0.144 20 0 GBADMM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCO2)c1 ZINC000737444670 598749170 /nfs/dbraw/zinc/74/91/70/598749170.db2.gz OBYJHLMVCWDQCX-LBPRGKRZSA-N -1 1 390.429 -0.144 20 0 GBADMM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCO2)c1 ZINC000737444670 598749168 /nfs/dbraw/zinc/74/91/68/598749168.db2.gz OBYJHLMVCWDQCX-LBPRGKRZSA-N -1 1 390.429 -0.144 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)Cc3ccon3)CC2)o1 ZINC000737466875 945072683 /nfs/dbraw/zinc/07/26/83/945072683.db2.gz FSGIOJXNNKCBMR-UHFFFAOYSA-N -1 1 387.404 -0.068 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCn4ccnc4C3)CC2)o1 ZINC000737467150 598764225 /nfs/dbraw/zinc/76/42/25/598764225.db2.gz LVIKHZGMMKHTMV-UHFFFAOYSA-N -1 1 398.431 -0.476 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3(O)CCC3)CC2)o1 ZINC000737467168 598898861 /nfs/dbraw/zinc/89/88/61/598898861.db2.gz MIQPWJUOQALJNP-UHFFFAOYSA-N -1 1 391.388 -0.730 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@H](O)C3CC3)CC2)o1 ZINC000737467169 598476072 /nfs/dbraw/zinc/47/60/72/598476072.db2.gz MLBXEXOACAJICD-CYBMUJFWSA-N -1 1 391.388 -0.874 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@@H](O)C3CC3)CC2)o1 ZINC000737467170 598475932 /nfs/dbraw/zinc/47/59/32/598475932.db2.gz MLBXEXOACAJICD-ZDUSSCGKSA-N -1 1 391.388 -0.874 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3[C@@H](C)COC[C@@H]3C)CC2)o1 ZINC000737467188 598993921 /nfs/dbraw/zinc/99/39/21/598993921.db2.gz NDASCUAFUAASJX-RYUDHWBXSA-N -1 1 390.448 -0.079 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3[C@H](C)COC[C@@H]3C)CC2)o1 ZINC000737467189 598993656 /nfs/dbraw/zinc/99/36/56/598993656.db2.gz NDASCUAFUAASJX-TXEJJXNPSA-N -1 1 390.448 -0.079 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3[C@H](C)COC[C@H]3C)CC2)o1 ZINC000737467190 598993558 /nfs/dbraw/zinc/99/35/58/598993558.db2.gz NDASCUAFUAASJX-VXGBXAGGSA-N -1 1 390.448 -0.079 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)Cc3cc[nH]n3)CC2)o1 ZINC000737467198 598915532 /nfs/dbraw/zinc/91/55/32/598915532.db2.gz NHCWROROWPIEOO-UHFFFAOYSA-N -1 1 386.420 -0.333 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C(C)(C)CO)CC2)o1 ZINC000737467445 598359240 /nfs/dbraw/zinc/35/92/40/598359240.db2.gz PABUKFPWYHUZOB-UHFFFAOYSA-N -1 1 393.404 -0.627 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3=COCC3)CC2)o1 ZINC000737467478 598964769 /nfs/dbraw/zinc/96/47/69/598964769.db2.gz QABCTFHXTPYTEI-UHFFFAOYSA-N -1 1 389.372 -0.341 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C(C)(C)O)CC2)o1 ZINC000737468022 598289798 /nfs/dbraw/zinc/28/97/98/598289798.db2.gz WCJATJALBKZNGK-UHFFFAOYSA-N -1 1 379.377 -0.874 20 0 GBADMM Cc1nc(C)n([C@@H]2CCCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)n1 ZINC000737474551 598339837 /nfs/dbraw/zinc/33/98/37/598339837.db2.gz SHXUGDWUCOEMNZ-LLVKDONJSA-N -1 1 386.420 -0.686 20 0 GBADMM Cc1nc(C)n([C@H]2CCCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)n1 ZINC000737474553 598340003 /nfs/dbraw/zinc/34/00/03/598340003.db2.gz SHXUGDWUCOEMNZ-NSHDSACASA-N -1 1 386.420 -0.686 20 0 GBADMM Cc1nc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)no1 ZINC000737478408 599051577 /nfs/dbraw/zinc/05/15/77/599051577.db2.gz RZKNMRRMVNQGFU-UHFFFAOYSA-N -1 1 391.417 -0.540 20 0 GBADMM Cc1nc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)no1 ZINC000737478408 599051574 /nfs/dbraw/zinc/05/15/74/599051574.db2.gz RZKNMRRMVNQGFU-UHFFFAOYSA-N -1 1 391.417 -0.540 20 0 GBADMM Cc1nc2c(cnn2C)c(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC000737479548 598337999 /nfs/dbraw/zinc/33/79/99/598337999.db2.gz BMTXEJYRNKYZBM-UHFFFAOYSA-N -1 1 378.404 -0.032 20 0 GBADMM Cc1nc2c(cnn2C)c(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC000737479548 598337997 /nfs/dbraw/zinc/33/79/97/598337997.db2.gz BMTXEJYRNKYZBM-UHFFFAOYSA-N -1 1 378.404 -0.032 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cs1 ZINC000737482509 598674486 /nfs/dbraw/zinc/67/44/86/598674486.db2.gz MYLBYGQYBMBFAD-UHFFFAOYSA-N -1 1 393.458 -0.067 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cs1 ZINC000737482509 598674484 /nfs/dbraw/zinc/67/44/84/598674484.db2.gz MYLBYGQYBMBFAD-UHFFFAOYSA-N -1 1 393.458 -0.067 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1nnnn1C ZINC000737486068 598844502 /nfs/dbraw/zinc/84/45/02/598844502.db2.gz ABLRWDXYPGSZTN-UHFFFAOYSA-N -1 1 383.376 -0.274 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1nnnn1C ZINC000737486068 598844500 /nfs/dbraw/zinc/84/45/00/598844500.db2.gz ABLRWDXYPGSZTN-UHFFFAOYSA-N -1 1 383.376 -0.274 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCNC(=O)[C@H]1C ZINC000737486839 598505567 /nfs/dbraw/zinc/50/55/67/598505567.db2.gz FRXMJTFHDJRAKA-LLVKDONJSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCNC(=O)[C@H]1C ZINC000737486839 598505566 /nfs/dbraw/zinc/50/55/66/598505566.db2.gz FRXMJTFHDJRAKA-LLVKDONJSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1C ZINC000737486844 598505791 /nfs/dbraw/zinc/50/57/91/598505791.db2.gz FRXMJTFHDJRAKA-NSHDSACASA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1C ZINC000737486844 598505789 /nfs/dbraw/zinc/50/57/89/598505789.db2.gz FRXMJTFHDJRAKA-NSHDSACASA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCN(C)C(=O)C1 ZINC000737487507 598950568 /nfs/dbraw/zinc/95/05/68/598950568.db2.gz LAPRUHJIDQFVJB-UHFFFAOYSA-N -1 1 383.416 -0.241 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCN(C)C(=O)C1 ZINC000737487507 598950566 /nfs/dbraw/zinc/95/05/66/598950566.db2.gz LAPRUHJIDQFVJB-UHFFFAOYSA-N -1 1 383.416 -0.241 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCNC(=O)C1 ZINC000737488179 598368603 /nfs/dbraw/zinc/36/86/03/598368603.db2.gz QGTFBWOGXHAIHE-UHFFFAOYSA-N -1 1 383.416 -0.193 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCNC(=O)C1 ZINC000737488179 598368601 /nfs/dbraw/zinc/36/86/01/598368601.db2.gz QGTFBWOGXHAIHE-UHFFFAOYSA-N -1 1 383.416 -0.193 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(C)C1=O ZINC000737488209 599558503 /nfs/dbraw/zinc/55/85/03/599558503.db2.gz RDFTYRPTPVGTGT-CYBMUJFWSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(C)C1=O ZINC000737488209 599558500 /nfs/dbraw/zinc/55/85/00/599558500.db2.gz RDFTYRPTPVGTGT-CYBMUJFWSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCN(C)C1=O ZINC000737488210 599558674 /nfs/dbraw/zinc/55/86/74/599558674.db2.gz RDFTYRPTPVGTGT-ZDUSSCGKSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCN(C)C1=O ZINC000737488210 599558670 /nfs/dbraw/zinc/55/86/70/599558670.db2.gz RDFTYRPTPVGTGT-ZDUSSCGKSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[S@@](C)=O ZINC000737488402 598383593 /nfs/dbraw/zinc/38/35/93/598383593.db2.gz UMZDPXKBCJQQKY-AREMUKBSSA-N -1 1 376.446 -0.046 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[S@@](C)=O ZINC000737488402 598383591 /nfs/dbraw/zinc/38/35/91/598383591.db2.gz UMZDPXKBCJQQKY-AREMUKBSSA-N -1 1 376.446 -0.046 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[S@](C)=O ZINC000737488404 598383518 /nfs/dbraw/zinc/38/35/18/598383518.db2.gz UMZDPXKBCJQQKY-SANMLTNESA-N -1 1 376.446 -0.046 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[S@](C)=O ZINC000737488404 598383516 /nfs/dbraw/zinc/38/35/16/598383516.db2.gz UMZDPXKBCJQQKY-SANMLTNESA-N -1 1 376.446 -0.046 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCn1cncn1 ZINC000737488862 598333766 /nfs/dbraw/zinc/33/37/66/598333766.db2.gz YTMYKLLJOBKCOD-UHFFFAOYSA-N -1 1 381.404 -0.133 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCn1cncn1 ZINC000737488862 598333765 /nfs/dbraw/zinc/33/37/65/598333765.db2.gz YTMYKLLJOBKCOD-UHFFFAOYSA-N -1 1 381.404 -0.133 20 0 GBADMM Cc1nn(-c2ccccc2)c(COC(=O)CN2CC(=O)NC2=O)c1-c1nn[n-]n1 ZINC000737504435 598723435 /nfs/dbraw/zinc/72/34/35/598723435.db2.gz YQWZNZWEMFADOB-UHFFFAOYSA-N -1 1 396.367 -0.044 20 0 GBADMM Cc1nn(C)c(C)c1[C@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737511510 598339947 /nfs/dbraw/zinc/33/99/47/598339947.db2.gz SMXKCZNYLGDYEB-LLVKDONJSA-N -1 1 385.432 -0.044 20 0 GBADMM Cc1nn(C)c(C)c1[C@@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737511512 598339862 /nfs/dbraw/zinc/33/98/62/598339862.db2.gz SMXKCZNYLGDYEB-NSHDSACASA-N -1 1 385.432 -0.044 20 0 GBADMM Cc1nn(C[C@H]2CN=C(N3CCOCC3)S2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513275 945085944 /nfs/dbraw/zinc/08/59/44/945085944.db2.gz JNYBEKULNITLPY-LLVKDONJSA-N -1 1 376.446 -0.156 20 0 GBADMM Cc1nn(C[C@@H]2CN=C(N3CCOCC3)S2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513276 945085680 /nfs/dbraw/zinc/08/56/80/945085680.db2.gz JNYBEKULNITLPY-NSHDSACASA-N -1 1 376.446 -0.156 20 0 GBADMM Cc1nnc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c(C(N)=O)c1C ZINC000737522633 598246726 /nfs/dbraw/zinc/24/67/26/598246726.db2.gz WEBXAMYDFGVMGW-UHFFFAOYSA-N -1 1 381.404 -0.511 20 0 GBADMM Cc1nnc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c(C(N)=O)c1C ZINC000737522633 598246725 /nfs/dbraw/zinc/24/67/25/598246725.db2.gz WEBXAMYDFGVMGW-UHFFFAOYSA-N -1 1 381.404 -0.511 20 0 GBADMM CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737523672 600468060 /nfs/dbraw/zinc/46/80/60/600468060.db2.gz UIJFMOAMHITMFS-AWEZNQCLSA-N -1 1 376.413 -0.421 20 0 GBADMM CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737523673 600468043 /nfs/dbraw/zinc/46/80/43/600468043.db2.gz UIJFMOAMHITMFS-CQSZACIVSA-N -1 1 376.413 -0.421 20 0 GBADMM CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000737525147 600413049 /nfs/dbraw/zinc/41/30/49/600413049.db2.gz BGGMALXJUIXJOV-HNNXBMFYSA-N -1 1 377.445 -0.203 20 0 GBADMM CN1CCN(C)[C@H](CNC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000737525148 600413099 /nfs/dbraw/zinc/41/30/99/600413099.db2.gz BGGMALXJUIXJOV-OAHLLOKOSA-N -1 1 377.445 -0.203 20 0 GBADMM CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000737525201 600419516 /nfs/dbraw/zinc/41/95/16/600419516.db2.gz CLBZGCQLBLKRNO-DOMZBBRYSA-N -1 1 376.413 -0.773 20 0 GBADMM CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000737525203 600419814 /nfs/dbraw/zinc/41/98/14/600419814.db2.gz CLBZGCQLBLKRNO-IUODEOHRSA-N -1 1 376.413 -0.773 20 0 GBADMM CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000737525205 600419567 /nfs/dbraw/zinc/41/95/67/600419567.db2.gz CLBZGCQLBLKRNO-SWLSCSKDSA-N -1 1 376.413 -0.773 20 0 GBADMM CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000737525207 600419510 /nfs/dbraw/zinc/41/95/10/600419510.db2.gz CLBZGCQLBLKRNO-WFASDCNBSA-N -1 1 376.413 -0.773 20 0 GBADMM CN1CCN(C[C@H]2CN(CC(=O)Nc3nc(CC(=O)[O-])cs3)CCO2)CC1 ZINC000737525756 599970995 /nfs/dbraw/zinc/97/09/95/599970995.db2.gz GOXXEAMVICGNFU-AWEZNQCLSA-N -1 1 397.501 -0.343 20 0 GBADMM CN1CCN(C[C@@H]2CN(CC(=O)Nc3nc(CC(=O)[O-])cs3)CCO2)CC1 ZINC000737525757 599970976 /nfs/dbraw/zinc/97/09/76/599970976.db2.gz GOXXEAMVICGNFU-CQSZACIVSA-N -1 1 397.501 -0.343 20 0 GBADMM CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000737526388 600419690 /nfs/dbraw/zinc/41/96/90/600419690.db2.gz NDFZTILYMBKEFN-AWEZNQCLSA-N -1 1 378.429 -0.159 20 0 GBADMM CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000737526389 600419738 /nfs/dbraw/zinc/41/97/38/600419738.db2.gz NDFZTILYMBKEFN-CQSZACIVSA-N -1 1 378.429 -0.159 20 0 GBADMM CN1CCN(C[C@H]2CN(CC(=O)NC3(C(=O)[O-])CCCCC3)CCO2)CC1 ZINC000737526540 599971093 /nfs/dbraw/zinc/97/10/93/599971093.db2.gz SMYIJGHRLLZYJR-INIZCTEOSA-N -1 1 382.505 -0.162 20 0 GBADMM CN1CCN(C[C@@H]2CN(CC(=O)NC3(C(=O)[O-])CCCCC3)CCO2)CC1 ZINC000737526541 599970880 /nfs/dbraw/zinc/97/08/80/599970880.db2.gz SMYIJGHRLLZYJR-MRXNPFEDSA-N -1 1 382.505 -0.162 20 0 GBADMM CN1CCN(C[C@H]2CN(S(=O)(=O)c3ccc(CC(=O)[O-])cc3)CCO2)CC1 ZINC000737526838 600650741 /nfs/dbraw/zinc/65/07/41/600650741.db2.gz XMIBZYUCMCDJEM-INIZCTEOSA-N -1 1 397.497 -0.049 20 0 GBADMM CN1CCN(C[C@@H]2CN(S(=O)(=O)c3ccc(CC(=O)[O-])cc3)CCO2)CC1 ZINC000737526839 600650841 /nfs/dbraw/zinc/65/08/41/600650841.db2.gz XMIBZYUCMCDJEM-MRXNPFEDSA-N -1 1 397.497 -0.049 20 0 GBADMM CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)c2)CC1 ZINC000737528799 600052560 /nfs/dbraw/zinc/05/25/60/600052560.db2.gz POGOMAJUWQTSGG-INIZCTEOSA-N -1 1 390.440 -0.316 20 0 GBADMM CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)CC1 ZINC000737528800 600052457 /nfs/dbraw/zinc/05/24/57/600052457.db2.gz POGOMAJUWQTSGG-MRXNPFEDSA-N -1 1 390.440 -0.316 20 0 GBADMM CN1CCN(c2cc(C(=O)N(CCN3CCOCC3)CC(=O)[O-])ccn2)CC1 ZINC000737529193 600493986 /nfs/dbraw/zinc/49/39/86/600493986.db2.gz UBCRHINWCOZJPT-UHFFFAOYSA-N -1 1 391.472 -0.308 20 0 GBADMM CN1CCN(c2ccccc2NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000737529958 600055135 /nfs/dbraw/zinc/05/51/35/600055135.db2.gz PPRDDMDHIHCQDS-HNNXBMFYSA-N -1 1 376.413 -0.311 20 0 GBADMM CN1CCN(c2ccccc2NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737529959 600055150 /nfs/dbraw/zinc/05/51/50/600055150.db2.gz PPRDDMDHIHCQDS-OAHLLOKOSA-N -1 1 376.413 -0.311 20 0 GBADMM Cc1noc(OCC(=O)N2CCN(c3oc(C)nc3-c3nn[n-]n3)CC2)n1 ZINC000737545272 598434585 /nfs/dbraw/zinc/43/45/85/598434585.db2.gz DTNZZWOMQSMFFF-UHFFFAOYSA-N -1 1 375.349 -0.418 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN1C(=O)CNC1=O ZINC000737547132 598826383 /nfs/dbraw/zinc/82/63/83/598826383.db2.gz HDPCDFYSYBTSSG-UHFFFAOYSA-N -1 1 384.356 -0.160 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCN1C(=O)CNC1=O ZINC000737547132 598826381 /nfs/dbraw/zinc/82/63/81/598826381.db2.gz HDPCDFYSYBTSSG-UHFFFAOYSA-N -1 1 384.356 -0.160 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000737547233 598858549 /nfs/dbraw/zinc/85/85/49/598858549.db2.gz IXZGRKXLSMLLCA-JTQLQIEISA-N -1 1 399.367 -0.198 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000737547233 598858548 /nfs/dbraw/zinc/85/85/48/598858548.db2.gz IXZGRKXLSMLLCA-JTQLQIEISA-N -1 1 399.367 -0.198 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000737547234 598858765 /nfs/dbraw/zinc/85/87/65/598858765.db2.gz IXZGRKXLSMLLCA-SNVBAGLBSA-N -1 1 399.367 -0.198 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000737547234 598858763 /nfs/dbraw/zinc/85/87/63/598858763.db2.gz IXZGRKXLSMLLCA-SNVBAGLBSA-N -1 1 399.367 -0.198 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000737547605 599471155 /nfs/dbraw/zinc/47/11/55/599471155.db2.gz LFWUVOSPQXDMCI-KRWDZBQOSA-N -1 1 396.367 -0.017 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000737547605 599471153 /nfs/dbraw/zinc/47/11/53/599471153.db2.gz LFWUVOSPQXDMCI-KRWDZBQOSA-N -1 1 396.367 -0.017 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000737547607 599471448 /nfs/dbraw/zinc/47/14/48/599471448.db2.gz LFWUVOSPQXDMCI-QGZVFWFLSA-N -1 1 396.367 -0.017 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000737547607 599471444 /nfs/dbraw/zinc/47/14/44/599471444.db2.gz LFWUVOSPQXDMCI-QGZVFWFLSA-N -1 1 396.367 -0.017 20 0 GBADMM Cc1oc(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737550613 599209104 /nfs/dbraw/zinc/20/91/04/599209104.db2.gz AZICJHMIWDPOKX-JTQLQIEISA-N -1 1 383.434 -0.361 20 0 GBADMM Cc1oc(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737550623 599209152 /nfs/dbraw/zinc/20/91/52/599209152.db2.gz AZICJHMIWDPOKX-SNVBAGLBSA-N -1 1 383.434 -0.361 20 0 GBADMM Cc1oc(NC(=O)[C@H](C)N2CCN(CC(N)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737550836 598470504 /nfs/dbraw/zinc/47/05/04/598470504.db2.gz CQASGLHAMZBIDJ-JTQLQIEISA-N -1 1 376.421 -0.494 20 0 GBADMM Cc1oc(NC(=O)[C@@H](C)N2CCN(CC(N)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737550839 598470613 /nfs/dbraw/zinc/47/06/13/598470613.db2.gz CQASGLHAMZBIDJ-SNVBAGLBSA-N -1 1 376.421 -0.494 20 0 GBADMM Cc1oc(NC(=O)COC(=O)CN2CCC(=O)NC2=O)c(-c2nn[n-]n2)c1C ZINC000737551198 598848373 /nfs/dbraw/zinc/84/83/73/598848373.db2.gz GRKOHWYGWVOGOK-UHFFFAOYSA-N -1 1 391.344 -0.500 20 0 GBADMM Cc1oc(NC(=O)CN2CCC(S(N)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737551467 598567893 /nfs/dbraw/zinc/56/78/93/598567893.db2.gz HLININAIUJQNFJ-UHFFFAOYSA-N -1 1 383.434 -0.232 20 0 GBADMM Cc1oc(NC(=O)COC(=O)CN2CC(=O)NC2=O)c(-c2nn[n-]n2)c1C ZINC000737552363 598723674 /nfs/dbraw/zinc/72/36/74/598723674.db2.gz NRQUETBJJFNLKT-UHFFFAOYSA-N -1 1 377.317 -0.890 20 0 GBADMM Cc1oc(NC(=O)COC(=O)C2CC(=O)NC(=O)C2)c(-c2nn[n-]n2)c1C ZINC000737552410 598371543 /nfs/dbraw/zinc/37/15/43/598371543.db2.gz PHVZUWTWDHVFOI-UHFFFAOYSA-N -1 1 376.329 -0.389 20 0 GBADMM CNS(=O)(=O)[C@@H]1CCCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000737552514 600642967 /nfs/dbraw/zinc/64/29/67/600642967.db2.gz LOPYOSSZAXBQHF-JYVXZMADSA-N -1 1 377.488 -0.109 20 0 GBADMM CNS(=O)(=O)[C@H]1CCCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000737552518 600642731 /nfs/dbraw/zinc/64/27/31/600642731.db2.gz LOPYOSSZAXBQHF-LFTLCWSBSA-N -1 1 377.488 -0.109 20 0 GBADMM CNS(=O)(=O)C1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1 ZINC000737552523 600325816 /nfs/dbraw/zinc/32/58/16/600325816.db2.gz LSMVPIMDTLKIAW-LCYFTJDESA-N -1 1 377.488 -0.109 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000737590102 606876113 /nfs/dbraw/zinc/87/61/13/606876113.db2.gz HMAZHQZKDHWKKA-SECBINFHSA-N -1 1 392.420 -0.633 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000737590176 607235332 /nfs/dbraw/zinc/23/53/32/607235332.db2.gz HMAZHQZKDHWKKA-VIFPVBQESA-N -1 1 392.420 -0.633 20 0 GBADMM Cn1c(=O)c2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cnc2n(C)c1=O ZINC000737592076 598985111 /nfs/dbraw/zinc/98/51/11/598985111.db2.gz WVWBLLBBMWSFND-UHFFFAOYSA-N -1 1 379.340 -0.540 20 0 GBADMM Cn1c(=O)c2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cnc2n(C)c1=O ZINC000737592076 598985109 /nfs/dbraw/zinc/98/51/09/598985109.db2.gz WVWBLLBBMWSFND-UHFFFAOYSA-N -1 1 379.340 -0.540 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccc(C(N)=O)cc2)C2CC2)n(C)c1=O ZINC000737593168 598814997 /nfs/dbraw/zinc/81/49/97/598814997.db2.gz QTVQVXLIIHYQBQ-UHFFFAOYSA-N -1 1 396.411 -0.468 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(C(=O)OC(C)(C)C)CC2)n(C)c1=O ZINC000737594353 598458051 /nfs/dbraw/zinc/45/80/51/598458051.db2.gz YMTDJEZSWNFQDK-UHFFFAOYSA-N -1 1 391.432 -0.178 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCOCC2CCOCC2)n(C)c1=O ZINC000737594775 598973634 /nfs/dbraw/zinc/97/36/34/598973634.db2.gz ABGYSGBSHABQRB-UHFFFAOYSA-N -1 1 379.421 -0.491 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCC2N=NC(=S)N2C2CC2)n(C)c1=O ZINC000737594816 598628948 /nfs/dbraw/zinc/62/89/48/598628948.db2.gz AWBLRLUPGKYWNT-UHFFFAOYSA-N -1 1 390.433 -0.866 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](c3nnc4n3CCC4)C2)n(C)c1=O ZINC000737594817 598388225 /nfs/dbraw/zinc/38/82/25/598388225.db2.gz AWSDZISNNDMKTH-JTQLQIEISA-N -1 1 398.431 -0.814 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3nnc4n3CCC4)C2)n(C)c1=O ZINC000737594818 598388605 /nfs/dbraw/zinc/38/86/05/598388605.db2.gz AWSDZISNNDMKTH-SNVBAGLBSA-N -1 1 398.431 -0.814 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCNC(=O)OC(C)(C)C)n(C)c1=O ZINC000737594821 598756334 /nfs/dbraw/zinc/75/63/34/598756334.db2.gz AZGFFADWLKUMNL-UHFFFAOYSA-N -1 1 380.409 -0.409 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC2CN(C(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000737594874 599349537 /nfs/dbraw/zinc/34/95/37/599349537.db2.gz CUSPPPLJYPPBNC-UHFFFAOYSA-N -1 1 378.393 -0.705 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)Cc2c[nH]c3ccccc23)n(C)c1=O ZINC000737595052 599118349 /nfs/dbraw/zinc/11/83/49/599118349.db2.gz DKSAQPSFTODONK-LLVKDONJSA-N -1 1 396.411 -0.239 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)Cc2c[nH]c3ccccc23)n(C)c1=O ZINC000737595053 599117763 /nfs/dbraw/zinc/11/77/63/599117763.db2.gz DKSAQPSFTODONK-NSHDSACASA-N -1 1 396.411 -0.239 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccccc3F)C2)n(C)c1=O ZINC000737595108 598457968 /nfs/dbraw/zinc/45/79/68/598457968.db2.gz GJAOAGMSJCQWLR-GFCCVEGCSA-N -1 1 387.375 -0.019 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](c3ccccc3F)C2)n(C)c1=O ZINC000737595109 598458226 /nfs/dbraw/zinc/45/82/26/598458226.db2.gz GJAOAGMSJCQWLR-LBPRGKRZSA-N -1 1 387.375 -0.019 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCN2C(=O)Cc3ccccc32)n(C)c1=O ZINC000737595129 598248770 /nfs/dbraw/zinc/24/87/70/598248770.db2.gz GZRLLZULULBZRB-UHFFFAOYSA-N -1 1 382.384 -0.735 20 0 GBADMM Cn1c(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nc2ccc(F)cc21 ZINC000737595136 598933277 /nfs/dbraw/zinc/93/32/77/598933277.db2.gz HICUFEQAYXCCRY-UHFFFAOYSA-N -1 1 399.390 -0.056 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3cccc(F)c3)C2)n(C)c1=O ZINC000737595626 598458414 /nfs/dbraw/zinc/45/84/14/598458414.db2.gz JFLBWFWUQUKYOK-GFCCVEGCSA-N -1 1 387.375 -0.019 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](c3cccc(F)c3)C2)n(C)c1=O ZINC000737595630 598458011 /nfs/dbraw/zinc/45/80/11/598458011.db2.gz JFLBWFWUQUKYOK-LBPRGKRZSA-N -1 1 387.375 -0.019 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCNC(=O)CC2CCCCC2)n(C)c1=O ZINC000737595644 598245712 /nfs/dbraw/zinc/24/57/12/598245712.db2.gz JJGIFICJABFUJQ-UHFFFAOYSA-N -1 1 390.448 -0.237 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@](C)(O)c2ccc(F)cc2F)n(C)c1=O ZINC000737595648 598915915 /nfs/dbraw/zinc/91/59/15/598915915.db2.gz JKVQUUSDLVFESK-INIZCTEOSA-N -1 1 393.354 -0.138 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@](C)(O)c2ccc(F)cc2F)n(C)c1=O ZINC000737595650 598916182 /nfs/dbraw/zinc/91/61/82/598916182.db2.gz JKVQUUSDLVFESK-MRXNPFEDSA-N -1 1 393.354 -0.138 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)c2c(F)cccc2F)n(C)c1=O ZINC000737595654 598975586 /nfs/dbraw/zinc/97/55/86/598975586.db2.gz JLUGDNIEMDUWHY-SECBINFHSA-N -1 1 379.327 -0.312 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)c2c(F)cccc2F)n(C)c1=O ZINC000737595657 598975766 /nfs/dbraw/zinc/97/57/66/598975766.db2.gz JLUGDNIEMDUWHY-VIFPVBQESA-N -1 1 379.327 -0.312 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(C[S@@](C)=O)c2)n(C)c1=O ZINC000737595795 599064530 /nfs/dbraw/zinc/06/45/30/599064530.db2.gz LDGAYAFKGWAQTF-AREMUKBSSA-N -1 1 375.414 -0.114 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(C[S@](C)=O)c2)n(C)c1=O ZINC000737595801 599064525 /nfs/dbraw/zinc/06/45/25/599064525.db2.gz LDGAYAFKGWAQTF-SANMLTNESA-N -1 1 375.414 -0.114 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2nccn2CC(F)(F)F)n(C)c1=O ZINC000737595810 598523302 /nfs/dbraw/zinc/52/33/02/598523302.db2.gz LIYJLKMAQJWUNX-UHFFFAOYSA-N -1 1 385.310 -0.365 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCN(c3ccccc3)C2=O)n(C)c1=O ZINC000737595898 598916091 /nfs/dbraw/zinc/91/60/91/598916091.db2.gz LZRHPYIFCNOPTP-GFCCVEGCSA-N -1 1 396.411 -0.128 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCN(c3ccccc3)C2=O)n(C)c1=O ZINC000737595904 598916135 /nfs/dbraw/zinc/91/61/35/598916135.db2.gz LZRHPYIFCNOPTP-LBPRGKRZSA-N -1 1 396.411 -0.128 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCN(c3ccccc3)C2=O)n(C)c1=O ZINC000737596302 598594064 /nfs/dbraw/zinc/59/40/64/598594064.db2.gz MBLVHTCRGPDQHG-LLVKDONJSA-N -1 1 382.384 -0.519 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCN(c3ccccc3)C2=O)n(C)c1=O ZINC000737596306 598593966 /nfs/dbraw/zinc/59/39/66/598593966.db2.gz MBLVHTCRGPDQHG-NSHDSACASA-N -1 1 382.384 -0.519 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC[S@@](=O)Cc2ccccc2)n(C)c1=O ZINC000737596325 598628886 /nfs/dbraw/zinc/62/88/86/598628886.db2.gz MGKOWRJGJQBWJF-HHHXNRCGSA-N -1 1 389.441 -0.375 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC[S@](=O)Cc2ccccc2)n(C)c1=O ZINC000737596327 598629012 /nfs/dbraw/zinc/62/90/12/598629012.db2.gz MGKOWRJGJQBWJF-MHZLTWQESA-N -1 1 389.441 -0.375 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@]2(O)CCCc3ccccc32)n(C)c1=O ZINC000737596339 598557367 /nfs/dbraw/zinc/55/73/67/598557367.db2.gz MJPYKYYHYGWSCW-GOSISDBHSA-N -1 1 383.412 -0.100 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@]2(O)CCCc3ccccc32)n(C)c1=O ZINC000737596342 598557057 /nfs/dbraw/zinc/55/70/57/598557057.db2.gz MJPYKYYHYGWSCW-SFHVURJKSA-N -1 1 383.412 -0.100 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)n(C)c1=O ZINC000737596415 598977041 /nfs/dbraw/zinc/97/70/41/598977041.db2.gz NJKIWGHNILHTEQ-BDAKNGLRSA-N -1 1 383.434 -0.968 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n(C)c1=O ZINC000737596416 598977065 /nfs/dbraw/zinc/97/70/65/598977065.db2.gz NJKIWGHNILHTEQ-DTWKUNHWSA-N -1 1 383.434 -0.968 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n(C)c1=O ZINC000737596417 598976749 /nfs/dbraw/zinc/97/67/49/598976749.db2.gz NJKIWGHNILHTEQ-IUCAKERBSA-N -1 1 383.434 -0.968 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n(C)c1=O ZINC000737596418 598976850 /nfs/dbraw/zinc/97/68/50/598976850.db2.gz NJKIWGHNILHTEQ-RKDXNWHRSA-N -1 1 383.434 -0.968 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(=O)N2CCc3ccccc32)n(C)c1=O ZINC000737596912 598299013 /nfs/dbraw/zinc/29/90/13/598299013.db2.gz OQSZVPSMTUFBQN-UHFFFAOYSA-N -1 1 382.384 -0.735 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](C(=O)N3CCCC3)C2)n(C)c1=O ZINC000737597167 598682018 /nfs/dbraw/zinc/68/20/18/598682018.db2.gz QUIPWXOWRXILAX-LLVKDONJSA-N -1 1 388.432 -0.897 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](C(=O)N3CCCC3)C2)n(C)c1=O ZINC000737597169 598682222 /nfs/dbraw/zinc/68/22/22/598682222.db2.gz QUIPWXOWRXILAX-NSHDSACASA-N -1 1 388.432 -0.897 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2n[nH]cc2Br)n(C)c1=O ZINC000737597185 598592398 /nfs/dbraw/zinc/59/23/98/598592398.db2.gz RHAGSAXPEYJGHN-UHFFFAOYSA-N -1 1 382.182 -0.638 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n(C)c1=O ZINC000737597560 598363858 /nfs/dbraw/zinc/36/38/58/598363858.db2.gz SHTBEEDEGYIILI-JTQLQIEISA-N -1 1 390.448 -0.605 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n(C)c1=O ZINC000737597563 598364116 /nfs/dbraw/zinc/36/41/16/598364116.db2.gz SHTBEEDEGYIILI-SNVBAGLBSA-N -1 1 390.448 -0.605 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)c2c(F)cccc2F)n(C)c1=O ZINC000737597571 599170028 /nfs/dbraw/zinc/17/00/28/599170028.db2.gz SIIOBGNNIQIKQZ-SECBINFHSA-N -1 1 379.327 -0.312 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)c2c(F)cccc2F)n(C)c1=O ZINC000737597574 599170044 /nfs/dbraw/zinc/17/00/44/599170044.db2.gz SIIOBGNNIQIKQZ-VIFPVBQESA-N -1 1 379.327 -0.312 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(c3nncn3C3CC3)CC2)n(C)c1=O ZINC000737597628 599351437 /nfs/dbraw/zinc/35/14/37/599351437.db2.gz TXXJJTHADZNIKV-UHFFFAOYSA-N -1 1 398.431 -0.426 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(=O)N2CCc3ccccc3C2)n(C)c1=O ZINC000737597690 598353695 /nfs/dbraw/zinc/35/36/95/598353695.db2.gz UGRUTOXRHREBKJ-UHFFFAOYSA-N -1 1 396.411 -0.739 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccn(Cc3ccccn3)n2)n(C)c1=O ZINC000737597718 598521629 /nfs/dbraw/zinc/52/16/29/598521629.db2.gz UJNXPPDFFVMCKN-UHFFFAOYSA-N -1 1 380.372 -0.353 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cccc(-n3cncn3)c2)n(C)c1=O ZINC000737597823 599269545 /nfs/dbraw/zinc/26/95/45/599269545.db2.gz VRRMQCJMWHCRKA-UHFFFAOYSA-N -1 1 380.372 -0.543 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](N3CCCCC3=O)C2)n(C)c1=O ZINC000737597824 598773653 /nfs/dbraw/zinc/77/36/53/598773653.db2.gz VTHIREPUGLRSNU-LLVKDONJSA-N -1 1 388.432 -0.755 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](N3CCCCC3=O)C2)n(C)c1=O ZINC000737597981 598773191 /nfs/dbraw/zinc/77/31/91/598773191.db2.gz VTHIREPUGLRSNU-NSHDSACASA-N -1 1 388.432 -0.755 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000737598038 598676835 /nfs/dbraw/zinc/67/68/35/598676835.db2.gz WIAJATSTRNVLQJ-SECBINFHSA-N -1 1 392.420 -0.315 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000737598041 598677191 /nfs/dbraw/zinc/67/71/91/598677191.db2.gz WIAJATSTRNVLQJ-VIFPVBQESA-N -1 1 392.420 -0.315 20 0 GBADMM Cn1c(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nc2cc(F)ccc21 ZINC000737598118 599351080 /nfs/dbraw/zinc/35/10/80/599351080.db2.gz YUNFMLBUALTDKZ-UHFFFAOYSA-N -1 1 385.363 -0.098 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(Nc3cccnn3)CC2)n(C)c1=O ZINC000737598141 598335099 /nfs/dbraw/zinc/33/50/99/598335099.db2.gz ZGZNWFYUIKIDNV-UHFFFAOYSA-N -1 1 384.404 -0.865 20 0 GBADMM Cn1cc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000737603237 598369764 /nfs/dbraw/zinc/36/97/64/598369764.db2.gz WNKWDMCEWMACGV-UHFFFAOYSA-N -1 1 389.445 -0.498 20 0 GBADMM Cn1cc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000737603237 598369762 /nfs/dbraw/zinc/36/97/62/598369762.db2.gz WNKWDMCEWMACGV-UHFFFAOYSA-N -1 1 389.445 -0.498 20 0 GBADMM COC(=O)CN(CC(=O)[O-])C(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000737604108 600492585 /nfs/dbraw/zinc/49/25/85/600492585.db2.gz ADBADLNWBRYBLO-UHFFFAOYSA-N -1 1 375.341 -0.424 20 0 GBADMM COC(=O)CN(CC(=O)[O-])C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000737605526 600170532 /nfs/dbraw/zinc/17/05/32/600170532.db2.gz NREXJADQCUIBAL-UHFFFAOYSA-N -1 1 375.337 -0.656 20 0 GBADMM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cn1 ZINC000737609098 599275075 /nfs/dbraw/zinc/27/50/75/599275075.db2.gz BRUWYCCSXLGEOP-GFCCVEGCSA-N -1 1 389.401 -0.921 20 0 GBADMM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cn1 ZINC000737609098 599275072 /nfs/dbraw/zinc/27/50/72/599275072.db2.gz BRUWYCCSXLGEOP-GFCCVEGCSA-N -1 1 389.401 -0.921 20 0 GBADMM Cn1cc(N2CC[C@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cn1 ZINC000737609100 599274937 /nfs/dbraw/zinc/27/49/37/599274937.db2.gz BRUWYCCSXLGEOP-LBPRGKRZSA-N -1 1 389.401 -0.921 20 0 GBADMM Cn1cc(N2CC[C@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cn1 ZINC000737609100 599274936 /nfs/dbraw/zinc/27/49/36/599274936.db2.gz BRUWYCCSXLGEOP-LBPRGKRZSA-N -1 1 389.401 -0.921 20 0 GBADMM Cn1cc(S(=O)(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC000737612393 599047440 /nfs/dbraw/zinc/04/74/40/599047440.db2.gz YSQABTYCWGHZQE-UHFFFAOYSA-N -1 1 390.433 -0.345 20 0 GBADMM Cn1cc(S(=O)(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC000737612393 599047437 /nfs/dbraw/zinc/04/74/37/599047437.db2.gz YSQABTYCWGHZQE-UHFFFAOYSA-N -1 1 390.433 -0.345 20 0 GBADMM Cn1ccnc1CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737614930 598370142 /nfs/dbraw/zinc/37/01/42/598370142.db2.gz CJNKZNKEXVOSSD-UHFFFAOYSA-N -1 1 389.445 -0.498 20 0 GBADMM Cn1ccnc1CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737614930 598370140 /nfs/dbraw/zinc/37/01/40/598370140.db2.gz CJNKZNKEXVOSSD-UHFFFAOYSA-N -1 1 389.445 -0.498 20 0 GBADMM Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737618768 598264432 /nfs/dbraw/zinc/26/44/32/598264432.db2.gz MUQRNXMQWFQDEQ-JTQLQIEISA-N -1 1 375.418 -0.042 20 0 GBADMM Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737618768 598264430 /nfs/dbraw/zinc/26/44/30/598264430.db2.gz MUQRNXMQWFQDEQ-JTQLQIEISA-N -1 1 375.418 -0.042 20 0 GBADMM Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737618769 598264357 /nfs/dbraw/zinc/26/43/57/598264357.db2.gz MUQRNXMQWFQDEQ-SNVBAGLBSA-N -1 1 375.418 -0.042 20 0 GBADMM Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737618769 598264356 /nfs/dbraw/zinc/26/43/56/598264356.db2.gz MUQRNXMQWFQDEQ-SNVBAGLBSA-N -1 1 375.418 -0.042 20 0 GBADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)[nH]1 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380.368 -0.593 20 0 GBADMM NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737751930 599024001 /nfs/dbraw/zinc/02/40/01/599024001.db2.gz BKDUBFGHKFHUGD-UHFFFAOYSA-N -1 1 380.368 -0.593 20 0 GBADMM NC(=O)CNC(=S)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737752048 598417374 /nfs/dbraw/zinc/41/73/74/598417374.db2.gz DKTCPNWIYSUXER-UHFFFAOYSA-N -1 1 377.434 -0.786 20 0 GBADMM NC(=O)CSCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737752055 599303714 /nfs/dbraw/zinc/30/37/14/599303714.db2.gz DPKWPEXJXIQFAM-UHFFFAOYSA-N -1 1 392.445 -0.401 20 0 GBADMM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737753189 598877204 /nfs/dbraw/zinc/87/72/04/598877204.db2.gz NISZEDSPWMMLCN-UHFFFAOYSA-N -1 1 376.354 -0.107 20 0 GBADMM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737753189 598877203 /nfs/dbraw/zinc/87/72/03/598877203.db2.gz NISZEDSPWMMLCN-UHFFFAOYSA-N -1 1 376.354 -0.107 20 0 GBADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1 ZINC000737753641 599030031 /nfs/dbraw/zinc/03/00/31/599030031.db2.gz ORLHOQZZVBGFSY-UHFFFAOYSA-N -1 1 391.369 -0.524 20 0 GBADMM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737755625 598262635 /nfs/dbraw/zinc/26/26/35/598262635.db2.gz NNVHYBOHKZYRON-AWEZNQCLSA-N -1 1 385.409 -0.137 20 0 GBADMM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737755625 598262633 /nfs/dbraw/zinc/26/26/33/598262633.db2.gz NNVHYBOHKZYRON-AWEZNQCLSA-N -1 1 385.409 -0.137 20 0 GBADMM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)nc1 ZINC000737759272 599107060 /nfs/dbraw/zinc/10/70/60/599107060.db2.gz JQNCBYXIBKFKMJ-UHFFFAOYSA-N -1 1 379.384 -0.282 20 0 GBADMM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC000737759272 599107057 /nfs/dbraw/zinc/10/70/57/599107057.db2.gz JQNCBYXIBKFKMJ-UHFFFAOYSA-N -1 1 379.384 -0.282 20 0 GBADMM NS(=O)(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737764587 598965524 /nfs/dbraw/zinc/96/55/24/598965524.db2.gz JMWBJAIOPBXYQS-JTQLQIEISA-N -1 1 389.445 -0.181 20 0 GBADMM NS(=O)(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737764587 598965522 /nfs/dbraw/zinc/96/55/22/598965522.db2.gz JMWBJAIOPBXYQS-JTQLQIEISA-N -1 1 389.445 -0.181 20 0 GBADMM NS(=O)(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737764591 598965686 /nfs/dbraw/zinc/96/56/86/598965686.db2.gz JMWBJAIOPBXYQS-SNVBAGLBSA-N -1 1 389.445 -0.181 20 0 GBADMM NS(=O)(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737764591 598965685 /nfs/dbraw/zinc/96/56/85/598965685.db2.gz JMWBJAIOPBXYQS-SNVBAGLBSA-N -1 1 389.445 -0.181 20 0 GBADMM NS(=O)(=O)c1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737764595 599139811 /nfs/dbraw/zinc/13/98/11/599139811.db2.gz JPOWEDOHSOSFGE-UHFFFAOYSA-N -1 1 388.365 -0.051 20 0 GBADMM NS(=O)(=O)c1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737764595 599139810 /nfs/dbraw/zinc/13/98/10/599139810.db2.gz JPOWEDOHSOSFGE-UHFFFAOYSA-N -1 1 388.365 -0.051 20 0 GBADMM NC(=O)c1cccnc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 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-1 1 395.426 -0.612 20 0 GBADMM NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737769479 598259259 /nfs/dbraw/zinc/25/92/59/598259259.db2.gz LDDYBCHLPDEUNQ-UHFFFAOYSA-N -1 1 395.426 -0.612 20 0 GBADMM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737769537 599110084 /nfs/dbraw/zinc/11/00/84/599110084.db2.gz MSXARTUBHKNZEP-UHFFFAOYSA-N -1 1 377.361 -0.022 20 0 GBADMM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737769537 599110083 /nfs/dbraw/zinc/11/00/83/599110083.db2.gz MSXARTUBHKNZEP-UHFFFAOYSA-N -1 1 377.361 -0.022 20 0 GBADMM NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737770449 598264063 /nfs/dbraw/zinc/26/40/63/598264063.db2.gz XAJZZTMOSJRWFN-UHFFFAOYSA-N -1 1 395.426 -0.612 20 0 GBADMM NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737770449 598264062 /nfs/dbraw/zinc/26/40/62/598264062.db2.gz XAJZZTMOSJRWFN-UHFFFAOYSA-N -1 1 395.426 -0.612 20 0 GBADMM NS(=O)(=O)c1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737770469 598345296 /nfs/dbraw/zinc/34/52/96/598345296.db2.gz XBJDRJOCJQEXHY-UHFFFAOYSA-N -1 1 387.429 -0.369 20 0 GBADMM NS(=O)(=O)c1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737770469 598345294 /nfs/dbraw/zinc/34/52/94/598345294.db2.gz XBJDRJOCJQEXHY-UHFFFAOYSA-N -1 1 387.429 -0.369 20 0 GBADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc3n[nH]cc3c2)c1-c1nn[n-]n1 ZINC000737770731 598933649 /nfs/dbraw/zinc/93/36/49/598933649.db2.gz XRLQBRQIDNVONR-UHFFFAOYSA-N -1 1 395.387 -0.264 20 0 GBADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc3n[nH]cc3c2)c1-c1nnn[n-]1 ZINC000737770731 598933647 /nfs/dbraw/zinc/93/36/47/598933647.db2.gz XRLQBRQIDNVONR-UHFFFAOYSA-N -1 1 395.387 -0.264 20 0 GBADMM Nc1n[nH]c(CCCNC(=O)Nc2cccnc2-n2cncn2)c1-c1nn[n-]n1 ZINC000737776583 598543779 /nfs/dbraw/zinc/54/37/79/598543779.db2.gz QVLMHXCGHKLJIN-UHFFFAOYSA-N -1 1 395.391 -0.098 20 0 GBADMM Nc1n[nH]c(CCCNC(=O)Nc2cccnc2-n2cncn2)c1-c1nnn[n-]1 ZINC000737776583 598543778 /nfs/dbraw/zinc/54/37/78/598543778.db2.gz QVLMHXCGHKLJIN-UHFFFAOYSA-N -1 1 395.391 -0.098 20 0 GBADMM O=C(C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)N1CCCC1 ZINC000737781047 599024162 /nfs/dbraw/zinc/02/41/62/599024162.db2.gz HLILKGCYDNPAHN-UHFFFAOYSA-N -1 1 384.400 -0.832 20 0 GBADMM O=C(C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)N1CCCC1 ZINC000737781047 599024160 /nfs/dbraw/zinc/02/41/60/599024160.db2.gz HLILKGCYDNPAHN-UHFFFAOYSA-N -1 1 384.400 -0.832 20 0 GBADMM O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737781615 598262210 /nfs/dbraw/zinc/26/22/10/598262210.db2.gz KEMWEAKHJACPGI-UHFFFAOYSA-N -1 1 377.430 -0.059 20 0 GBADMM O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737781615 598262209 /nfs/dbraw/zinc/26/22/09/598262209.db2.gz KEMWEAKHJACPGI-UHFFFAOYSA-N -1 1 377.430 -0.059 20 0 GBADMM O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737790461 598261241 /nfs/dbraw/zinc/26/12/41/598261241.db2.gz FSSXSXKMUFVREJ-CYBMUJFWSA-N -1 1 393.429 -0.726 20 0 GBADMM O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737790461 598261239 /nfs/dbraw/zinc/26/12/39/598261239.db2.gz FSSXSXKMUFVREJ-CYBMUJFWSA-N -1 1 393.429 -0.726 20 0 GBADMM O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737790462 598261259 /nfs/dbraw/zinc/26/12/59/598261259.db2.gz FSSXSXKMUFVREJ-ZDUSSCGKSA-N -1 1 393.429 -0.726 20 0 GBADMM O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737790462 598261258 /nfs/dbraw/zinc/26/12/58/598261258.db2.gz FSSXSXKMUFVREJ-ZDUSSCGKSA-N -1 1 393.429 -0.726 20 0 GBADMM O=C([C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCC1 ZINC000737792812 598270946 /nfs/dbraw/zinc/27/09/46/598270946.db2.gz RZKFMOBZAZJPPU-GFCCVEGCSA-N -1 1 395.470 -0.052 20 0 GBADMM O=C([C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCC1 ZINC000737792812 598270945 /nfs/dbraw/zinc/27/09/45/598270945.db2.gz RZKFMOBZAZJPPU-GFCCVEGCSA-N -1 1 395.470 -0.052 20 0 GBADMM O=C([C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCC1 ZINC000737792813 598270491 /nfs/dbraw/zinc/27/04/91/598270491.db2.gz RZKFMOBZAZJPPU-LBPRGKRZSA-N -1 1 395.470 -0.052 20 0 GBADMM O=C([C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCC1 ZINC000737792813 598270489 /nfs/dbraw/zinc/27/04/89/598270489.db2.gz RZKFMOBZAZJPPU-LBPRGKRZSA-N -1 1 395.470 -0.052 20 0 GBADMM O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737793068 598690771 /nfs/dbraw/zinc/69/07/71/598690771.db2.gz VZIXAAUILRVPQO-KBPBESRZSA-N -1 1 396.415 -0.051 20 0 GBADMM O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737793070 598690921 /nfs/dbraw/zinc/69/09/21/598690921.db2.gz VZIXAAUILRVPQO-KGLIPLIRSA-N -1 1 396.415 -0.051 20 0 GBADMM O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737793072 598690632 /nfs/dbraw/zinc/69/06/32/598690632.db2.gz VZIXAAUILRVPQO-UONOGXRCSA-N -1 1 396.415 -0.051 20 0 GBADMM O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737793074 598690716 /nfs/dbraw/zinc/69/07/16/598690716.db2.gz VZIXAAUILRVPQO-ZIAGYGMSSA-N -1 1 396.415 -0.051 20 0 GBADMM O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737793096 599401220 /nfs/dbraw/zinc/40/12/20/599401220.db2.gz URCXBOBTVNXXOZ-LLVKDONJSA-N -1 1 377.430 -0.655 20 0 GBADMM O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737793096 599401218 /nfs/dbraw/zinc/40/12/18/599401218.db2.gz URCXBOBTVNXXOZ-LLVKDONJSA-N -1 1 377.430 -0.655 20 0 GBADMM O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737793099 599401184 /nfs/dbraw/zinc/40/11/84/599401184.db2.gz URCXBOBTVNXXOZ-NSHDSACASA-N -1 1 377.430 -0.655 20 0 GBADMM O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737793099 599401182 /nfs/dbraw/zinc/40/11/82/599401182.db2.gz URCXBOBTVNXXOZ-NSHDSACASA-N -1 1 377.430 -0.655 20 0 GBADMM COCCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC000737813339 600898117 /nfs/dbraw/zinc/89/81/17/600898117.db2.gz AEGMHKCCNBHIRA-UHFFFAOYSA-N -1 1 398.397 -0.150 20 0 GBADMM O=C(CCNc1nccnc1-c1nn[n-]n1)N1CCN(c2ncccn2)CC1 ZINC000737847649 598353623 /nfs/dbraw/zinc/35/36/23/598353623.db2.gz KLPNKWMNKMDLBQ-UHFFFAOYSA-N -1 1 381.404 -0.403 20 0 GBADMM O=C(CCNc1nccnc1-c1nnn[n-]1)N1CCN(c2ncccn2)CC1 ZINC000737847649 598353622 /nfs/dbraw/zinc/35/36/22/598353622.db2.gz KLPNKWMNKMDLBQ-UHFFFAOYSA-N -1 1 381.404 -0.403 20 0 GBADMM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NCc1cccnc1 ZINC000737848903 598269394 /nfs/dbraw/zinc/26/93/94/598269394.db2.gz VDGWAKLYPQAVMM-UHFFFAOYSA-N -1 1 388.413 -0.359 20 0 GBADMM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NCc1cccnc1 ZINC000737848903 598269393 /nfs/dbraw/zinc/26/93/93/598269393.db2.gz VDGWAKLYPQAVMM-UHFFFAOYSA-N -1 1 388.413 -0.359 20 0 GBADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737863514 598530466 /nfs/dbraw/zinc/53/04/66/598530466.db2.gz RMMAORQQHWADBI-UHFFFAOYSA-N -1 1 396.411 -0.544 20 0 GBADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NCCc1ccccc1 ZINC000737895192 598270585 /nfs/dbraw/zinc/27/05/85/598270585.db2.gz NJDFTRTWQIAFOK-UHFFFAOYSA-N -1 1 387.425 -0.101 20 0 GBADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NCCc1ccccc1 ZINC000737895192 598270583 /nfs/dbraw/zinc/27/05/83/598270583.db2.gz NJDFTRTWQIAFOK-UHFFFAOYSA-N -1 1 387.425 -0.101 20 0 GBADMM O=C(COC(=O)[C@H]1COCCO1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737906110 598408724 /nfs/dbraw/zinc/40/87/24/598408724.db2.gz CBNGJCVIIIZYAL-CYBMUJFWSA-N -1 1 399.367 -0.051 20 0 GBADMM O=C(COC(=O)[C@H]1COCCO1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737906110 598408722 /nfs/dbraw/zinc/40/87/22/598408722.db2.gz CBNGJCVIIIZYAL-CYBMUJFWSA-N -1 1 399.367 -0.051 20 0 GBADMM O=C(COC(=O)[C@@H]1COCCO1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737906112 598408435 /nfs/dbraw/zinc/40/84/35/598408435.db2.gz CBNGJCVIIIZYAL-ZDUSSCGKSA-N -1 1 399.367 -0.051 20 0 GBADMM O=C(COC(=O)[C@@H]1COCCO1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737906112 598408434 /nfs/dbraw/zinc/40/84/34/598408434.db2.gz CBNGJCVIIIZYAL-ZDUSSCGKSA-N -1 1 399.367 -0.051 20 0 GBADMM O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737906490 598725385 /nfs/dbraw/zinc/72/53/85/598725385.db2.gz FMKWWDZDOGUUGJ-LLVKDONJSA-N -1 1 397.355 -0.785 20 0 GBADMM O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737906490 598725384 /nfs/dbraw/zinc/72/53/84/598725384.db2.gz FMKWWDZDOGUUGJ-LLVKDONJSA-N -1 1 397.355 -0.785 20 0 GBADMM O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737906491 598725358 /nfs/dbraw/zinc/72/53/58/598725358.db2.gz FMKWWDZDOGUUGJ-NSHDSACASA-N -1 1 397.355 -0.785 20 0 GBADMM O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737906491 598725357 /nfs/dbraw/zinc/72/53/57/598725357.db2.gz FMKWWDZDOGUUGJ-NSHDSACASA-N -1 1 397.355 -0.785 20 0 GBADMM O=C(Cn1cc(NCc2cnc3c(-c4nn[n-]n4)cnn3c2)cn1)NC1CC1 ZINC000737987079 598467116 /nfs/dbraw/zinc/46/71/16/598467116.db2.gz QGKKGXHSTCATNN-UHFFFAOYSA-N -1 1 379.388 -0.003 20 0 GBADMM O=C(Cn1cc(NCc2cnc3c(-c4nnn[n-]4)cnn3c2)cn1)NC1CC1 ZINC000737987079 598467115 /nfs/dbraw/zinc/46/71/15/598467115.db2.gz QGKKGXHSTCATNN-UHFFFAOYSA-N -1 1 379.388 -0.003 20 0 GBADMM O=C(Cn1cnnn1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737988474 598958839 /nfs/dbraw/zinc/95/88/39/598958839.db2.gz JDWYNSKKZFTEDY-UHFFFAOYSA-N -1 1 392.387 -0.855 20 0 GBADMM O=C(Cn1cnnn1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737988474 598958837 /nfs/dbraw/zinc/95/88/37/598958837.db2.gz JDWYNSKKZFTEDY-UHFFFAOYSA-N -1 1 392.387 -0.855 20 0 GBADMM O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737991800 598262481 /nfs/dbraw/zinc/26/24/81/598262481.db2.gz GGZPXXAJQDWXLW-UHFFFAOYSA-N -1 1 392.445 -0.216 20 0 GBADMM O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737991800 598262479 /nfs/dbraw/zinc/26/24/79/598262479.db2.gz GGZPXXAJQDWXLW-UHFFFAOYSA-N -1 1 392.445 -0.216 20 0 GBADMM O=C(NC1CC1)C(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000738018890 598960863 /nfs/dbraw/zinc/96/08/63/598960863.db2.gz CRHKOXIDICQJSH-UHFFFAOYSA-N -1 1 393.411 -0.263 20 0 GBADMM O=C(NC1CC1)C(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000738018890 598960861 /nfs/dbraw/zinc/96/08/61/598960861.db2.gz CRHKOXIDICQJSH-UHFFFAOYSA-N -1 1 393.411 -0.263 20 0 GBADMM O=C(NC1CC1)C(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738022139 598575819 /nfs/dbraw/zinc/57/58/19/598575819.db2.gz RSOOAUPVUVWWIE-UHFFFAOYSA-N -1 1 376.808 -0.158 20 0 GBADMM O=C(NC1CC1)C(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738022139 598575817 /nfs/dbraw/zinc/57/58/17/598575817.db2.gz RSOOAUPVUVWWIE-UHFFFAOYSA-N -1 1 376.808 -0.158 20 0 GBADMM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000738028158 637612400 /nfs/dbraw/zinc/61/24/00/637612400.db2.gz AXGQLYASMLADBY-UHFFFAOYSA-N -1 1 391.471 -0.624 20 0 GBADMM O=C(NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC000738031270 598266410 /nfs/dbraw/zinc/26/64/10/598266410.db2.gz CGDZMKBFNWUEBP-UHFFFAOYSA-N -1 1 377.430 -0.059 20 0 GBADMM O=C(NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC000738031270 598266408 /nfs/dbraw/zinc/26/64/08/598266408.db2.gz CGDZMKBFNWUEBP-UHFFFAOYSA-N -1 1 377.430 -0.059 20 0 GBADMM O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738046390 598270651 /nfs/dbraw/zinc/27/06/51/598270651.db2.gz VNKBGMLZGRXNBL-GFCCVEGCSA-N -1 1 395.470 -0.149 20 0 GBADMM O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738046390 598270649 /nfs/dbraw/zinc/27/06/49/598270649.db2.gz VNKBGMLZGRXNBL-GFCCVEGCSA-N -1 1 395.470 -0.149 20 0 GBADMM O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738046392 598270852 /nfs/dbraw/zinc/27/08/52/598270852.db2.gz VNKBGMLZGRXNBL-LBPRGKRZSA-N -1 1 395.470 -0.149 20 0 GBADMM O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738046392 598270850 /nfs/dbraw/zinc/27/08/50/598270850.db2.gz VNKBGMLZGRXNBL-LBPRGKRZSA-N -1 1 395.470 -0.149 20 0 GBADMM COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(C)(C)C(=O)[O-])CC2)cc1 ZINC000738062185 599926973 /nfs/dbraw/zinc/92/69/73/599926973.db2.gz SRDMOXUQXUCDAZ-UHFFFAOYSA-N -1 1 399.469 -0.019 20 0 GBADMM COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc1C(=O)[O-] ZINC000738062243 600580314 /nfs/dbraw/zinc/58/03/14/600580314.db2.gz WABMKWXKKYRIJB-UHFFFAOYSA-N -1 1 385.442 -0.212 20 0 GBADMM O=C(NCCN1CCN(c2ncccn2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738074300 599024865 /nfs/dbraw/zinc/02/48/65/599024865.db2.gz CCVGERYYWSVHFE-UHFFFAOYSA-N -1 1 380.416 -0.396 20 0 GBADMM O=C(NCCN1CCN(c2ncccn2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738074300 599024863 /nfs/dbraw/zinc/02/48/63/599024863.db2.gz CCVGERYYWSVHFE-UHFFFAOYSA-N -1 1 380.416 -0.396 20 0 GBADMM O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085375 599005294 /nfs/dbraw/zinc/00/52/94/599005294.db2.gz GOQCISXIOWZINN-UHFFFAOYSA-N -1 1 383.459 -0.630 20 0 GBADMM O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085375 599005293 /nfs/dbraw/zinc/00/52/93/599005293.db2.gz GOQCISXIOWZINN-UHFFFAOYSA-N -1 1 383.459 -0.630 20 0 GBADMM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085406 599006490 /nfs/dbraw/zinc/00/64/90/599006490.db2.gz IHRQMORNGLECMV-GFCCVEGCSA-N -1 1 395.445 -0.520 20 0 GBADMM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085406 599006488 /nfs/dbraw/zinc/00/64/88/599006488.db2.gz IHRQMORNGLECMV-GFCCVEGCSA-N -1 1 395.445 -0.520 20 0 GBADMM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085407 599006605 /nfs/dbraw/zinc/00/66/05/599006605.db2.gz IHRQMORNGLECMV-LBPRGKRZSA-N -1 1 395.445 -0.520 20 0 GBADMM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085407 599006604 /nfs/dbraw/zinc/00/66/04/599006604.db2.gz IHRQMORNGLECMV-LBPRGKRZSA-N -1 1 395.445 -0.520 20 0 GBADMM O=C(NCCn1cncn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738095216 598362960 /nfs/dbraw/zinc/36/29/60/598362960.db2.gz RIMIEKJMHUKTJB-UHFFFAOYSA-N -1 1 399.419 -0.145 20 0 GBADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738122977 599514973 /nfs/dbraw/zinc/51/49/73/599514973.db2.gz NZVMDESAQRRJOZ-UHFFFAOYSA-N -1 1 380.275 -0.764 20 0 GBADMM CS(=O)(=O)c1ccc([C@@H](O)CN(CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000738175940 600316396 /nfs/dbraw/zinc/31/63/96/600316396.db2.gz SMDGZLDARIUCTF-INIZCTEOSA-N -1 1 386.470 -0.158 20 0 GBADMM CS(=O)(=O)c1ccc([C@H](O)CN(CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000738175949 600316423 /nfs/dbraw/zinc/31/64/23/600316423.db2.gz SMDGZLDARIUCTF-MRXNPFEDSA-N -1 1 386.470 -0.158 20 0 GBADMM O=C(Cn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1)N1CCOCC1 ZINC000738196090 599225920 /nfs/dbraw/zinc/22/59/20/599225920.db2.gz MOHQYXMQZHLVEC-UHFFFAOYSA-N -1 1 383.372 -0.431 20 0 GBADMM O=C(Cn1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1)N1CCOCC1 ZINC000738196090 599225918 /nfs/dbraw/zinc/22/59/18/599225918.db2.gz MOHQYXMQZHLVEC-UHFFFAOYSA-N -1 1 383.372 -0.431 20 0 GBADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1)N1CCOCC1 ZINC000738198384 599103739 /nfs/dbraw/zinc/10/37/39/599103739.db2.gz QJQFSNKPQGTRTA-UHFFFAOYSA-N -1 1 383.372 -0.431 20 0 GBADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1)N1CCOCC1 ZINC000738198384 599103737 /nfs/dbraw/zinc/10/37/37/599103737.db2.gz QJQFSNKPQGTRTA-UHFFFAOYSA-N -1 1 383.372 -0.431 20 0 GBADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)C2CC2)CC1 ZINC000738218499 599135022 /nfs/dbraw/zinc/13/50/22/599135022.db2.gz GZUUBZSWAPEEGJ-UHFFFAOYSA-N -1 1 385.384 -0.501 20 0 GBADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)C2CC2)CC1 ZINC000738218499 599135021 /nfs/dbraw/zinc/13/50/21/599135021.db2.gz GZUUBZSWAPEEGJ-UHFFFAOYSA-N -1 1 385.384 -0.501 20 0 GBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738260071 599389993 /nfs/dbraw/zinc/38/99/93/599389993.db2.gz YJNQYBIRLZONLH-UHFFFAOYSA-N -1 1 377.372 -0.338 20 0 GBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738260071 599389991 /nfs/dbraw/zinc/38/99/91/599389991.db2.gz YJNQYBIRLZONLH-UHFFFAOYSA-N -1 1 377.372 -0.338 20 0 GBADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1CC(F)(F)F ZINC000738294936 598749812 /nfs/dbraw/zinc/74/98/12/598749812.db2.gz GNGYHVPZUWVQLY-SECBINFHSA-N -1 1 391.335 -0.297 20 0 GBADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1CC(F)(F)F ZINC000738294936 598749811 /nfs/dbraw/zinc/74/98/11/598749811.db2.gz GNGYHVPZUWVQLY-SECBINFHSA-N -1 1 391.335 -0.297 20 0 GBADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1CC(F)(F)F ZINC000738294940 598749503 /nfs/dbraw/zinc/74/95/03/598749503.db2.gz GNGYHVPZUWVQLY-VIFPVBQESA-N -1 1 391.335 -0.297 20 0 GBADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1CC(F)(F)F ZINC000738294940 598749502 /nfs/dbraw/zinc/74/95/02/598749502.db2.gz GNGYHVPZUWVQLY-VIFPVBQESA-N -1 1 391.335 -0.297 20 0 GBADMM O=C(c1cc(=O)[nH][n-]1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000738296616 598625150 /nfs/dbraw/zinc/62/51/50/598625150.db2.gz LWTDYIVGDAIDIN-UHFFFAOYSA-N -1 1 397.355 -0.361 20 0 GBADMM O=C(CN1CCCNC(=O)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000738301821 598370104 /nfs/dbraw/zinc/37/01/04/598370104.db2.gz CEEZAPKWACKFSZ-UHFFFAOYSA-N -1 1 381.400 -0.187 20 0 GBADMM O=C(CN1CCCNC(=O)C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000738301821 598370102 /nfs/dbraw/zinc/37/01/02/598370102.db2.gz CEEZAPKWACKFSZ-UHFFFAOYSA-N -1 1 381.400 -0.187 20 0 GBADMM O=C(c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1)N1CCNC(=O)C1 ZINC000738303971 598346182 /nfs/dbraw/zinc/34/61/82/598346182.db2.gz SUPTVDYPXUSDNE-UHFFFAOYSA-N -1 1 379.384 -0.159 20 0 GBADMM O=C(c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1)N1CCNC(=O)C1 ZINC000738303971 598346180 /nfs/dbraw/zinc/34/61/80/598346180.db2.gz SUPTVDYPXUSDNE-UHFFFAOYSA-N -1 1 379.384 -0.159 20 0 GBADMM O=C1c2ccccc2C(=O)N1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738312685 598267501 /nfs/dbraw/zinc/26/75/01/598267501.db2.gz CCKZCSDLISVDCJ-UHFFFAOYSA-N -1 1 399.392 -0.164 20 0 GBADMM O=C1c2ccccc2C(=O)N1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738312685 598267500 /nfs/dbraw/zinc/26/75/00/598267500.db2.gz CCKZCSDLISVDCJ-UHFFFAOYSA-N -1 1 399.392 -0.164 20 0 GBADMM Cc1cc(=O)n2[nH]c(NS(=O)(=O)c3ccc(OCC(=O)[O-])cc3)nc2n1 ZINC000738314443 600247026 /nfs/dbraw/zinc/24/70/26/600247026.db2.gz LZQIIGBMKFFBBO-UHFFFAOYSA-N -1 1 379.354 -0.010 20 0 GBADMM O=S(=O)([C@@H]1CCOC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738317856 599324766 /nfs/dbraw/zinc/32/47/66/599324766.db2.gz NUCFWQYTUKFRQD-LLVKDONJSA-N -1 1 395.445 -0.027 20 0 GBADMM O=S(=O)([C@H]1CCOC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738317857 599325296 /nfs/dbraw/zinc/32/52/96/599325296.db2.gz NUCFWQYTUKFRQD-NSHDSACASA-N -1 1 395.445 -0.027 20 0 GBADMM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738320940 598269565 /nfs/dbraw/zinc/26/95/65/598269565.db2.gz TTXAHFGFEJNNLR-JTQLQIEISA-N -1 1 378.418 -0.560 20 0 GBADMM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738320940 598269563 /nfs/dbraw/zinc/26/95/63/598269563.db2.gz TTXAHFGFEJNNLR-JTQLQIEISA-N -1 1 378.418 -0.560 20 0 GBADMM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738320944 598269604 /nfs/dbraw/zinc/26/96/04/598269604.db2.gz TTXAHFGFEJNNLR-SNVBAGLBSA-N -1 1 378.418 -0.560 20 0 GBADMM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738320944 598269602 /nfs/dbraw/zinc/26/96/02/598269602.db2.gz TTXAHFGFEJNNLR-SNVBAGLBSA-N -1 1 378.418 -0.560 20 0 GBADMM O=S(=O)(CCNc1c2ccccc2nnc1-c1nn[n-]n1)N1CCOCC1 ZINC000738331489 598964238 /nfs/dbraw/zinc/96/42/38/598964238.db2.gz SVNQXXRFLVWUHF-UHFFFAOYSA-N -1 1 390.429 -0.116 20 0 GBADMM O=S(=O)(CCNc1c2ccccc2nnc1-c1nnn[n-]1)N1CCOCC1 ZINC000738331489 598964237 /nfs/dbraw/zinc/96/42/37/598964237.db2.gz SVNQXXRFLVWUHF-UHFFFAOYSA-N -1 1 390.429 -0.116 20 0 GBADMM O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341791 598267931 /nfs/dbraw/zinc/26/79/31/598267931.db2.gz FOKXZOOUKPJJOS-LLVKDONJSA-N -1 1 387.429 -0.001 20 0 GBADMM O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341791 598267929 /nfs/dbraw/zinc/26/79/29/598267929.db2.gz FOKXZOOUKPJJOS-LLVKDONJSA-N -1 1 387.429 -0.001 20 0 GBADMM O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341793 598267486 /nfs/dbraw/zinc/26/74/86/598267486.db2.gz FOKXZOOUKPJJOS-NSHDSACASA-N -1 1 387.429 -0.001 20 0 GBADMM O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341793 598267485 /nfs/dbraw/zinc/26/74/85/598267485.db2.gz FOKXZOOUKPJJOS-NSHDSACASA-N -1 1 387.429 -0.001 20 0 GBADMM O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344144 598266178 /nfs/dbraw/zinc/26/61/78/598266178.db2.gz VZAHQJWUUVHYMC-UHFFFAOYSA-N -1 1 387.429 -0.001 20 0 GBADMM O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344144 598266177 /nfs/dbraw/zinc/26/61/77/598266177.db2.gz VZAHQJWUUVHYMC-UHFFFAOYSA-N -1 1 387.429 -0.001 20 0 GBADMM O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346318 598429452 /nfs/dbraw/zinc/42/94/52/598429452.db2.gz ZKTMDKVDPKGKTP-UHFFFAOYSA-N -1 1 384.385 -0.284 20 0 GBADMM O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346318 598429451 /nfs/dbraw/zinc/42/94/51/598429451.db2.gz ZKTMDKVDPKGKTP-UHFFFAOYSA-N -1 1 384.385 -0.284 20 0 GBADMM O=S(=O)(c1c[nH]cn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738346970 599481460 /nfs/dbraw/zinc/48/14/60/599481460.db2.gz BCBWTTFBHGFSCQ-UHFFFAOYSA-N -1 1 391.417 -0.034 20 0 GBADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000738355755 599274978 /nfs/dbraw/zinc/27/49/78/599274978.db2.gz ROIZCDXPLAIRQU-JTQLQIEISA-N -1 1 394.392 -0.313 20 0 GBADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000738355757 599275090 /nfs/dbraw/zinc/27/50/90/599275090.db2.gz ROIZCDXPLAIRQU-SNVBAGLBSA-N -1 1 394.392 -0.313 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738356076 598711919 /nfs/dbraw/zinc/71/19/19/598711919.db2.gz WSLBZCJOOFBGCZ-LLVKDONJSA-N -1 1 376.402 -0.452 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738356076 598711918 /nfs/dbraw/zinc/71/19/18/598711918.db2.gz WSLBZCJOOFBGCZ-LLVKDONJSA-N -1 1 376.402 -0.452 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](Cn2cccn2)C1 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FPEXMHBARSDZRF-MNOVXSKESA-N -1 1 388.436 -0.647 20 0 GBADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(=O)N(C)C ZINC000820348668 606788489 /nfs/dbraw/zinc/78/84/89/606788489.db2.gz FPEXMHBARSDZRF-MNOVXSKESA-N -1 1 388.436 -0.647 20 0 GBADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(=O)N(C)C ZINC000820348669 606788545 /nfs/dbraw/zinc/78/85/45/606788545.db2.gz FPEXMHBARSDZRF-QWRGUYRKSA-N -1 1 388.436 -0.647 20 0 GBADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(=O)N(C)C ZINC000820348669 606788543 /nfs/dbraw/zinc/78/85/43/606788543.db2.gz FPEXMHBARSDZRF-QWRGUYRKSA-N -1 1 388.436 -0.647 20 0 GBADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(=O)N(C)C ZINC000820348670 606793698 /nfs/dbraw/zinc/79/36/98/606793698.db2.gz FPEXMHBARSDZRF-WDEREUQCSA-N -1 1 388.436 -0.647 20 0 GBADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(=O)N(C)C ZINC000820348670 606793697 /nfs/dbraw/zinc/79/36/97/606793697.db2.gz FPEXMHBARSDZRF-WDEREUQCSA-N -1 1 388.436 -0.647 20 0 GBADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000820391776 606548406 /nfs/dbraw/zinc/54/84/06/606548406.db2.gz QQSXKLBBMZEGRU-MRVPVSSYSA-N -1 1 384.443 -0.697 20 0 GBADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000820391776 606548404 /nfs/dbraw/zinc/54/84/04/606548404.db2.gz QQSXKLBBMZEGRU-MRVPVSSYSA-N -1 1 384.443 -0.697 20 0 GBADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000820391777 606548532 /nfs/dbraw/zinc/54/85/32/606548532.db2.gz QQSXKLBBMZEGRU-QMMMGPOBSA-N -1 1 384.443 -0.697 20 0 GBADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000820391777 606548531 /nfs/dbraw/zinc/54/85/31/606548531.db2.gz QQSXKLBBMZEGRU-QMMMGPOBSA-N -1 1 384.443 -0.697 20 0 GBADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820449655 599322738 /nfs/dbraw/zinc/32/27/38/599322738.db2.gz AAENNDZDIJCRCJ-SECBINFHSA-N -1 1 391.413 -0.696 20 0 GBADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820449656 599322996 /nfs/dbraw/zinc/32/29/96/599322996.db2.gz AAENNDZDIJCRCJ-VIFPVBQESA-N -1 1 391.413 -0.696 20 0 GBADMM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820449665 606749036 /nfs/dbraw/zinc/74/90/36/606749036.db2.gz ABVAFDBUCADURE-SECBINFHSA-N -1 1 392.401 -0.595 20 0 GBADMM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820449665 606749034 /nfs/dbraw/zinc/74/90/34/606749034.db2.gz ABVAFDBUCADURE-SECBINFHSA-N -1 1 392.401 -0.595 20 0 GBADMM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820449666 606748925 /nfs/dbraw/zinc/74/89/25/606748925.db2.gz ABVAFDBUCADURE-VIFPVBQESA-N -1 1 392.401 -0.595 20 0 GBADMM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820449666 606748923 /nfs/dbraw/zinc/74/89/23/606748923.db2.gz ABVAFDBUCADURE-VIFPVBQESA-N -1 1 392.401 -0.595 20 0 GBADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](O)c1cccc(F)c1 ZINC000820450274 606424794 /nfs/dbraw/zinc/42/47/94/606424794.db2.gz IXLQHOQIISIPTA-PELKAZGASA-N -1 1 375.364 -0.063 20 0 GBADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H](O)c1cccc(F)c1 ZINC000820450278 606425060 /nfs/dbraw/zinc/42/50/60/606425060.db2.gz IXLQHOQIISIPTA-PRHODGIISA-N -1 1 375.364 -0.063 20 0 GBADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H](O)c1cccc(F)c1 ZINC000820450279 606425102 /nfs/dbraw/zinc/42/51/02/606425102.db2.gz IXLQHOQIISIPTA-QPUJVOFHSA-N -1 1 375.364 -0.063 20 0 GBADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](O)c1cccc(F)c1 ZINC000820450281 606425036 /nfs/dbraw/zinc/42/50/36/606425036.db2.gz IXLQHOQIISIPTA-UFBFGSQYSA-N -1 1 375.364 -0.063 20 0 GBADMM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820450298 606697594 /nfs/dbraw/zinc/69/75/94/606697594.db2.gz JGNILAOWBBVRPT-MRVPVSSYSA-N -1 1 392.401 -0.389 20 0 GBADMM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820450299 606697691 /nfs/dbraw/zinc/69/76/91/606697691.db2.gz JGNILAOWBBVRPT-QMMMGPOBSA-N -1 1 392.401 -0.389 20 0 GBADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nnc2n1CCCCC2 ZINC000820450534 606136625 /nfs/dbraw/zinc/13/66/25/606136625.db2.gz LTBZJKGFJTULER-SECBINFHSA-N -1 1 386.420 -0.245 20 0 GBADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nnc2n1CCCCC2 ZINC000820450537 606136199 /nfs/dbraw/zinc/13/61/99/606136199.db2.gz LTBZJKGFJTULER-VIFPVBQESA-N -1 1 386.420 -0.245 20 0 GBADMM CC[C@H](C)[C@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000820459821 598187568 /nfs/dbraw/zinc/18/75/68/598187568.db2.gz YPBADINVZJANPW-GUTXKFCHSA-N -1 1 375.491 -0.593 20 0 GBADMM CC[C@H](C)[C@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000820459822 598187599 /nfs/dbraw/zinc/18/75/99/598187599.db2.gz YPBADINVZJANPW-YDHLFZDLSA-N -1 1 375.491 -0.593 20 0 GBADMM C[C@@H](O)c1cn(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nn1 ZINC000820481758 606834489 /nfs/dbraw/zinc/83/44/89/606834489.db2.gz ZYDQOFREMQSGIJ-GHMZBOCLSA-N -1 1 399.419 -0.961 20 0 GBADMM C[C@@H](O)c1cn(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nn1 ZINC000820481758 606834486 /nfs/dbraw/zinc/83/44/86/606834486.db2.gz ZYDQOFREMQSGIJ-GHMZBOCLSA-N -1 1 399.419 -0.961 20 0 GBADMM C[C@H](O)c1cn(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nn1 ZINC000820481772 606834840 /nfs/dbraw/zinc/83/48/40/606834840.db2.gz ZYDQOFREMQSGIJ-MNOVXSKESA-N -1 1 399.419 -0.961 20 0 GBADMM C[C@H](O)c1cn(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nn1 ZINC000820481772 606834839 /nfs/dbraw/zinc/83/48/39/606834839.db2.gz ZYDQOFREMQSGIJ-MNOVXSKESA-N -1 1 399.419 -0.961 20 0 GBADMM C[C@H](O)c1cn(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nn1 ZINC000820481774 606834290 /nfs/dbraw/zinc/83/42/90/606834290.db2.gz ZYDQOFREMQSGIJ-QWRGUYRKSA-N -1 1 399.419 -0.961 20 0 GBADMM C[C@H](O)c1cn(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nn1 ZINC000820481774 606834288 /nfs/dbraw/zinc/83/42/88/606834288.db2.gz ZYDQOFREMQSGIJ-QWRGUYRKSA-N -1 1 399.419 -0.961 20 0 GBADMM C[C@@H](O)c1cn(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nn1 ZINC000820481776 606834865 /nfs/dbraw/zinc/83/48/65/606834865.db2.gz ZYDQOFREMQSGIJ-WDEREUQCSA-N -1 1 399.419 -0.961 20 0 GBADMM C[C@@H](O)c1cn(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nn1 ZINC000820481776 606834864 /nfs/dbraw/zinc/83/48/64/606834864.db2.gz ZYDQOFREMQSGIJ-WDEREUQCSA-N -1 1 399.419 -0.961 20 0 GBADMM C[C@@H](Oc1ccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1)C(N)=O ZINC000820534018 599035047 /nfs/dbraw/zinc/03/50/47/599035047.db2.gz IXQXAMBYNNVVAV-MRVPVSSYSA-N -1 1 387.356 -0.691 20 0 GBADMM C[C@H](Oc1ccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1)C(N)=O ZINC000820534019 599035397 /nfs/dbraw/zinc/03/53/97/599035397.db2.gz IXQXAMBYNNVVAV-QMMMGPOBSA-N -1 1 387.356 -0.691 20 0 GBADMM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820569959 607216040 /nfs/dbraw/zinc/21/60/40/607216040.db2.gz BKZIDIMBZQHMOZ-JTQLQIEISA-N -1 1 399.419 -0.376 20 0 GBADMM C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820569961 607215962 /nfs/dbraw/zinc/21/59/62/607215962.db2.gz BKZIDIMBZQHMOZ-SNVBAGLBSA-N -1 1 399.419 -0.376 20 0 GBADMM CC1(C)CN=C(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)S1 ZINC000820607534 607218304 /nfs/dbraw/zinc/21/83/04/607218304.db2.gz UTLVABHYNLGTJS-UHFFFAOYSA-N -1 1 376.450 -0.516 20 0 GBADMM C[C@@]1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC000820623460 606840460 /nfs/dbraw/zinc/84/04/60/606840460.db2.gz RAMLXWFNDNHTRV-GFCCVEGCSA-N -1 1 375.407 -0.139 20 0 GBADMM C[C@]1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC000820623461 606840584 /nfs/dbraw/zinc/84/05/84/606840584.db2.gz RAMLXWFNDNHTRV-LBPRGKRZSA-N -1 1 375.407 -0.139 20 0 GBADMM CN1CCN(C[C@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCO2)CC1 ZINC000820626131 955475032 /nfs/dbraw/zinc/47/50/32/955475032.db2.gz HYLPREAIUWYZHO-AWEZNQCLSA-N -1 1 390.440 -0.202 20 0 GBADMM CN1CCN(C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCO2)CC1 ZINC000820626132 955475370 /nfs/dbraw/zinc/47/53/70/955475370.db2.gz HYLPREAIUWYZHO-CQSZACIVSA-N -1 1 390.440 -0.202 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820658428 606171595 /nfs/dbraw/zinc/17/15/95/606171595.db2.gz SHDKLHWWSVYXQP-GZMMTYOYSA-N -1 1 385.392 -0.351 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820658428 606171593 /nfs/dbraw/zinc/17/15/93/606171593.db2.gz SHDKLHWWSVYXQP-GZMMTYOYSA-N -1 1 385.392 -0.351 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820658430 606171703 /nfs/dbraw/zinc/17/17/03/606171703.db2.gz SHDKLHWWSVYXQP-KCJUWKMLSA-N -1 1 385.392 -0.351 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820658430 606171701 /nfs/dbraw/zinc/17/17/01/606171701.db2.gz SHDKLHWWSVYXQP-KCJUWKMLSA-N -1 1 385.392 -0.351 20 0 GBADMM C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820658431 606171661 /nfs/dbraw/zinc/17/16/61/606171661.db2.gz SHDKLHWWSVYXQP-KWQFWETISA-N -1 1 385.392 -0.351 20 0 GBADMM C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820658431 606171659 /nfs/dbraw/zinc/17/16/59/606171659.db2.gz SHDKLHWWSVYXQP-KWQFWETISA-N -1 1 385.392 -0.351 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820658432 606171576 /nfs/dbraw/zinc/17/15/76/606171576.db2.gz SHDKLHWWSVYXQP-LDYMZIIASA-N -1 1 385.392 -0.351 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820658432 606171573 /nfs/dbraw/zinc/17/15/73/606171573.db2.gz SHDKLHWWSVYXQP-LDYMZIIASA-N -1 1 385.392 -0.351 20 0 GBADMM C[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C(=O)N1c1ccccc1 ZINC000820664701 945515137 /nfs/dbraw/zinc/51/51/37/945515137.db2.gz BJZNJKWZXOFBNB-CMPLNLGQSA-N -1 1 396.411 -0.130 20 0 GBADMM C[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C(=O)N1c1ccccc1 ZINC000820664704 945514275 /nfs/dbraw/zinc/51/42/75/945514275.db2.gz BJZNJKWZXOFBNB-JQWIXIFHSA-N -1 1 396.411 -0.130 20 0 GBADMM C[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C(=O)N1c1ccccc1 ZINC000820664708 945514222 /nfs/dbraw/zinc/51/42/22/945514222.db2.gz BJZNJKWZXOFBNB-PWSUYJOCSA-N -1 1 396.411 -0.130 20 0 GBADMM C[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C(=O)N1c1ccccc1 ZINC000820664710 945515009 /nfs/dbraw/zinc/51/50/09/945515009.db2.gz BJZNJKWZXOFBNB-ZYHUDNBSSA-N -1 1 396.411 -0.130 20 0 GBADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820732813 606805485 /nfs/dbraw/zinc/80/54/85/606805485.db2.gz AFBKICFNNRZTPM-GXSJLCMTSA-N -1 1 388.432 -0.677 20 0 GBADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820732816 606804993 /nfs/dbraw/zinc/80/49/93/606804993.db2.gz AFBKICFNNRZTPM-KOLCDFICSA-N -1 1 388.432 -0.677 20 0 GBADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820732818 606805170 /nfs/dbraw/zinc/80/51/70/606805170.db2.gz AFBKICFNNRZTPM-MWLCHTKSSA-N -1 1 388.432 -0.677 20 0 GBADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820732820 606805394 /nfs/dbraw/zinc/80/53/94/606805394.db2.gz AFBKICFNNRZTPM-ONGXEEELSA-N -1 1 388.432 -0.677 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1C[C@@H](O)c1ccccc1 ZINC000820733255 607217463 /nfs/dbraw/zinc/21/74/63/607217463.db2.gz DOIIJKSYZKVFPF-DZGCQCFKSA-N -1 1 397.443 -0.276 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1C[C@H](O)c1ccccc1 ZINC000820733268 607217597 /nfs/dbraw/zinc/21/75/97/607217597.db2.gz DOIIJKSYZKVFPF-HIFRSBDPSA-N -1 1 397.443 -0.276 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1C[C@@H](O)c1ccccc1 ZINC000820733272 607217386 /nfs/dbraw/zinc/21/73/86/607217386.db2.gz DOIIJKSYZKVFPF-UKRRQHHQSA-N -1 1 397.443 -0.276 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1C[C@H](O)c1ccccc1 ZINC000820733275 607217711 /nfs/dbraw/zinc/21/77/11/607217711.db2.gz 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C[C@@H]1CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCO1 ZINC000820734382 606777544 /nfs/dbraw/zinc/77/75/44/606777544.db2.gz MJZMTBYUZFJOJQ-QWHCGFSZSA-N -1 1 387.448 -0.586 20 0 GBADMM C[C@H]1CN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCO1 ZINC000820734383 606777636 /nfs/dbraw/zinc/77/76/36/606777636.db2.gz MJZMTBYUZFJOJQ-STQMWFEESA-N -1 1 387.448 -0.586 20 0 GBADMM C[C@H]1CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCO1 ZINC000820734383 606777634 /nfs/dbraw/zinc/77/76/34/606777634.db2.gz MJZMTBYUZFJOJQ-STQMWFEESA-N -1 1 387.448 -0.586 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1C(=O)OC(C)(C)C ZINC000820735676 607219467 /nfs/dbraw/zinc/21/94/67/607219467.db2.gz UTNBXHWSNYTRSF-JTQLQIEISA-N -1 1 377.409 -0.074 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1C(=O)OC(C)(C)C ZINC000820735679 607219387 /nfs/dbraw/zinc/21/93/87/607219387.db2.gz UTNBXHWSNYTRSF-SNVBAGLBSA-N -1 1 377.409 -0.074 20 0 GBADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820742328 608079030 /nfs/dbraw/zinc/07/90/30/608079030.db2.gz JKZUZHGGVVWOOX-JTQLQIEISA-N -1 1 377.409 -0.074 20 0 GBADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820742330 608079217 /nfs/dbraw/zinc/07/92/17/608079217.db2.gz JKZUZHGGVVWOOX-SNVBAGLBSA-N -1 1 377.409 -0.074 20 0 GBADMM NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000820748883 637995665 /nfs/dbraw/zinc/99/56/65/637995665.db2.gz QXTHKOZIVPRGLC-UHFFFAOYSA-N -1 1 381.501 -0.027 20 0 GBADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820767024 606172445 /nfs/dbraw/zinc/17/24/45/606172445.db2.gz FMPADOBZEXFQMG-PSASIEDQSA-N -1 1 383.438 -0.608 20 0 GBADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820767024 606172444 /nfs/dbraw/zinc/17/24/44/606172444.db2.gz FMPADOBZEXFQMG-PSASIEDQSA-N -1 1 383.438 -0.608 20 0 GBADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820767027 606172218 /nfs/dbraw/zinc/17/22/18/606172218.db2.gz 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C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)C[C@H](C)O1 ZINC000820767032 607208056 /nfs/dbraw/zinc/20/80/56/607208056.db2.gz FMPZECZOJFLCRD-RYUDHWBXSA-N -1 1 398.431 -0.217 20 0 GBADMM C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)C[C@H](C)O1 ZINC000820767035 607208116 /nfs/dbraw/zinc/20/81/16/607208116.db2.gz FMPZECZOJFLCRD-TXEJJXNPSA-N -1 1 398.431 -0.217 20 0 GBADMM C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)C[C@@H](C)O1 ZINC000820767037 607207929 /nfs/dbraw/zinc/20/79/29/607207929.db2.gz FMPZECZOJFLCRD-VXGBXAGGSA-N -1 1 398.431 -0.217 20 0 GBADMM C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)CCO1 ZINC000820767638 607207984 /nfs/dbraw/zinc/20/79/84/607207984.db2.gz JCSODXQSUNEDAI-LLVKDONJSA-N -1 1 384.404 -0.605 20 0 GBADMM C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)CCO1 ZINC000820767639 607207920 /nfs/dbraw/zinc/20/79/20/607207920.db2.gz JCSODXQSUNEDAI-NSHDSACASA-N -1 1 384.404 -0.605 20 0 GBADMM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H](C(F)(F)F)O1 ZINC000820767650 599687767 /nfs/dbraw/zinc/68/77/67/599687767.db2.gz JITIRPJXXXDOAR-BQBZGAKWSA-N -1 1 375.311 -0.580 20 0 GBADMM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H](C(F)(F)F)O1 ZINC000820767651 599687731 /nfs/dbraw/zinc/68/77/31/599687731.db2.gz JITIRPJXXXDOAR-NKWVEPMBSA-N -1 1 375.311 -0.580 20 0 GBADMM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H](C(F)(F)F)O1 ZINC000820767652 599687896 /nfs/dbraw/zinc/68/78/96/599687896.db2.gz JITIRPJXXXDOAR-RNFRBKRXSA-N -1 1 375.311 -0.580 20 0 GBADMM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H](C(F)(F)F)O1 ZINC000820767653 599687728 /nfs/dbraw/zinc/68/77/28/599687728.db2.gz JITIRPJXXXDOAR-RQJHMYQMSA-N -1 1 375.311 -0.580 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1N1CCOCC1 ZINC000820769980 606238644 /nfs/dbraw/zinc/23/86/44/606238644.db2.gz YIDRXOAHADVFRX-BXUZGUMPSA-N -1 1 379.446 -0.397 20 0 GBADMM 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ZINC000820769988 606238491 /nfs/dbraw/zinc/23/84/91/606238491.db2.gz YIDRXOAHADVFRX-SMDDNHRTSA-N -1 1 379.446 -0.397 20 0 GBADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1N1CCOCC1 ZINC000820769988 606238490 /nfs/dbraw/zinc/23/84/90/606238490.db2.gz YIDRXOAHADVFRX-SMDDNHRTSA-N -1 1 379.446 -0.397 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC000820774291 606854953 /nfs/dbraw/zinc/85/49/53/606854953.db2.gz AFZIUFNEUJKDTE-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC000820774291 606854951 /nfs/dbraw/zinc/85/49/51/606854951.db2.gz AFZIUFNEUJKDTE-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC000820774292 606854913 /nfs/dbraw/zinc/85/49/13/606854913.db2.gz AFZIUFNEUJKDTE-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC000820774292 606854912 /nfs/dbraw/zinc/85/49/12/606854912.db2.gz AFZIUFNEUJKDTE-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1cccnc1 ZINC000820774347 606838368 /nfs/dbraw/zinc/83/83/68/606838368.db2.gz BDUVBEFSZYHRLM-LLVKDONJSA-N -1 1 394.399 -0.273 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1cccnc1 ZINC000820774347 606838367 /nfs/dbraw/zinc/83/83/67/606838367.db2.gz BDUVBEFSZYHRLM-LLVKDONJSA-N -1 1 394.399 -0.273 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1cccnc1 ZINC000820774348 606838899 /nfs/dbraw/zinc/83/88/99/606838899.db2.gz BDUVBEFSZYHRLM-NSHDSACASA-N -1 1 394.399 -0.273 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1cccnc1 ZINC000820774348 606838897 /nfs/dbraw/zinc/83/88/97/606838897.db2.gz BDUVBEFSZYHRLM-NSHDSACASA-N -1 1 394.399 -0.273 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC000820774361 606823433 /nfs/dbraw/zinc/82/34/33/606823433.db2.gz BIEGSCWUGZPQAQ-LLVKDONJSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC000820774361 606823431 /nfs/dbraw/zinc/82/34/31/606823431.db2.gz BIEGSCWUGZPQAQ-LLVKDONJSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC000820774362 606823186 /nfs/dbraw/zinc/82/31/86/606823186.db2.gz BIEGSCWUGZPQAQ-NSHDSACASA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC000820774362 606823185 /nfs/dbraw/zinc/82/31/85/606823185.db2.gz BIEGSCWUGZPQAQ-NSHDSACASA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCCC1=O ZINC000820774363 606819842 /nfs/dbraw/zinc/81/98/42/606819842.db2.gz BJTJUOCONFBSBN-GFCCVEGCSA-N -1 1 385.432 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCCC1=O ZINC000820774363 606819840 /nfs/dbraw/zinc/81/98/40/606819840.db2.gz BJTJUOCONFBSBN-GFCCVEGCSA-N -1 1 385.432 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCCC1=O ZINC000820774364 606819367 /nfs/dbraw/zinc/81/93/67/606819367.db2.gz BJTJUOCONFBSBN-LBPRGKRZSA-N -1 1 385.432 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCCC1=O ZINC000820774364 606819366 /nfs/dbraw/zinc/81/93/66/606819366.db2.gz BJTJUOCONFBSBN-LBPRGKRZSA-N -1 1 385.432 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000820774409 606815222 /nfs/dbraw/zinc/81/52/22/606815222.db2.gz CENYDJPDLQOIOS-JTQLQIEISA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000820774409 606815220 /nfs/dbraw/zinc/81/52/20/606815220.db2.gz CENYDJPDLQOIOS-JTQLQIEISA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000820774410 606815585 /nfs/dbraw/zinc/81/55/85/606815585.db2.gz CENYDJPDLQOIOS-SNVBAGLBSA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000820774410 606815583 /nfs/dbraw/zinc/81/55/83/606815583.db2.gz CENYDJPDLQOIOS-SNVBAGLBSA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000820774455 606829379 /nfs/dbraw/zinc/82/93/79/606829379.db2.gz DAGVOOAAEOSPCK-BDAKNGLRSA-N -1 1 375.418 -0.481 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000820774455 606829378 /nfs/dbraw/zinc/82/93/78/606829378.db2.gz DAGVOOAAEOSPCK-BDAKNGLRSA-N -1 1 375.418 -0.481 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CSC(=O)N1 ZINC000820774456 606829435 /nfs/dbraw/zinc/82/94/35/606829435.db2.gz DAGVOOAAEOSPCK-DTWKUNHWSA-N -1 1 375.418 -0.481 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CSC(=O)N1 ZINC000820774456 606829434 /nfs/dbraw/zinc/82/94/34/606829434.db2.gz DAGVOOAAEOSPCK-DTWKUNHWSA-N -1 1 375.418 -0.481 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000820774457 606829391 /nfs/dbraw/zinc/82/93/91/606829391.db2.gz DAGVOOAAEOSPCK-IUCAKERBSA-N -1 1 375.418 -0.481 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000820774457 606829390 /nfs/dbraw/zinc/82/93/90/606829390.db2.gz DAGVOOAAEOSPCK-IUCAKERBSA-N -1 1 375.418 -0.481 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CSC(=O)N1 ZINC000820774458 606829215 /nfs/dbraw/zinc/82/92/15/606829215.db2.gz DAGVOOAAEOSPCK-RKDXNWHRSA-N -1 1 375.418 -0.481 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CSC(=O)N1 ZINC000820774458 606829213 /nfs/dbraw/zinc/82/92/13/606829213.db2.gz DAGVOOAAEOSPCK-RKDXNWHRSA-N -1 1 375.418 -0.481 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1ccccc1=O ZINC000820774472 606823253 /nfs/dbraw/zinc/82/32/53/606823253.db2.gz DIRACDPZYATCPK-CYBMUJFWSA-N -1 1 395.427 -0.054 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1ccccc1=O ZINC000820774472 606823251 /nfs/dbraw/zinc/82/32/51/606823251.db2.gz DIRACDPZYATCPK-CYBMUJFWSA-N -1 1 395.427 -0.054 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCn1ccccc1=O ZINC000820774473 606823103 /nfs/dbraw/zinc/82/31/03/606823103.db2.gz DIRACDPZYATCPK-ZDUSSCGKSA-N -1 1 395.427 -0.054 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCn1ccccc1=O ZINC000820774473 606823101 /nfs/dbraw/zinc/82/31/01/606823101.db2.gz DIRACDPZYATCPK-ZDUSSCGKSA-N -1 1 395.427 -0.054 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H](O)C1CCOCC1 ZINC000820774484 606831023 /nfs/dbraw/zinc/83/10/23/606831023.db2.gz DQRBEQQYZDXTIX-BXUZGUMPSA-N -1 1 388.432 -0.519 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H](O)C1CCOCC1 ZINC000820774484 606831022 /nfs/dbraw/zinc/83/10/22/606831022.db2.gz DQRBEQQYZDXTIX-BXUZGUMPSA-N -1 1 388.432 -0.519 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H](O)C1CCOCC1 ZINC000820774485 606830708 /nfs/dbraw/zinc/83/07/08/606830708.db2.gz DQRBEQQYZDXTIX-FZMZJTMJSA-N -1 1 388.432 -0.519 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H](O)C1CCOCC1 ZINC000820774485 606830707 /nfs/dbraw/zinc/83/07/07/606830707.db2.gz DQRBEQQYZDXTIX-FZMZJTMJSA-N -1 1 388.432 -0.519 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H](O)C1CCOCC1 ZINC000820774486 606831035 /nfs/dbraw/zinc/83/10/35/606831035.db2.gz DQRBEQQYZDXTIX-RISCZKNCSA-N -1 1 388.432 -0.519 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H](O)C1CCOCC1 ZINC000820774486 606831033 /nfs/dbraw/zinc/83/10/33/606831033.db2.gz DQRBEQQYZDXTIX-RISCZKNCSA-N -1 1 388.432 -0.519 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H](O)C1CCOCC1 ZINC000820774487 606831077 /nfs/dbraw/zinc/83/10/77/606831077.db2.gz DQRBEQQYZDXTIX-SMDDNHRTSA-N -1 1 388.432 -0.519 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H](O)C1CCOCC1 ZINC000820774487 606831076 /nfs/dbraw/zinc/83/10/76/606831076.db2.gz DQRBEQQYZDXTIX-SMDDNHRTSA-N -1 1 388.432 -0.519 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COC[C@H]1CCCO1 ZINC000820774880 606822977 /nfs/dbraw/zinc/82/29/77/606822977.db2.gz GUCNQVLVXMVUCG-CHWSQXEVSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COC[C@H]1CCCO1 ZINC000820774880 606822976 /nfs/dbraw/zinc/82/29/76/606822976.db2.gz GUCNQVLVXMVUCG-CHWSQXEVSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COC[C@@H]1CCCO1 ZINC000820774883 606823357 /nfs/dbraw/zinc/82/33/57/606823357.db2.gz GUCNQVLVXMVUCG-OLZOCXBDSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COC[C@@H]1CCCO1 ZINC000820774883 606823355 /nfs/dbraw/zinc/82/33/55/606823355.db2.gz GUCNQVLVXMVUCG-OLZOCXBDSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COC[C@H]1CCCO1 ZINC000820774887 606823120 /nfs/dbraw/zinc/82/31/20/606823120.db2.gz GUCNQVLVXMVUCG-QWHCGFSZSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COC[C@H]1CCCO1 ZINC000820774887 606823118 /nfs/dbraw/zinc/82/31/18/606823118.db2.gz GUCNQVLVXMVUCG-QWHCGFSZSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COC[C@@H]1CCCO1 ZINC000820774890 606823351 /nfs/dbraw/zinc/82/33/51/606823351.db2.gz GUCNQVLVXMVUCG-STQMWFEESA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COC[C@@H]1CCCO1 ZINC000820774890 606823349 /nfs/dbraw/zinc/82/33/49/606823349.db2.gz GUCNQVLVXMVUCG-STQMWFEESA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC000820775017 606821398 /nfs/dbraw/zinc/82/13/98/606821398.db2.gz HNCKFLISVDCWGJ-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC000820775017 606821396 /nfs/dbraw/zinc/82/13/96/606821396.db2.gz HNCKFLISVDCWGJ-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC000820775021 606821224 /nfs/dbraw/zinc/82/12/24/606821224.db2.gz HNCKFLISVDCWGJ-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC000820775021 606821222 /nfs/dbraw/zinc/82/12/22/606821222.db2.gz HNCKFLISVDCWGJ-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC000820775414 606823383 /nfs/dbraw/zinc/82/33/83/606823383.db2.gz HZMZCOSVASYDJZ-GFCCVEGCSA-N -1 1 381.400 -0.444 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC000820775414 606823381 /nfs/dbraw/zinc/82/33/81/606823381.db2.gz HZMZCOSVASYDJZ-GFCCVEGCSA-N -1 1 381.400 -0.444 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC000820775416 606823204 /nfs/dbraw/zinc/82/32/04/606823204.db2.gz HZMZCOSVASYDJZ-LBPRGKRZSA-N -1 1 381.400 -0.444 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC000820775416 606823201 /nfs/dbraw/zinc/82/32/01/606823201.db2.gz HZMZCOSVASYDJZ-LBPRGKRZSA-N -1 1 381.400 -0.444 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCSC1=O ZINC000820775525 606825056 /nfs/dbraw/zinc/82/50/56/606825056.db2.gz IQJPHTFFHVAJSJ-JTQLQIEISA-N -1 1 389.445 -0.137 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCSC1=O ZINC000820775525 606825053 /nfs/dbraw/zinc/82/50/53/606825053.db2.gz IQJPHTFFHVAJSJ-JTQLQIEISA-N -1 1 389.445 -0.137 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCSC1=O ZINC000820775527 606824905 /nfs/dbraw/zinc/82/49/05/606824905.db2.gz IQJPHTFFHVAJSJ-SNVBAGLBSA-N -1 1 389.445 -0.137 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCSC1=O ZINC000820775527 606824903 /nfs/dbraw/zinc/82/49/03/606824903.db2.gz IQJPHTFFHVAJSJ-SNVBAGLBSA-N -1 1 389.445 -0.137 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000820775759 606819848 /nfs/dbraw/zinc/81/98/48/606819848.db2.gz JCZPBGPGIDPKCI-NEPJUHHUSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000820775759 606819846 /nfs/dbraw/zinc/81/98/46/606819846.db2.gz JCZPBGPGIDPKCI-NEPJUHHUSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000820775766 606819420 /nfs/dbraw/zinc/81/94/20/606819420.db2.gz JCZPBGPGIDPKCI-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000820775766 606819418 /nfs/dbraw/zinc/81/94/18/606819418.db2.gz JCZPBGPGIDPKCI-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000820775771 606819627 /nfs/dbraw/zinc/81/96/27/606819627.db2.gz JCZPBGPGIDPKCI-RYUDHWBXSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000820775771 606819625 /nfs/dbraw/zinc/81/96/25/606819625.db2.gz JCZPBGPGIDPKCI-RYUDHWBXSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000820775772 606819376 /nfs/dbraw/zinc/81/93/76/606819376.db2.gz JCZPBGPGIDPKCI-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000820775772 606819375 /nfs/dbraw/zinc/81/93/75/606819375.db2.gz JCZPBGPGIDPKCI-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CNCC(F)(F)F ZINC000820775953 606831786 /nfs/dbraw/zinc/83/17/86/606831786.db2.gz KRFNLJRMBIQZLA-SECBINFHSA-N -1 1 385.354 -0.154 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CNCC(F)(F)F ZINC000820775953 606831785 /nfs/dbraw/zinc/83/17/85/606831785.db2.gz KRFNLJRMBIQZLA-SECBINFHSA-N -1 1 385.354 -0.154 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CNCC(F)(F)F ZINC000820775954 606831789 /nfs/dbraw/zinc/83/17/89/606831789.db2.gz KRFNLJRMBIQZLA-VIFPVBQESA-N -1 1 385.354 -0.154 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CNCC(F)(F)F ZINC000820775954 606831788 /nfs/dbraw/zinc/83/17/88/606831788.db2.gz KRFNLJRMBIQZLA-VIFPVBQESA-N -1 1 385.354 -0.154 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCNC1=O ZINC000820776218 606824757 /nfs/dbraw/zinc/82/47/57/606824757.db2.gz LFDASDSGWROIED-LLVKDONJSA-N -1 1 386.420 -0.891 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCNC1=O ZINC000820776218 606824756 /nfs/dbraw/zinc/82/47/56/606824756.db2.gz LFDASDSGWROIED-LLVKDONJSA-N -1 1 386.420 -0.891 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCNC1=O ZINC000820776223 606824711 /nfs/dbraw/zinc/82/47/11/606824711.db2.gz LFDASDSGWROIED-NSHDSACASA-N -1 1 386.420 -0.891 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCNC1=O ZINC000820776223 606824710 /nfs/dbraw/zinc/82/47/10/606824710.db2.gz LFDASDSGWROIED-NSHDSACASA-N -1 1 386.420 -0.891 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCCC1=O ZINC000820776277 606822950 /nfs/dbraw/zinc/82/29/50/606822950.db2.gz LLHAIICGQRDAGL-GFCCVEGCSA-N -1 1 385.432 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCCC1=O ZINC000820776277 606822949 /nfs/dbraw/zinc/82/29/49/606822949.db2.gz LLHAIICGQRDAGL-GFCCVEGCSA-N -1 1 385.432 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCCC1=O ZINC000820776280 606823067 /nfs/dbraw/zinc/82/30/67/606823067.db2.gz LLHAIICGQRDAGL-LBPRGKRZSA-N -1 1 385.432 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCCC1=O ZINC000820776280 606823065 /nfs/dbraw/zinc/82/30/65/606823065.db2.gz LLHAIICGQRDAGL-LBPRGKRZSA-N -1 1 385.432 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC000820776293 606825067 /nfs/dbraw/zinc/82/50/67/606825067.db2.gz LNKNNUDNJYQEHB-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC000820776293 606825065 /nfs/dbraw/zinc/82/50/65/606825065.db2.gz LNKNNUDNJYQEHB-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC000820776298 606825122 /nfs/dbraw/zinc/82/51/22/606825122.db2.gz LNKNNUDNJYQEHB-NSHDSACASA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC000820776298 606825119 /nfs/dbraw/zinc/82/51/19/606825119.db2.gz LNKNNUDNJYQEHB-NSHDSACASA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000820776711 606819973 /nfs/dbraw/zinc/81/99/73/606819973.db2.gz MXDGTQVWLZBFFC-JTQLQIEISA-N -1 1 384.404 -0.698 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000820776711 606819972 /nfs/dbraw/zinc/81/99/72/606819972.db2.gz MXDGTQVWLZBFFC-JTQLQIEISA-N -1 1 384.404 -0.698 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000820776712 606819979 /nfs/dbraw/zinc/81/99/79/606819979.db2.gz MXDGTQVWLZBFFC-SNVBAGLBSA-N -1 1 384.404 -0.698 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000820776712 606819978 /nfs/dbraw/zinc/81/99/78/606819978.db2.gz MXDGTQVWLZBFFC-SNVBAGLBSA-N -1 1 384.404 -0.698 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COC1CCOCC1 ZINC000820776764 606825092 /nfs/dbraw/zinc/82/50/92/606825092.db2.gz NEGYPJZFMCGIBA-GFCCVEGCSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COC1CCOCC1 ZINC000820776764 606825090 /nfs/dbraw/zinc/82/50/90/606825090.db2.gz NEGYPJZFMCGIBA-GFCCVEGCSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COC1CCOCC1 ZINC000820776766 606824994 /nfs/dbraw/zinc/82/49/94/606824994.db2.gz NEGYPJZFMCGIBA-LBPRGKRZSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COC1CCOCC1 ZINC000820776766 606824992 /nfs/dbraw/zinc/82/49/92/606824992.db2.gz NEGYPJZFMCGIBA-LBPRGKRZSA-N -1 1 388.432 -0.111 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000820776785 606838837 /nfs/dbraw/zinc/83/88/37/606838837.db2.gz NFIULDZZJFEIMD-JTQLQIEISA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000820776785 606838836 /nfs/dbraw/zinc/83/88/36/606838836.db2.gz NFIULDZZJFEIMD-JTQLQIEISA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000820776790 606838876 /nfs/dbraw/zinc/83/88/76/606838876.db2.gz NFIULDZZJFEIMD-SNVBAGLBSA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000820776790 606838875 /nfs/dbraw/zinc/83/88/75/606838875.db2.gz NFIULDZZJFEIMD-SNVBAGLBSA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC000820776835 606831792 /nfs/dbraw/zinc/83/17/92/606831792.db2.gz NMJXAVJJOBRPBS-GFCCVEGCSA-N -1 1 387.448 -0.048 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC(=O)N(C)C ZINC000820776835 606831791 /nfs/dbraw/zinc/83/17/91/606831791.db2.gz NMJXAVJJOBRPBS-GFCCVEGCSA-N -1 1 387.448 -0.048 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC000820776837 606831712 /nfs/dbraw/zinc/83/17/12/606831712.db2.gz NMJXAVJJOBRPBS-LBPRGKRZSA-N -1 1 387.448 -0.048 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC(=O)N(C)C ZINC000820776837 606831711 /nfs/dbraw/zinc/83/17/11/606831711.db2.gz NMJXAVJJOBRPBS-LBPRGKRZSA-N -1 1 387.448 -0.048 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)c1cnn(C)c1 ZINC000820776909 606831493 /nfs/dbraw/zinc/83/14/93/606831493.db2.gz NRCYQWDBSCTMRI-JTQLQIEISA-N -1 1 382.388 -0.690 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)c1cnn(C)c1 ZINC000820776909 606831490 /nfs/dbraw/zinc/83/14/90/606831490.db2.gz NRCYQWDBSCTMRI-JTQLQIEISA-N -1 1 382.388 -0.690 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)c1cnn(C)c1 ZINC000820776911 606831516 /nfs/dbraw/zinc/83/15/16/606831516.db2.gz NRCYQWDBSCTMRI-SNVBAGLBSA-N -1 1 382.388 -0.690 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)c1cnn(C)c1 ZINC000820776911 606831514 /nfs/dbraw/zinc/83/15/14/606831514.db2.gz NRCYQWDBSCTMRI-SNVBAGLBSA-N -1 1 382.388 -0.690 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820777021 606820213 /nfs/dbraw/zinc/82/02/13/606820213.db2.gz OXJNMNFYRRKJOD-LLVKDONJSA-N -1 1 394.461 -0.483 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820777021 606820211 /nfs/dbraw/zinc/82/02/11/606820211.db2.gz OXJNMNFYRRKJOD-LLVKDONJSA-N -1 1 394.461 -0.483 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820777030 606819952 /nfs/dbraw/zinc/81/99/52/606819952.db2.gz OXJNMNFYRRKJOD-NSHDSACASA-N -1 1 394.461 -0.483 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820777030 606819951 /nfs/dbraw/zinc/81/99/51/606819951.db2.gz OXJNMNFYRRKJOD-NSHDSACASA-N -1 1 394.461 -0.483 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)S(C)(=O)=O ZINC000820777153 606854922 /nfs/dbraw/zinc/85/49/22/606854922.db2.gz PWHAYRXHUFWJJQ-JTQLQIEISA-N -1 1 394.461 -0.483 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)S(C)(=O)=O ZINC000820777153 606854921 /nfs/dbraw/zinc/85/49/21/606854921.db2.gz PWHAYRXHUFWJJQ-JTQLQIEISA-N -1 1 394.461 -0.483 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)S(C)(=O)=O ZINC000820777155 606854901 /nfs/dbraw/zinc/85/49/01/606854901.db2.gz PWHAYRXHUFWJJQ-SNVBAGLBSA-N -1 1 394.461 -0.483 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)S(C)(=O)=O ZINC000820777155 606854900 /nfs/dbraw/zinc/85/49/00/606854900.db2.gz PWHAYRXHUFWJJQ-SNVBAGLBSA-N -1 1 394.461 -0.483 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000820777277 606821929 /nfs/dbraw/zinc/82/19/29/606821929.db2.gz QNJVTOWORDYKJH-LLVKDONJSA-N -1 1 399.415 -0.767 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000820777277 606821928 /nfs/dbraw/zinc/82/19/28/606821928.db2.gz QNJVTOWORDYKJH-LLVKDONJSA-N -1 1 399.415 -0.767 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000820777281 606822116 /nfs/dbraw/zinc/82/21/16/606822116.db2.gz QNJVTOWORDYKJH-NSHDSACASA-N -1 1 399.415 -0.767 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1C(=O)CCC1=O ZINC000820777281 606822114 /nfs/dbraw/zinc/82/21/14/606822114.db2.gz QNJVTOWORDYKJH-NSHDSACASA-N -1 1 399.415 -0.767 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCS(C)(=O)=O ZINC000820777502 606820099 /nfs/dbraw/zinc/82/00/99/606820099.db2.gz RVDSVJIZURTOOL-LLVKDONJSA-N -1 1 394.461 -0.481 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCS(C)(=O)=O ZINC000820777502 606820098 /nfs/dbraw/zinc/82/00/98/606820098.db2.gz RVDSVJIZURTOOL-LLVKDONJSA-N -1 1 394.461 -0.481 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCS(C)(=O)=O ZINC000820777504 606820088 /nfs/dbraw/zinc/82/00/88/606820088.db2.gz RVDSVJIZURTOOL-NSHDSACASA-N -1 1 394.461 -0.481 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCS(C)(=O)=O ZINC000820777504 606820087 /nfs/dbraw/zinc/82/00/87/606820087.db2.gz RVDSVJIZURTOOL-NSHDSACASA-N -1 1 394.461 -0.481 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOC1=O ZINC000820777561 606820181 /nfs/dbraw/zinc/82/01/81/606820181.db2.gz SGPVCEVVJIESSH-LLVKDONJSA-N -1 1 387.404 -0.464 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOC1=O ZINC000820777561 606820179 /nfs/dbraw/zinc/82/01/79/606820179.db2.gz SGPVCEVVJIESSH-LLVKDONJSA-N -1 1 387.404 -0.464 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOC1=O ZINC000820777562 606820236 /nfs/dbraw/zinc/82/02/36/606820236.db2.gz SGPVCEVVJIESSH-NSHDSACASA-N -1 1 387.404 -0.464 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOC1=O ZINC000820777562 606820234 /nfs/dbraw/zinc/82/02/34/606820234.db2.gz SGPVCEVVJIESSH-NSHDSACASA-N -1 1 387.404 -0.464 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000820777963 606823144 /nfs/dbraw/zinc/82/31/44/606823144.db2.gz UDXRLEGIYKEHIO-NEPJUHHUSA-N -1 1 397.443 -0.295 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000820777963 606823142 /nfs/dbraw/zinc/82/31/42/606823142.db2.gz UDXRLEGIYKEHIO-NEPJUHHUSA-N -1 1 397.443 -0.295 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000820777965 606823034 /nfs/dbraw/zinc/82/30/34/606823034.db2.gz UDXRLEGIYKEHIO-NWDGAFQWSA-N -1 1 397.443 -0.295 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000820777965 606823033 /nfs/dbraw/zinc/82/30/33/606823033.db2.gz UDXRLEGIYKEHIO-NWDGAFQWSA-N -1 1 397.443 -0.295 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000820777967 606823108 /nfs/dbraw/zinc/82/31/08/606823108.db2.gz UDXRLEGIYKEHIO-RYUDHWBXSA-N -1 1 397.443 -0.295 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000820777967 606823107 /nfs/dbraw/zinc/82/31/07/606823107.db2.gz UDXRLEGIYKEHIO-RYUDHWBXSA-N -1 1 397.443 -0.295 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000820777970 606823247 /nfs/dbraw/zinc/82/32/47/606823247.db2.gz UDXRLEGIYKEHIO-VXGBXAGGSA-N -1 1 397.443 -0.295 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000820777970 606823245 /nfs/dbraw/zinc/82/32/45/606823245.db2.gz UDXRLEGIYKEHIO-VXGBXAGGSA-N -1 1 397.443 -0.295 20 0 GBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)N1C(=O)CCC1=O ZINC000820778069 606855063 /nfs/dbraw/zinc/85/50/63/606855063.db2.gz VASCTFNSWYBKGE-GHMZBOCLSA-N -1 1 399.415 -0.769 20 0 GBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)N1C(=O)CCC1=O ZINC000820778069 606855061 /nfs/dbraw/zinc/85/50/61/606855061.db2.gz VASCTFNSWYBKGE-GHMZBOCLSA-N -1 1 399.415 -0.769 20 0 GBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)N1C(=O)CCC1=O ZINC000820778070 606855150 /nfs/dbraw/zinc/85/51/50/606855150.db2.gz VASCTFNSWYBKGE-MNOVXSKESA-N -1 1 399.415 -0.769 20 0 GBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)N1C(=O)CCC1=O ZINC000820778070 606855148 /nfs/dbraw/zinc/85/51/48/606855148.db2.gz VASCTFNSWYBKGE-MNOVXSKESA-N -1 1 399.415 -0.769 20 0 GBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)N1C(=O)CCC1=O ZINC000820778071 606854956 /nfs/dbraw/zinc/85/49/56/606854956.db2.gz VASCTFNSWYBKGE-QWRGUYRKSA-N -1 1 399.415 -0.769 20 0 GBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)N1C(=O)CCC1=O ZINC000820778071 606854955 /nfs/dbraw/zinc/85/49/55/606854955.db2.gz VASCTFNSWYBKGE-QWRGUYRKSA-N -1 1 399.415 -0.769 20 0 GBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)N1C(=O)CCC1=O ZINC000820778072 606855179 /nfs/dbraw/zinc/85/51/79/606855179.db2.gz VASCTFNSWYBKGE-WDEREUQCSA-N -1 1 399.415 -0.769 20 0 GBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)N1C(=O)CCC1=O ZINC000820778072 606855177 /nfs/dbraw/zinc/85/51/77/606855177.db2.gz VASCTFNSWYBKGE-WDEREUQCSA-N -1 1 399.415 -0.769 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CSCC1=O ZINC000820778482 606823842 /nfs/dbraw/zinc/82/38/42/606823842.db2.gz XLCHJRNWFRGIHO-JTQLQIEISA-N -1 1 389.445 -0.773 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CSCC1=O ZINC000820778482 606823841 /nfs/dbraw/zinc/82/38/41/606823841.db2.gz XLCHJRNWFRGIHO-JTQLQIEISA-N -1 1 389.445 -0.773 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CSCC1=O ZINC000820778483 606824002 /nfs/dbraw/zinc/82/40/02/606824002.db2.gz XLCHJRNWFRGIHO-SNVBAGLBSA-N -1 1 389.445 -0.773 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CSCC1=O ZINC000820778483 606824000 /nfs/dbraw/zinc/82/40/00/606824000.db2.gz XLCHJRNWFRGIHO-SNVBAGLBSA-N -1 1 389.445 -0.773 20 0 GBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)S(C)(=O)=O ZINC000820778824 606831505 /nfs/dbraw/zinc/83/15/05/606831505.db2.gz XYGRBBFOQBVUJQ-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)S(C)(=O)=O ZINC000820778824 606831503 /nfs/dbraw/zinc/83/15/03/606831503.db2.gz XYGRBBFOQBVUJQ-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)S(C)(=O)=O ZINC000820778827 606831805 /nfs/dbraw/zinc/83/18/05/606831805.db2.gz XYGRBBFOQBVUJQ-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)S(C)(=O)=O ZINC000820778827 606831804 /nfs/dbraw/zinc/83/18/04/606831804.db2.gz XYGRBBFOQBVUJQ-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)S(C)(=O)=O ZINC000820778830 606831480 /nfs/dbraw/zinc/83/14/80/606831480.db2.gz XYGRBBFOQBVUJQ-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)S(C)(=O)=O ZINC000820778830 606831478 /nfs/dbraw/zinc/83/14/78/606831478.db2.gz XYGRBBFOQBVUJQ-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)S(C)(=O)=O ZINC000820778833 606831333 /nfs/dbraw/zinc/83/13/33/606831333.db2.gz XYGRBBFOQBVUJQ-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)S(C)(=O)=O ZINC000820778833 606831331 /nfs/dbraw/zinc/83/13/31/606831331.db2.gz XYGRBBFOQBVUJQ-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820783845 637996265 /nfs/dbraw/zinc/99/62/65/637996265.db2.gz OOXCAUJOKJOLNL-ZDUSSCGKSA-N -1 1 378.472 -0.419 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000820788189 606795478 /nfs/dbraw/zinc/79/54/78/606795478.db2.gz AAZVSMXTWWHSJU-GHMZBOCLSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000820788189 606795476 /nfs/dbraw/zinc/79/54/76/606795476.db2.gz AAZVSMXTWWHSJU-GHMZBOCLSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000820788190 606795509 /nfs/dbraw/zinc/79/55/09/606795509.db2.gz AAZVSMXTWWHSJU-MNOVXSKESA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000820788190 606795507 /nfs/dbraw/zinc/79/55/07/606795507.db2.gz AAZVSMXTWWHSJU-MNOVXSKESA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000820788191 606795676 /nfs/dbraw/zinc/79/56/76/606795676.db2.gz AAZVSMXTWWHSJU-QWRGUYRKSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000820788191 606795674 /nfs/dbraw/zinc/79/56/74/606795674.db2.gz AAZVSMXTWWHSJU-QWRGUYRKSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000820788192 606795531 /nfs/dbraw/zinc/79/55/31/606795531.db2.gz AAZVSMXTWWHSJU-WDEREUQCSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000820788192 606795530 /nfs/dbraw/zinc/79/55/30/606795530.db2.gz AAZVSMXTWWHSJU-WDEREUQCSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[S@@](C)=O ZINC000820788219 606792036 /nfs/dbraw/zinc/79/20/36/606792036.db2.gz AWKPACRJEJLHDO-AFNXNYLOSA-N -1 1 379.450 -0.745 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[S@@](C)=O ZINC000820788219 606792035 /nfs/dbraw/zinc/79/20/35/606792035.db2.gz AWKPACRJEJLHDO-AFNXNYLOSA-N -1 1 379.450 -0.745 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[S@@](C)=O ZINC000820788220 606792039 /nfs/dbraw/zinc/79/20/39/606792039.db2.gz AWKPACRJEJLHDO-RSNKEIGGSA-N -1 1 379.450 -0.745 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[S@@](C)=O ZINC000820788220 606792038 /nfs/dbraw/zinc/79/20/38/606792038.db2.gz AWKPACRJEJLHDO-RSNKEIGGSA-N -1 1 379.450 -0.745 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[S@](C)=O ZINC000820788221 606792409 /nfs/dbraw/zinc/79/24/09/606792409.db2.gz AWKPACRJEJLHDO-SKVICXGVSA-N -1 1 379.450 -0.745 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[S@](C)=O ZINC000820788221 606792407 /nfs/dbraw/zinc/79/24/07/606792407.db2.gz AWKPACRJEJLHDO-SKVICXGVSA-N -1 1 379.450 -0.745 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[S@](C)=O ZINC000820788222 606792239 /nfs/dbraw/zinc/79/22/39/606792239.db2.gz AWKPACRJEJLHDO-ZHZWEUQESA-N -1 1 379.450 -0.745 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[S@](C)=O ZINC000820788222 606792237 /nfs/dbraw/zinc/79/22/37/606792237.db2.gz AWKPACRJEJLHDO-ZHZWEUQESA-N -1 1 379.450 -0.745 20 0 GBADMM CC(C)S(=O)(=O)CCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820788293 606777416 /nfs/dbraw/zinc/77/74/16/606777416.db2.gz CHBOUOBNRGLOHH-GFCCVEGCSA-N -1 1 380.478 -0.010 20 0 GBADMM CC(C)S(=O)(=O)CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820788293 606777415 /nfs/dbraw/zinc/77/74/15/606777415.db2.gz CHBOUOBNRGLOHH-GFCCVEGCSA-N -1 1 380.478 -0.010 20 0 GBADMM CC(C)S(=O)(=O)CCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820788294 606777975 /nfs/dbraw/zinc/77/79/75/606777975.db2.gz CHBOUOBNRGLOHH-LBPRGKRZSA-N -1 1 380.478 -0.010 20 0 GBADMM CC(C)S(=O)(=O)CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820788294 606777973 /nfs/dbraw/zinc/77/79/73/606777973.db2.gz CHBOUOBNRGLOHH-LBPRGKRZSA-N -1 1 380.478 -0.010 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000820788337 606792533 /nfs/dbraw/zinc/79/25/33/606792533.db2.gz DPWVUSQKFPCJCE-GHMZBOCLSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000820788337 606792530 /nfs/dbraw/zinc/79/25/30/606792530.db2.gz DPWVUSQKFPCJCE-GHMZBOCLSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCN(C)C1=O ZINC000820788338 606792398 /nfs/dbraw/zinc/79/23/98/606792398.db2.gz DPWVUSQKFPCJCE-MNOVXSKESA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCN(C)C1=O ZINC000820788338 606792395 /nfs/dbraw/zinc/79/23/95/606792395.db2.gz DPWVUSQKFPCJCE-MNOVXSKESA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCN(C)C1=O ZINC000820788339 606792220 /nfs/dbraw/zinc/79/22/20/606792220.db2.gz DPWVUSQKFPCJCE-QWRGUYRKSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCN(C)C1=O ZINC000820788339 606792219 /nfs/dbraw/zinc/79/22/19/606792219.db2.gz DPWVUSQKFPCJCE-QWRGUYRKSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000820788340 606792290 /nfs/dbraw/zinc/79/22/90/606792290.db2.gz DPWVUSQKFPCJCE-WDEREUQCSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000820788340 606792288 /nfs/dbraw/zinc/79/22/88/606792288.db2.gz DPWVUSQKFPCJCE-WDEREUQCSA-N -1 1 386.420 -0.893 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000820788409 606820246 /nfs/dbraw/zinc/82/02/46/606820246.db2.gz GOXSYFNODCEIES-SECBINFHSA-N -1 1 382.388 -0.565 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000820788409 606820244 /nfs/dbraw/zinc/82/02/44/606820244.db2.gz GOXSYFNODCEIES-SECBINFHSA-N -1 1 382.388 -0.565 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000820788410 606820117 /nfs/dbraw/zinc/82/01/17/606820117.db2.gz GOXSYFNODCEIES-VIFPVBQESA-N -1 1 382.388 -0.565 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000820788410 606820115 /nfs/dbraw/zinc/82/01/15/606820115.db2.gz GOXSYFNODCEIES-VIFPVBQESA-N -1 1 382.388 -0.565 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC(=O)NC1CC1 ZINC000820788429 606777868 /nfs/dbraw/zinc/77/78/68/606777868.db2.gz GXXBWINJYMSPTO-JTQLQIEISA-N -1 1 386.420 -0.845 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC(=O)NC1CC1 ZINC000820788429 606777866 /nfs/dbraw/zinc/77/78/66/606777866.db2.gz GXXBWINJYMSPTO-JTQLQIEISA-N -1 1 386.420 -0.845 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC(=O)NC1CC1 ZINC000820788430 606777309 /nfs/dbraw/zinc/77/73/09/606777309.db2.gz GXXBWINJYMSPTO-SNVBAGLBSA-N -1 1 386.420 -0.845 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC(=O)NC1CC1 ZINC000820788430 606777308 /nfs/dbraw/zinc/77/73/08/606777308.db2.gz GXXBWINJYMSPTO-SNVBAGLBSA-N -1 1 386.420 -0.845 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cnn(C)c1 ZINC000820788513 606788469 /nfs/dbraw/zinc/78/84/69/606788469.db2.gz IROWASSBMIGCOD-LLVKDONJSA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cnn(C)c1 ZINC000820788513 606788467 /nfs/dbraw/zinc/78/84/67/606788467.db2.gz IROWASSBMIGCOD-LLVKDONJSA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cnn(C)c1 ZINC000820788514 606788224 /nfs/dbraw/zinc/78/82/24/606788224.db2.gz IROWASSBMIGCOD-NSHDSACASA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cnn(C)c1 ZINC000820788514 606788223 /nfs/dbraw/zinc/78/82/23/606788223.db2.gz IROWASSBMIGCOD-NSHDSACASA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccnn1C ZINC000820788567 606786729 /nfs/dbraw/zinc/78/67/29/606786729.db2.gz JQYXUTBHHAHETR-LLVKDONJSA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccnn1C ZINC000820788567 606786728 /nfs/dbraw/zinc/78/67/28/606786728.db2.gz JQYXUTBHHAHETR-LLVKDONJSA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccnn1C ZINC000820788568 606786723 /nfs/dbraw/zinc/78/67/23/606786723.db2.gz JQYXUTBHHAHETR-NSHDSACASA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccnn1C ZINC000820788568 606786722 /nfs/dbraw/zinc/78/67/22/606786722.db2.gz JQYXUTBHHAHETR-NSHDSACASA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2nnnn2c1 ZINC000820788639 606912222 /nfs/dbraw/zinc/91/22/22/606912222.db2.gz LFTRXHBNISTKRD-JTQLQIEISA-N -1 1 392.387 -0.555 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2nnnn2c1 ZINC000820788639 606912219 /nfs/dbraw/zinc/91/22/19/606912219.db2.gz LFTRXHBNISTKRD-JTQLQIEISA-N -1 1 392.387 -0.555 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2nnnn2c1 ZINC000820788640 606912581 /nfs/dbraw/zinc/91/25/81/606912581.db2.gz LFTRXHBNISTKRD-SNVBAGLBSA-N -1 1 392.387 -0.555 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2nnnn2c1 ZINC000820788640 606912580 /nfs/dbraw/zinc/91/25/80/606912580.db2.gz LFTRXHBNISTKRD-SNVBAGLBSA-N -1 1 392.387 -0.555 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1nccn1C ZINC000820788761 606792501 /nfs/dbraw/zinc/79/25/01/606792501.db2.gz NPVJJFKPRDIUTN-LLVKDONJSA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1nccn1C ZINC000820788761 606792499 /nfs/dbraw/zinc/79/24/99/606792499.db2.gz NPVJJFKPRDIUTN-LLVKDONJSA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1nccn1C ZINC000820788762 606792567 /nfs/dbraw/zinc/79/25/67/606792567.db2.gz NPVJJFKPRDIUTN-NSHDSACASA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1nccn1C ZINC000820788762 606792565 /nfs/dbraw/zinc/79/25/65/606792565.db2.gz NPVJJFKPRDIUTN-NSHDSACASA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCn1cncn1 ZINC000820788861 606788847 /nfs/dbraw/zinc/78/88/47/606788847.db2.gz PUAXNRSIPWSHQW-GFCCVEGCSA-N -1 1 398.435 -0.441 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCn1cncn1 ZINC000820788861 606788844 /nfs/dbraw/zinc/78/88/44/606788844.db2.gz PUAXNRSIPWSHQW-GFCCVEGCSA-N -1 1 398.435 -0.441 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCn1cncn1 ZINC000820788862 606788253 /nfs/dbraw/zinc/78/82/53/606788253.db2.gz PUAXNRSIPWSHQW-LBPRGKRZSA-N -1 1 398.435 -0.441 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCn1cncn1 ZINC000820788862 606788251 /nfs/dbraw/zinc/78/82/51/606788251.db2.gz PUAXNRSIPWSHQW-LBPRGKRZSA-N -1 1 398.435 -0.441 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1ccccn1 ZINC000820788879 606785243 /nfs/dbraw/zinc/78/52/43/606785243.db2.gz QEMHTZXZOANCEB-CYBMUJFWSA-N -1 1 394.443 -0.121 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1ccccn1 ZINC000820788879 606785242 /nfs/dbraw/zinc/78/52/42/606785242.db2.gz QEMHTZXZOANCEB-CYBMUJFWSA-N -1 1 394.443 -0.121 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1ccccn1 ZINC000820788880 606785168 /nfs/dbraw/zinc/78/51/68/606785168.db2.gz QEMHTZXZOANCEB-ZDUSSCGKSA-N -1 1 394.443 -0.121 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1ccccn1 ZINC000820788880 606785167 /nfs/dbraw/zinc/78/51/67/606785167.db2.gz QEMHTZXZOANCEB-ZDUSSCGKSA-N -1 1 394.443 -0.121 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1cnn(C)c1 ZINC000820788883 606788590 /nfs/dbraw/zinc/78/85/90/606788590.db2.gz QNPMVHRFZHCAKK-GFCCVEGCSA-N -1 1 397.447 -0.147 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1cnn(C)c1 ZINC000820788883 606788587 /nfs/dbraw/zinc/78/85/87/606788587.db2.gz QNPMVHRFZHCAKK-GFCCVEGCSA-N -1 1 397.447 -0.147 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1cnn(C)c1 ZINC000820788884 606788267 /nfs/dbraw/zinc/78/82/67/606788267.db2.gz QNPMVHRFZHCAKK-LBPRGKRZSA-N -1 1 397.447 -0.147 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1cnn(C)c1 ZINC000820788884 606788264 /nfs/dbraw/zinc/78/82/64/606788264.db2.gz QNPMVHRFZHCAKK-LBPRGKRZSA-N -1 1 397.447 -0.147 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCCCS(C)(=O)=O ZINC000820788887 607122990 /nfs/dbraw/zinc/12/29/90/607122990.db2.gz QQEDZHRVAAOGJA-GFCCVEGCSA-N -1 1 380.478 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCCCS(C)(=O)=O ZINC000820788887 607122988 /nfs/dbraw/zinc/12/29/88/607122988.db2.gz QQEDZHRVAAOGJA-GFCCVEGCSA-N -1 1 380.478 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCCCS(C)(=O)=O ZINC000820788888 607122925 /nfs/dbraw/zinc/12/29/25/607122925.db2.gz QQEDZHRVAAOGJA-LBPRGKRZSA-N -1 1 380.478 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCCCS(C)(=O)=O ZINC000820788888 607122923 /nfs/dbraw/zinc/12/29/23/607122923.db2.gz QQEDZHRVAAOGJA-LBPRGKRZSA-N -1 1 380.478 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCn1cncn1 ZINC000820788889 606792312 /nfs/dbraw/zinc/79/23/12/606792312.db2.gz QQXPEYOXHFROSD-LLVKDONJSA-N -1 1 384.408 -0.832 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCn1cncn1 ZINC000820788889 606792310 /nfs/dbraw/zinc/79/23/10/606792310.db2.gz QQXPEYOXHFROSD-LLVKDONJSA-N -1 1 384.408 -0.832 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCn1cncn1 ZINC000820788890 606792578 /nfs/dbraw/zinc/79/25/78/606792578.db2.gz QQXPEYOXHFROSD-NSHDSACASA-N -1 1 384.408 -0.832 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCn1cncn1 ZINC000820788890 606792576 /nfs/dbraw/zinc/79/25/76/606792576.db2.gz QQXPEYOXHFROSD-NSHDSACASA-N -1 1 384.408 -0.832 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCn1cccn1 ZINC000820788943 606794099 /nfs/dbraw/zinc/79/40/99/606794099.db2.gz RTEHTMFWHLIIIC-GFCCVEGCSA-N -1 1 383.420 -0.227 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCn1cccn1 ZINC000820788943 606794097 /nfs/dbraw/zinc/79/40/97/606794097.db2.gz RTEHTMFWHLIIIC-GFCCVEGCSA-N -1 1 383.420 -0.227 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCn1cccn1 ZINC000820788944 606793901 /nfs/dbraw/zinc/79/39/01/606793901.db2.gz RTEHTMFWHLIIIC-LBPRGKRZSA-N -1 1 383.420 -0.227 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCn1cccn1 ZINC000820788944 606793898 /nfs/dbraw/zinc/79/38/98/606793898.db2.gz RTEHTMFWHLIIIC-LBPRGKRZSA-N -1 1 383.420 -0.227 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC1CCOCC1 ZINC000820788991 606781904 /nfs/dbraw/zinc/78/19/04/606781904.db2.gz STVYWNYRDCHHBO-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC1CCOCC1 ZINC000820788991 606781903 /nfs/dbraw/zinc/78/19/03/606781903.db2.gz STVYWNYRDCHHBO-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC1CCOCC1 ZINC000820788992 606782323 /nfs/dbraw/zinc/78/23/23/606782323.db2.gz STVYWNYRDCHHBO-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC1CCOCC1 ZINC000820788992 606782321 /nfs/dbraw/zinc/78/23/21/606782321.db2.gz STVYWNYRDCHHBO-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC[S@](=O)C1 ZINC000820788995 606811084 /nfs/dbraw/zinc/81/10/84/606811084.db2.gz SWBLCUOMOBTGNJ-GSEQWSPDSA-N -1 1 391.461 -0.602 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC[S@](=O)C1 ZINC000820788995 606811083 /nfs/dbraw/zinc/81/10/83/606811083.db2.gz SWBLCUOMOBTGNJ-GSEQWSPDSA-N -1 1 391.461 -0.602 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000820788996 606811090 /nfs/dbraw/zinc/81/10/90/606811090.db2.gz SWBLCUOMOBTGNJ-ISTLGGKUSA-N -1 1 391.461 -0.602 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000820788996 606811089 /nfs/dbraw/zinc/81/10/89/606811089.db2.gz SWBLCUOMOBTGNJ-ISTLGGKUSA-N -1 1 391.461 -0.602 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000820788997 606811107 /nfs/dbraw/zinc/81/11/07/606811107.db2.gz SWBLCUOMOBTGNJ-SRZUTIMKSA-N -1 1 391.461 -0.602 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000820788997 606811106 /nfs/dbraw/zinc/81/11/06/606811106.db2.gz SWBLCUOMOBTGNJ-SRZUTIMKSA-N -1 1 391.461 -0.602 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000820788998 606810656 /nfs/dbraw/zinc/81/06/56/606810656.db2.gz SWBLCUOMOBTGNJ-WSJJBZPDSA-N -1 1 391.461 -0.602 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000820788998 606810654 /nfs/dbraw/zinc/81/06/54/606810654.db2.gz SWBLCUOMOBTGNJ-WSJJBZPDSA-N -1 1 391.461 -0.602 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1COCCO1 ZINC000820789011 606788389 /nfs/dbraw/zinc/78/83/89/606788389.db2.gz TYBFZYBWRPYAJP-NEPJUHHUSA-N -1 1 389.420 -0.708 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1COCCO1 ZINC000820789011 606788387 /nfs/dbraw/zinc/78/83/87/606788387.db2.gz TYBFZYBWRPYAJP-NEPJUHHUSA-N -1 1 389.420 -0.708 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1COCCO1 ZINC000820789012 606788869 /nfs/dbraw/zinc/78/88/69/606788869.db2.gz TYBFZYBWRPYAJP-NWDGAFQWSA-N -1 1 389.420 -0.708 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1COCCO1 ZINC000820789012 606788867 /nfs/dbraw/zinc/78/88/67/606788867.db2.gz TYBFZYBWRPYAJP-NWDGAFQWSA-N -1 1 389.420 -0.708 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1COCCO1 ZINC000820789013 606788610 /nfs/dbraw/zinc/78/86/10/606788610.db2.gz TYBFZYBWRPYAJP-RYUDHWBXSA-N -1 1 389.420 -0.708 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1COCCO1 ZINC000820789013 606788607 /nfs/dbraw/zinc/78/86/07/606788607.db2.gz TYBFZYBWRPYAJP-RYUDHWBXSA-N -1 1 389.420 -0.708 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1COCCO1 ZINC000820789014 606788758 /nfs/dbraw/zinc/78/87/58/606788758.db2.gz TYBFZYBWRPYAJP-VXGBXAGGSA-N -1 1 389.420 -0.708 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1COCCO1 ZINC000820789014 606788756 /nfs/dbraw/zinc/78/87/56/606788756.db2.gz TYBFZYBWRPYAJP-VXGBXAGGSA-N -1 1 389.420 -0.708 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccn(C)c1=O ZINC000820789015 606820160 /nfs/dbraw/zinc/82/01/60/606820160.db2.gz TYPYGGNNFMMZEN-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccn(C)c1=O ZINC000820789015 606820158 /nfs/dbraw/zinc/82/01/58/606820158.db2.gz TYPYGGNNFMMZEN-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccn(C)c1=O ZINC000820789016 606820009 /nfs/dbraw/zinc/82/00/09/606820009.db2.gz TYPYGGNNFMMZEN-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccn(C)c1=O ZINC000820789016 606820008 /nfs/dbraw/zinc/82/00/08/606820008.db2.gz TYPYGGNNFMMZEN-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC[C@H]1CCCO1 ZINC000820789047 606852784 /nfs/dbraw/zinc/85/27/84/606852784.db2.gz UJJCLBDLSYORAL-CHWSQXEVSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC[C@H]1CCCO1 ZINC000820789047 606852782 /nfs/dbraw/zinc/85/27/82/606852782.db2.gz UJJCLBDLSYORAL-CHWSQXEVSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC[C@@H]1CCCO1 ZINC000820789048 606853049 /nfs/dbraw/zinc/85/30/49/606853049.db2.gz UJJCLBDLSYORAL-OLZOCXBDSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC[C@@H]1CCCO1 ZINC000820789048 606853048 /nfs/dbraw/zinc/85/30/48/606853048.db2.gz UJJCLBDLSYORAL-OLZOCXBDSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC[C@H]1CCCO1 ZINC000820789049 606852598 /nfs/dbraw/zinc/85/25/98/606852598.db2.gz UJJCLBDLSYORAL-QWHCGFSZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC[C@H]1CCCO1 ZINC000820789049 606852596 /nfs/dbraw/zinc/85/25/96/606852596.db2.gz UJJCLBDLSYORAL-QWHCGFSZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC[C@@H]1CCCO1 ZINC000820789050 606853000 /nfs/dbraw/zinc/85/30/00/606853000.db2.gz UJJCLBDLSYORAL-STQMWFEESA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC[C@@H]1CCCO1 ZINC000820789050 606852999 /nfs/dbraw/zinc/85/29/99/606852999.db2.gz UJJCLBDLSYORAL-STQMWFEESA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCC(=O)N(C)C ZINC000820789079 606764632 /nfs/dbraw/zinc/76/46/32/606764632.db2.gz VJBOUACNAAFTLI-JTQLQIEISA-N -1 1 390.477 -0.870 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCC(=O)N(C)C ZINC000820789079 606764631 /nfs/dbraw/zinc/76/46/31/606764631.db2.gz VJBOUACNAAFTLI-JTQLQIEISA-N -1 1 390.477 -0.870 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCC(=O)N(C)C ZINC000820789080 606764692 /nfs/dbraw/zinc/76/46/92/606764692.db2.gz VJBOUACNAAFTLI-SNVBAGLBSA-N -1 1 390.477 -0.870 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCC(=O)N(C)C ZINC000820789080 606764691 /nfs/dbraw/zinc/76/46/91/606764691.db2.gz VJBOUACNAAFTLI-SNVBAGLBSA-N -1 1 390.477 -0.870 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC000820789093 606825271 /nfs/dbraw/zinc/82/52/71/606825271.db2.gz VKRRNCNTKNHZHL-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC000820789093 606825270 /nfs/dbraw/zinc/82/52/70/606825270.db2.gz VKRRNCNTKNHZHL-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC000820789094 606825585 /nfs/dbraw/zinc/82/55/85/606825585.db2.gz VKRRNCNTKNHZHL-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC000820789094 606825584 /nfs/dbraw/zinc/82/55/84/606825584.db2.gz VKRRNCNTKNHZHL-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCn1ccnc1 ZINC000820789147 606762785 /nfs/dbraw/zinc/76/27/85/606762785.db2.gz WKVDWHPTCXPXAZ-GFCCVEGCSA-N -1 1 383.420 -0.227 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCn1ccnc1 ZINC000820789147 606762783 /nfs/dbraw/zinc/76/27/83/606762783.db2.gz WKVDWHPTCXPXAZ-GFCCVEGCSA-N -1 1 383.420 -0.227 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCn1ccnc1 ZINC000820789148 606763051 /nfs/dbraw/zinc/76/30/51/606763051.db2.gz WKVDWHPTCXPXAZ-LBPRGKRZSA-N -1 1 383.420 -0.227 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCn1ccnc1 ZINC000820789148 606763050 /nfs/dbraw/zinc/76/30/50/606763050.db2.gz WKVDWHPTCXPXAZ-LBPRGKRZSA-N -1 1 383.420 -0.227 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC(=O)N(C)C ZINC000820789175 606794024 /nfs/dbraw/zinc/79/40/24/606794024.db2.gz WZQMDAJURJMGHJ-LLVKDONJSA-N -1 1 388.436 -0.645 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC(=O)N(C)C ZINC000820789175 606794022 /nfs/dbraw/zinc/79/40/22/606794022.db2.gz WZQMDAJURJMGHJ-LLVKDONJSA-N -1 1 388.436 -0.645 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC(=O)N(C)C ZINC000820789176 606794399 /nfs/dbraw/zinc/79/43/99/606794399.db2.gz WZQMDAJURJMGHJ-NSHDSACASA-N -1 1 388.436 -0.645 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC(=O)N(C)C ZINC000820789176 606794398 /nfs/dbraw/zinc/79/43/98/606794398.db2.gz WZQMDAJURJMGHJ-NSHDSACASA-N -1 1 388.436 -0.645 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC000820789177 606823749 /nfs/dbraw/zinc/82/37/49/606823749.db2.gz WZSSNPGCIFZUKQ-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC000820789177 606823747 /nfs/dbraw/zinc/82/37/47/606823747.db2.gz WZSSNPGCIFZUKQ-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC000820789178 606823814 /nfs/dbraw/zinc/82/38/14/606823814.db2.gz WZSSNPGCIFZUKQ-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC000820789178 606823812 /nfs/dbraw/zinc/82/38/12/606823812.db2.gz WZSSNPGCIFZUKQ-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000820789189 606831783 /nfs/dbraw/zinc/83/17/83/606831783.db2.gz XILVIPXFWJTVOT-SECBINFHSA-N -1 1 382.388 -0.565 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000820789189 606831782 /nfs/dbraw/zinc/83/17/82/606831782.db2.gz XILVIPXFWJTVOT-SECBINFHSA-N -1 1 382.388 -0.565 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000820789190 606831623 /nfs/dbraw/zinc/83/16/23/606831623.db2.gz XILVIPXFWJTVOT-VIFPVBQESA-N -1 1 382.388 -0.565 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000820789190 606831621 /nfs/dbraw/zinc/83/16/21/606831621.db2.gz XILVIPXFWJTVOT-VIFPVBQESA-N -1 1 382.388 -0.565 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCC(F)(F)F ZINC000820789193 606782016 /nfs/dbraw/zinc/78/20/16/606782016.db2.gz XLYZTPAUBRYRKY-SECBINFHSA-N -1 1 385.354 -0.154 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCC(F)(F)F ZINC000820789193 606782015 /nfs/dbraw/zinc/78/20/15/606782015.db2.gz XLYZTPAUBRYRKY-SECBINFHSA-N -1 1 385.354 -0.154 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCC(F)(F)F ZINC000820789194 606782315 /nfs/dbraw/zinc/78/23/15/606782315.db2.gz XLYZTPAUBRYRKY-VIFPVBQESA-N -1 1 385.354 -0.154 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCC(F)(F)F ZINC000820789194 606782313 /nfs/dbraw/zinc/78/23/13/606782313.db2.gz XLYZTPAUBRYRKY-VIFPVBQESA-N -1 1 385.354 -0.154 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1cccnc1 ZINC000820789211 606780325 /nfs/dbraw/zinc/78/03/25/606780325.db2.gz XZXGOSXPDNXDJM-CYBMUJFWSA-N -1 1 394.443 -0.121 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1cccnc1 ZINC000820789211 606780324 /nfs/dbraw/zinc/78/03/24/606780324.db2.gz XZXGOSXPDNXDJM-CYBMUJFWSA-N -1 1 394.443 -0.121 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1cccnc1 ZINC000820789212 606780441 /nfs/dbraw/zinc/78/04/41/606780441.db2.gz XZXGOSXPDNXDJM-ZDUSSCGKSA-N -1 1 394.443 -0.121 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1cccnc1 ZINC000820789212 606780440 /nfs/dbraw/zinc/78/04/40/606780440.db2.gz XZXGOSXPDNXDJM-ZDUSSCGKSA-N -1 1 394.443 -0.121 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000820789215 606831663 /nfs/dbraw/zinc/83/16/63/606831663.db2.gz YCQDYAYZFJFMPK-JTQLQIEISA-N -1 1 394.399 -0.499 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000820789215 606831661 /nfs/dbraw/zinc/83/16/61/606831661.db2.gz YCQDYAYZFJFMPK-JTQLQIEISA-N -1 1 394.399 -0.499 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000820789216 606831403 /nfs/dbraw/zinc/83/14/03/606831403.db2.gz YCQDYAYZFJFMPK-SNVBAGLBSA-N -1 1 394.399 -0.499 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000820789216 606831401 /nfs/dbraw/zinc/83/14/01/606831401.db2.gz YCQDYAYZFJFMPK-SNVBAGLBSA-N -1 1 394.399 -0.499 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1nncs1 ZINC000820789253 606782074 /nfs/dbraw/zinc/78/20/74/606782074.db2.gz YUQUAJJNKGETTJ-SECBINFHSA-N -1 1 387.433 -0.343 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1nncs1 ZINC000820789253 606782072 /nfs/dbraw/zinc/78/20/72/606782072.db2.gz YUQUAJJNKGETTJ-SECBINFHSA-N -1 1 387.433 -0.343 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1nncs1 ZINC000820789254 606782267 /nfs/dbraw/zinc/78/22/67/606782267.db2.gz YUQUAJJNKGETTJ-VIFPVBQESA-N -1 1 387.433 -0.343 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1nncs1 ZINC000820789254 606782265 /nfs/dbraw/zinc/78/22/65/606782265.db2.gz YUQUAJJNKGETTJ-VIFPVBQESA-N -1 1 387.433 -0.343 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(N)=O)cn1C ZINC000820789267 606831574 /nfs/dbraw/zinc/83/15/74/606831574.db2.gz ZFACRVAQBZDWAK-JTQLQIEISA-N -1 1 396.415 -0.555 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(N)=O)cn1C ZINC000820789267 606831572 /nfs/dbraw/zinc/83/15/72/606831572.db2.gz ZFACRVAQBZDWAK-JTQLQIEISA-N -1 1 396.415 -0.555 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(N)=O)cn1C ZINC000820789268 606831563 /nfs/dbraw/zinc/83/15/63/606831563.db2.gz ZFACRVAQBZDWAK-SNVBAGLBSA-N -1 1 396.415 -0.555 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(N)=O)cn1C ZINC000820789268 606831561 /nfs/dbraw/zinc/83/15/61/606831561.db2.gz ZFACRVAQBZDWAK-SNVBAGLBSA-N -1 1 396.415 -0.555 20 0 GBADMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1=O ZINC000820791535 637997482 /nfs/dbraw/zinc/99/74/82/637997482.db2.gz VWJRJROAXJIEHD-GFCCVEGCSA-N -1 1 393.462 -0.258 20 0 GBADMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H]1CCN(c2ccccc2F)C1=O ZINC000820791536 637997567 /nfs/dbraw/zinc/99/75/67/637997567.db2.gz VWJRJROAXJIEHD-LBPRGKRZSA-N -1 1 393.462 -0.258 20 0 GBADMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000820794880 637997642 /nfs/dbraw/zinc/99/76/42/637997642.db2.gz MLTJXJPLRSTJGE-LLVKDONJSA-N -1 1 382.485 -0.674 20 0 GBADMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H]1CS(=O)(=O)c2ccccc21 ZINC000820794881 637997551 /nfs/dbraw/zinc/99/75/51/637997551.db2.gz MLTJXJPLRSTJGE-NSHDSACASA-N -1 1 382.485 -0.674 20 0 GBADMM Cc1nn(C)c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C(F)(F)F ZINC000820797304 637998278 /nfs/dbraw/zinc/99/82/78/637998278.db2.gz JAXKEYSYSACLPU-UHFFFAOYSA-N -1 1 381.336 -0.054 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(N)nc(N(C)C)n1 ZINC000820803481 606778917 /nfs/dbraw/zinc/77/89/17/606778917.db2.gz ASQMHGZCPMAANM-JTQLQIEISA-N -1 1 397.451 -0.799 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(N)nc(N(C)C)n1 ZINC000820803481 606778915 /nfs/dbraw/zinc/77/89/15/606778915.db2.gz ASQMHGZCPMAANM-JTQLQIEISA-N -1 1 397.451 -0.799 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(N)nc(N(C)C)n1 ZINC000820803482 606780867 /nfs/dbraw/zinc/78/08/67/606780867.db2.gz ASQMHGZCPMAANM-SNVBAGLBSA-N -1 1 397.451 -0.799 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(N)nc(N(C)C)n1 ZINC000820803482 606780865 /nfs/dbraw/zinc/78/08/65/606780865.db2.gz ASQMHGZCPMAANM-SNVBAGLBSA-N -1 1 397.451 -0.799 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C(=O)CC(C)(C)C1=O ZINC000820803698 606769221 /nfs/dbraw/zinc/76/92/21/606769221.db2.gz FOZXWGCWYCZHAJ-LLVKDONJSA-N -1 1 385.432 -0.090 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C(=O)CC(C)(C)C1=O ZINC000820803698 606769220 /nfs/dbraw/zinc/76/92/20/606769220.db2.gz FOZXWGCWYCZHAJ-LLVKDONJSA-N -1 1 385.432 -0.090 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C(=O)CC(C)(C)C1=O ZINC000820803699 606769218 /nfs/dbraw/zinc/76/92/18/606769218.db2.gz FOZXWGCWYCZHAJ-NSHDSACASA-N -1 1 385.432 -0.090 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C(=O)CC(C)(C)C1=O ZINC000820803699 606769217 /nfs/dbraw/zinc/76/92/17/606769217.db2.gz FOZXWGCWYCZHAJ-NSHDSACASA-N -1 1 385.432 -0.090 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1cccnc1 ZINC000820803724 606848087 /nfs/dbraw/zinc/84/80/87/606848087.db2.gz GJFLYLFEGUDOCF-LLVKDONJSA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1cccnc1 ZINC000820803724 606848086 /nfs/dbraw/zinc/84/80/86/606848086.db2.gz GJFLYLFEGUDOCF-LLVKDONJSA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1cccnc1 ZINC000820803725 606847976 /nfs/dbraw/zinc/84/79/76/606847976.db2.gz GJFLYLFEGUDOCF-NSHDSACASA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1cccnc1 ZINC000820803725 606847975 /nfs/dbraw/zinc/84/79/75/606847975.db2.gz GJFLYLFEGUDOCF-NSHDSACASA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@]2(CCOC2)CC1=O ZINC000820803784 606769120 /nfs/dbraw/zinc/76/91/20/606769120.db2.gz HDHIETIXOGYDFA-ACJLOTCBSA-N -1 1 399.459 -0.236 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@]2(CCOC2)CC1=O ZINC000820803784 606769117 /nfs/dbraw/zinc/76/91/17/606769117.db2.gz HDHIETIXOGYDFA-ACJLOTCBSA-N -1 1 399.459 -0.236 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@@]2(CCOC2)CC1=O ZINC000820803785 606769095 /nfs/dbraw/zinc/76/90/95/606769095.db2.gz HDHIETIXOGYDFA-FZKQIMNGSA-N -1 1 399.459 -0.236 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@@]2(CCOC2)CC1=O ZINC000820803785 606769094 /nfs/dbraw/zinc/76/90/94/606769094.db2.gz HDHIETIXOGYDFA-FZKQIMNGSA-N -1 1 399.459 -0.236 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@@]2(CCOC2)CC1=O ZINC000820803786 606769083 /nfs/dbraw/zinc/76/90/83/606769083.db2.gz HDHIETIXOGYDFA-SCLBCKFNSA-N -1 1 399.459 -0.236 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@@]2(CCOC2)CC1=O ZINC000820803786 606769081 /nfs/dbraw/zinc/76/90/81/606769081.db2.gz HDHIETIXOGYDFA-SCLBCKFNSA-N -1 1 399.459 -0.236 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@]2(CCOC2)CC1=O ZINC000820803787 606768902 /nfs/dbraw/zinc/76/89/02/606768902.db2.gz HDHIETIXOGYDFA-UGSOOPFHSA-N -1 1 399.459 -0.236 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@]2(CCOC2)CC1=O ZINC000820803787 606768900 /nfs/dbraw/zinc/76/89/00/606768900.db2.gz HDHIETIXOGYDFA-UGSOOPFHSA-N -1 1 399.459 -0.236 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1cn(C)cn1 ZINC000820804027 606847798 /nfs/dbraw/zinc/84/77/98/606847798.db2.gz LMBREVPTIMFXBZ-JTQLQIEISA-N -1 1 390.433 -0.710 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1cn(C)cn1 ZINC000820804027 606847796 /nfs/dbraw/zinc/84/77/96/606847796.db2.gz LMBREVPTIMFXBZ-JTQLQIEISA-N -1 1 390.433 -0.710 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1cn(C)cn1 ZINC000820804028 606848083 /nfs/dbraw/zinc/84/80/83/606848083.db2.gz LMBREVPTIMFXBZ-SNVBAGLBSA-N -1 1 390.433 -0.710 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1cn(C)cn1 ZINC000820804028 606848081 /nfs/dbraw/zinc/84/80/81/606848081.db2.gz LMBREVPTIMFXBZ-SNVBAGLBSA-N -1 1 390.433 -0.710 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N1CCCC1 ZINC000820804079 606848012 /nfs/dbraw/zinc/84/80/12/606848012.db2.gz MICGKXTUUOFGGX-LLVKDONJSA-N -1 1 379.450 -0.492 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N1CCCC1 ZINC000820804079 606848011 /nfs/dbraw/zinc/84/80/11/606848011.db2.gz MICGKXTUUOFGGX-LLVKDONJSA-N -1 1 379.450 -0.492 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N1CCCC1 ZINC000820804080 606847836 /nfs/dbraw/zinc/84/78/36/606847836.db2.gz MICGKXTUUOFGGX-NSHDSACASA-N -1 1 379.450 -0.492 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N1CCCC1 ZINC000820804080 606847834 /nfs/dbraw/zinc/84/78/34/606847834.db2.gz MICGKXTUUOFGGX-NSHDSACASA-N -1 1 379.450 -0.492 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000820804089 606847928 /nfs/dbraw/zinc/84/79/28/606847928.db2.gz MMYXCQCZWOZYQJ-NEPJUHHUSA-N -1 1 394.461 -0.324 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000820804089 606847927 /nfs/dbraw/zinc/84/79/27/606847927.db2.gz MMYXCQCZWOZYQJ-NEPJUHHUSA-N -1 1 394.461 -0.324 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000820804090 606848132 /nfs/dbraw/zinc/84/81/32/606848132.db2.gz MMYXCQCZWOZYQJ-NWDGAFQWSA-N -1 1 394.461 -0.324 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000820804090 606848130 /nfs/dbraw/zinc/84/81/30/606848130.db2.gz MMYXCQCZWOZYQJ-NWDGAFQWSA-N -1 1 394.461 -0.324 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000820804091 606847892 /nfs/dbraw/zinc/84/78/92/606847892.db2.gz MMYXCQCZWOZYQJ-RYUDHWBXSA-N -1 1 394.461 -0.324 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000820804091 606847891 /nfs/dbraw/zinc/84/78/91/606847891.db2.gz MMYXCQCZWOZYQJ-RYUDHWBXSA-N -1 1 394.461 -0.324 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000820804092 606847916 /nfs/dbraw/zinc/84/79/16/606847916.db2.gz MMYXCQCZWOZYQJ-VXGBXAGGSA-N -1 1 394.461 -0.324 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000820804092 606847915 /nfs/dbraw/zinc/84/79/15/606847915.db2.gz MMYXCQCZWOZYQJ-VXGBXAGGSA-N -1 1 394.461 -0.324 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N(C)CC1CC1 ZINC000820804097 606848115 /nfs/dbraw/zinc/84/81/15/606848115.db2.gz MOFOYDICNASVEB-LLVKDONJSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N(C)CC1CC1 ZINC000820804097 606848113 /nfs/dbraw/zinc/84/81/13/606848113.db2.gz MOFOYDICNASVEB-LLVKDONJSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N(C)CC1CC1 ZINC000820804098 606847901 /nfs/dbraw/zinc/84/79/01/606847901.db2.gz MOFOYDICNASVEB-NSHDSACASA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N(C)CC1CC1 ZINC000820804098 606847900 /nfs/dbraw/zinc/84/79/00/606847900.db2.gz MOFOYDICNASVEB-NSHDSACASA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1cnn(C)c1 ZINC000820804145 606847824 /nfs/dbraw/zinc/84/78/24/606847824.db2.gz NDSSQZOOUKRERQ-JTQLQIEISA-N -1 1 390.433 -0.710 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1cnn(C)c1 ZINC000820804145 606847822 /nfs/dbraw/zinc/84/78/22/606847822.db2.gz NDSSQZOOUKRERQ-JTQLQIEISA-N -1 1 390.433 -0.710 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1cnn(C)c1 ZINC000820804146 606848061 /nfs/dbraw/zinc/84/80/61/606848061.db2.gz NDSSQZOOUKRERQ-SNVBAGLBSA-N -1 1 390.433 -0.710 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1cnn(C)c1 ZINC000820804146 606848060 /nfs/dbraw/zinc/84/80/60/606848060.db2.gz NDSSQZOOUKRERQ-SNVBAGLBSA-N -1 1 390.433 -0.710 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N1CCCCC1 ZINC000820804182 606848077 /nfs/dbraw/zinc/84/80/77/606848077.db2.gz NTGZONSBZHRBKI-GFCCVEGCSA-N -1 1 393.477 -0.102 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N1CCCCC1 ZINC000820804182 606848075 /nfs/dbraw/zinc/84/80/75/606848075.db2.gz NTGZONSBZHRBKI-GFCCVEGCSA-N -1 1 393.477 -0.102 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N1CCCCC1 ZINC000820804183 606847952 /nfs/dbraw/zinc/84/79/52/606847952.db2.gz NTGZONSBZHRBKI-LBPRGKRZSA-N -1 1 393.477 -0.102 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N1CCCCC1 ZINC000820804183 606847951 /nfs/dbraw/zinc/84/79/51/606847951.db2.gz NTGZONSBZHRBKI-LBPRGKRZSA-N -1 1 393.477 -0.102 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1c[nH]cn1 ZINC000820804434 606848098 /nfs/dbraw/zinc/84/80/98/606848098.db2.gz SIIFJJODDHUVPX-SECBINFHSA-N -1 1 376.406 -0.721 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1c[nH]cn1 ZINC000820804434 606848096 /nfs/dbraw/zinc/84/80/96/606848096.db2.gz SIIFJJODDHUVPX-SECBINFHSA-N -1 1 376.406 -0.721 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1c[nH]cn1 ZINC000820804435 606847967 /nfs/dbraw/zinc/84/79/67/606847967.db2.gz SIIFJJODDHUVPX-VIFPVBQESA-N -1 1 376.406 -0.721 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1c[nH]cn1 ZINC000820804435 606847966 /nfs/dbraw/zinc/84/79/66/606847966.db2.gz SIIFJJODDHUVPX-VIFPVBQESA-N -1 1 376.406 -0.721 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000820804461 606847994 /nfs/dbraw/zinc/84/79/94/606847994.db2.gz SPSQJBPWYMJJPJ-NEPJUHHUSA-N -1 1 394.461 -0.467 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000820804461 606847993 /nfs/dbraw/zinc/84/79/93/606847993.db2.gz SPSQJBPWYMJJPJ-NEPJUHHUSA-N -1 1 394.461 -0.467 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000820804462 606848206 /nfs/dbraw/zinc/84/82/06/606848206.db2.gz SPSQJBPWYMJJPJ-NWDGAFQWSA-N -1 1 394.461 -0.467 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000820804462 606848204 /nfs/dbraw/zinc/84/82/04/606848204.db2.gz SPSQJBPWYMJJPJ-NWDGAFQWSA-N -1 1 394.461 -0.467 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000820804463 606848126 /nfs/dbraw/zinc/84/81/26/606848126.db2.gz SPSQJBPWYMJJPJ-RYUDHWBXSA-N -1 1 394.461 -0.467 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000820804463 606848125 /nfs/dbraw/zinc/84/81/25/606848125.db2.gz SPSQJBPWYMJJPJ-RYUDHWBXSA-N -1 1 394.461 -0.467 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000820804464 606847964 /nfs/dbraw/zinc/84/79/64/606847964.db2.gz SPSQJBPWYMJJPJ-VXGBXAGGSA-N -1 1 394.461 -0.467 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000820804464 606847963 /nfs/dbraw/zinc/84/79/63/606847963.db2.gz SPSQJBPWYMJJPJ-VXGBXAGGSA-N -1 1 394.461 -0.467 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)[C@@H]1CCOC1 ZINC000820804546 606847907 /nfs/dbraw/zinc/84/79/07/606847907.db2.gz UOESJENLSKEWNO-GHMZBOCLSA-N -1 1 380.434 -0.714 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)[C@@H]1CCOC1 ZINC000820804546 606847906 /nfs/dbraw/zinc/84/79/06/606847906.db2.gz UOESJENLSKEWNO-GHMZBOCLSA-N -1 1 380.434 -0.714 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)[C@H]1CCOC1 ZINC000820804547 606848036 /nfs/dbraw/zinc/84/80/36/606848036.db2.gz UOESJENLSKEWNO-MNOVXSKESA-N -1 1 380.434 -0.714 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)[C@H]1CCOC1 ZINC000820804547 606848035 /nfs/dbraw/zinc/84/80/35/606848035.db2.gz UOESJENLSKEWNO-MNOVXSKESA-N -1 1 380.434 -0.714 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)[C@H]1CCOC1 ZINC000820804548 606847895 /nfs/dbraw/zinc/84/78/95/606847895.db2.gz UOESJENLSKEWNO-QWRGUYRKSA-N -1 1 380.434 -0.714 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)[C@H]1CCOC1 ZINC000820804548 606847894 /nfs/dbraw/zinc/84/78/94/606847894.db2.gz UOESJENLSKEWNO-QWRGUYRKSA-N -1 1 380.434 -0.714 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)[C@@H]1CCOC1 ZINC000820804549 606847958 /nfs/dbraw/zinc/84/79/58/606847958.db2.gz UOESJENLSKEWNO-WDEREUQCSA-N -1 1 380.434 -0.714 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)[C@@H]1CCOC1 ZINC000820804549 606847957 /nfs/dbraw/zinc/84/79/57/606847957.db2.gz UOESJENLSKEWNO-WDEREUQCSA-N -1 1 380.434 -0.714 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1nc2ccccn2c1=O ZINC000820804695 606769555 /nfs/dbraw/zinc/76/95/55/606769555.db2.gz XPYGWWIRWBHNDJ-GFCCVEGCSA-N -1 1 393.415 -0.366 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1nc2ccccn2c1=O ZINC000820804695 606769553 /nfs/dbraw/zinc/76/95/53/606769553.db2.gz XPYGWWIRWBHNDJ-GFCCVEGCSA-N -1 1 393.415 -0.366 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1nc2ccccn2c1=O ZINC000820804696 606769652 /nfs/dbraw/zinc/76/96/52/606769652.db2.gz XPYGWWIRWBHNDJ-LBPRGKRZSA-N -1 1 393.415 -0.366 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1nc2ccccn2c1=O ZINC000820804696 606769650 /nfs/dbraw/zinc/76/96/50/606769650.db2.gz XPYGWWIRWBHNDJ-LBPRGKRZSA-N -1 1 393.415 -0.366 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N(C)C1CC1 ZINC000820804703 606847886 /nfs/dbraw/zinc/84/78/86/606847886.db2.gz XSZDAMLAWSBROK-JTQLQIEISA-N -1 1 379.450 -0.494 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N(C)C1CC1 ZINC000820804703 606847885 /nfs/dbraw/zinc/84/78/85/606847885.db2.gz XSZDAMLAWSBROK-JTQLQIEISA-N -1 1 379.450 -0.494 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N(C)C1CC1 ZINC000820804704 606848194 /nfs/dbraw/zinc/84/81/94/606848194.db2.gz XSZDAMLAWSBROK-SNVBAGLBSA-N -1 1 379.450 -0.494 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N(C)C1CC1 ZINC000820804704 606848192 /nfs/dbraw/zinc/84/81/92/606848192.db2.gz XSZDAMLAWSBROK-SNVBAGLBSA-N -1 1 379.450 -0.494 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)Cc1ccon1 ZINC000820804822 606847830 /nfs/dbraw/zinc/84/78/30/606847830.db2.gz ZZHOXNPTJBEOHK-JTQLQIEISA-N -1 1 391.417 -0.315 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)Cc1ccon1 ZINC000820804822 606847828 /nfs/dbraw/zinc/84/78/28/606847828.db2.gz ZZHOXNPTJBEOHK-JTQLQIEISA-N -1 1 391.417 -0.315 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)Cc1ccon1 ZINC000820804823 606847898 /nfs/dbraw/zinc/84/78/98/606847898.db2.gz ZZHOXNPTJBEOHK-SNVBAGLBSA-N -1 1 391.417 -0.315 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)Cc1ccon1 ZINC000820804823 606847897 /nfs/dbraw/zinc/84/78/97/606847897.db2.gz ZZHOXNPTJBEOHK-SNVBAGLBSA-N -1 1 391.417 -0.315 20 0 GBADMM CCC(=O)N1CC[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820832103 607501448 /nfs/dbraw/zinc/50/14/48/607501448.db2.gz HGXLOASDLULIKB-CHWSQXEVSA-N -1 1 399.459 -0.048 20 0 GBADMM CCC(=O)N1CC[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820832103 607501447 /nfs/dbraw/zinc/50/14/47/607501447.db2.gz HGXLOASDLULIKB-CHWSQXEVSA-N -1 1 399.459 -0.048 20 0 GBADMM CCC(=O)N1CC[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820832105 607501594 /nfs/dbraw/zinc/50/15/94/607501594.db2.gz HGXLOASDLULIKB-OLZOCXBDSA-N -1 1 399.459 -0.048 20 0 GBADMM CCC(=O)N1CC[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820832105 607501593 /nfs/dbraw/zinc/50/15/93/607501593.db2.gz HGXLOASDLULIKB-OLZOCXBDSA-N -1 1 399.459 -0.048 20 0 GBADMM CCC(=O)N1CC[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820832107 607501330 /nfs/dbraw/zinc/50/13/30/607501330.db2.gz HGXLOASDLULIKB-QWHCGFSZSA-N -1 1 399.459 -0.048 20 0 GBADMM CCC(=O)N1CC[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820832107 607501328 /nfs/dbraw/zinc/50/13/28/607501328.db2.gz HGXLOASDLULIKB-QWHCGFSZSA-N -1 1 399.459 -0.048 20 0 GBADMM CCC(=O)N1CC[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820832109 607501431 /nfs/dbraw/zinc/50/14/31/607501431.db2.gz HGXLOASDLULIKB-STQMWFEESA-N -1 1 399.459 -0.048 20 0 GBADMM CCC(=O)N1CC[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820832109 607501429 /nfs/dbraw/zinc/50/14/29/607501429.db2.gz HGXLOASDLULIKB-STQMWFEESA-N -1 1 399.459 -0.048 20 0 GBADMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820875513 606596816 /nfs/dbraw/zinc/59/68/16/606596816.db2.gz BTLANJWIYQCNHY-LLVKDONJSA-N -1 1 390.452 -0.336 20 0 GBADMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820875513 606596815 /nfs/dbraw/zinc/59/68/15/606596815.db2.gz BTLANJWIYQCNHY-LLVKDONJSA-N -1 1 390.452 -0.336 20 0 GBADMM CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820875515 606596530 /nfs/dbraw/zinc/59/65/30/606596530.db2.gz BTLANJWIYQCNHY-NSHDSACASA-N -1 1 390.452 -0.336 20 0 GBADMM CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820875515 606596528 /nfs/dbraw/zinc/59/65/28/606596528.db2.gz BTLANJWIYQCNHY-NSHDSACASA-N -1 1 390.452 -0.336 20 0 GBADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1OCC(=O)NC ZINC000820913212 607209018 /nfs/dbraw/zinc/20/90/18/607209018.db2.gz DLYODIWXRGUUHY-GFCCVEGCSA-N -1 1 399.415 -0.150 20 0 GBADMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1OCC(=O)NC ZINC000820913215 607209003 /nfs/dbraw/zinc/20/90/03/607209003.db2.gz DLYODIWXRGUUHY-LBPRGKRZSA-N -1 1 399.415 -0.150 20 0 GBADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCOCC1 ZINC000820926937 606472243 /nfs/dbraw/zinc/47/22/43/606472243.db2.gz XUWRJXKHCGPFJT-LLVKDONJSA-N -1 1 381.418 -0.823 20 0 GBADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCOCC1 ZINC000820926937 606472241 /nfs/dbraw/zinc/47/22/41/606472241.db2.gz XUWRJXKHCGPFJT-LLVKDONJSA-N -1 1 381.418 -0.823 20 0 GBADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCOCC1 ZINC000820926938 606471816 /nfs/dbraw/zinc/47/18/16/606471816.db2.gz XUWRJXKHCGPFJT-NSHDSACASA-N -1 1 381.418 -0.823 20 0 GBADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCOCC1 ZINC000820926938 606471814 /nfs/dbraw/zinc/47/18/14/606471814.db2.gz XUWRJXKHCGPFJT-NSHDSACASA-N -1 1 381.418 -0.823 20 0 GBADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1N1CCOCC1 ZINC000820993722 607230473 /nfs/dbraw/zinc/23/04/73/607230473.db2.gz AXMFCHMCEPUHHG-DOMZBBRYSA-N -1 1 393.473 -0.007 20 0 GBADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1N1CCOCC1 ZINC000820993722 607230472 /nfs/dbraw/zinc/23/04/72/607230472.db2.gz AXMFCHMCEPUHHG-DOMZBBRYSA-N -1 1 393.473 -0.007 20 0 GBADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1N1CCOCC1 ZINC000820993723 607230520 /nfs/dbraw/zinc/23/05/20/607230520.db2.gz AXMFCHMCEPUHHG-IUODEOHRSA-N -1 1 393.473 -0.007 20 0 GBADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1N1CCOCC1 ZINC000820993723 607230519 /nfs/dbraw/zinc/23/05/19/607230519.db2.gz AXMFCHMCEPUHHG-IUODEOHRSA-N -1 1 393.473 -0.007 20 0 GBADMM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1N1CCOCC1 ZINC000820993724 607230555 /nfs/dbraw/zinc/23/05/55/607230555.db2.gz AXMFCHMCEPUHHG-SWLSCSKDSA-N -1 1 393.473 -0.007 20 0 GBADMM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1N1CCOCC1 ZINC000820993724 607230554 /nfs/dbraw/zinc/23/05/54/607230554.db2.gz AXMFCHMCEPUHHG-SWLSCSKDSA-N -1 1 393.473 -0.007 20 0 GBADMM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1N1CCOCC1 ZINC000820993725 607230430 /nfs/dbraw/zinc/23/04/30/607230430.db2.gz AXMFCHMCEPUHHG-WFASDCNBSA-N -1 1 393.473 -0.007 20 0 GBADMM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1N1CCOCC1 ZINC000820993725 607230429 /nfs/dbraw/zinc/23/04/29/607230429.db2.gz AXMFCHMCEPUHHG-WFASDCNBSA-N -1 1 393.473 -0.007 20 0 GBADMM CC[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](CC)CN1C(C)=O ZINC000820994176 606421366 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GBADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820994463 607069475 /nfs/dbraw/zinc/06/94/75/607069475.db2.gz IOXWUDVLHIDVFL-ONGXEEELSA-N -1 1 397.465 -0.218 20 0 GBADMM CCCCN(C(=O)Cn1cccc(-c2nn[n-]n2)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000821061457 945627429 /nfs/dbraw/zinc/62/74/29/945627429.db2.gz OGECPUSZLLKDIS-GFCCVEGCSA-N -1 1 394.457 -0.156 20 0 GBADMM CCCCN(C(=O)Cn1cccc(-c2nn[n-]n2)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000821061462 945628922 /nfs/dbraw/zinc/62/89/22/945628922.db2.gz OGECPUSZLLKDIS-LBPRGKRZSA-N -1 1 394.457 -0.156 20 0 GBADMM CCCN(C)S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821087815 607003932 /nfs/dbraw/zinc/00/39/32/607003932.db2.gz GOILINFFUVPDIO-LLVKDONJSA-N -1 1 381.466 -0.246 20 0 GBADMM CCCN(C)S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821087815 607003931 /nfs/dbraw/zinc/00/39/31/607003931.db2.gz GOILINFFUVPDIO-LLVKDONJSA-N -1 1 381.466 -0.246 20 0 GBADMM CCCN(C)S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821087816 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/nfs/dbraw/zinc/21/15/20/607211520.db2.gz MXVIUXQZNQFNGK-CYBMUJFWSA-N -1 1 384.400 -0.004 20 0 GBADMM CCOC(=O)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000821320237 607211364 /nfs/dbraw/zinc/21/13/64/607211364.db2.gz MXVIUXQZNQFNGK-ZDUSSCGKSA-N -1 1 384.400 -0.004 20 0 GBADMM CCOC(=O)[C@]1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC000821320527 607216939 /nfs/dbraw/zinc/21/69/39/607216939.db2.gz OLHGRPOZGIDBMY-KRWDZBQOSA-N -1 1 382.384 -0.021 20 0 GBADMM CCOC(=O)[C@@]1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC000821320540 607216758 /nfs/dbraw/zinc/21/67/58/607216758.db2.gz OLHGRPOZGIDBMY-QGZVFWFLSA-N -1 1 382.384 -0.021 20 0 GBADMM CCOC(=O)[C@]1(CCn2c(=O)c(-c3nn[n-]n3)cn(CC)c2=O)CCCC1=O ZINC000821321007 599697204 /nfs/dbraw/zinc/69/72/04/599697204.db2.gz SVXPOKXZRZOAKL-KRWDZBQOSA-N -1 1 390.400 -0.097 20 0 GBADMM CCOC(=O)[C@@]1(CCn2c(=O)c(-c3nn[n-]n3)cn(CC)c2=O)CCCC1=O ZINC000821321008 599697166 /nfs/dbraw/zinc/69/71/66/599697166.db2.gz SVXPOKXZRZOAKL-QGZVFWFLSA-N -1 1 390.400 -0.097 20 0 GBADMM CCOC(=O)C1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)Cc2ccccc2C1 ZINC000821321426 607212165 /nfs/dbraw/zinc/21/21/65/607212165.db2.gz WUXXMAINOCUZTR-UHFFFAOYSA-N -1 1 382.384 -0.325 20 0 GBADMM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000821325844 599344937 /nfs/dbraw/zinc/34/49/37/599344937.db2.gz OZFXKJQCFXRBLH-JTQLQIEISA-N -1 1 385.377 -0.042 20 0 GBADMM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000821325844 599344935 /nfs/dbraw/zinc/34/49/35/599344935.db2.gz OZFXKJQCFXRBLH-JTQLQIEISA-N -1 1 385.377 -0.042 20 0 GBADMM CCOC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000821325845 599345115 /nfs/dbraw/zinc/34/51/15/599345115.db2.gz OZFXKJQCFXRBLH-SNVBAGLBSA-N -1 1 385.377 -0.042 20 0 GBADMM CCOC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000821325845 599345112 /nfs/dbraw/zinc/34/51/12/599345112.db2.gz OZFXKJQCFXRBLH-SNVBAGLBSA-N -1 1 385.377 -0.042 20 0 GBADMM CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000821326532 606845121 /nfs/dbraw/zinc/84/51/21/606845121.db2.gz YXVYIDGQCIYHSA-LLVKDONJSA-N -1 1 385.377 -0.042 20 0 GBADMM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000821326534 606845408 /nfs/dbraw/zinc/84/54/08/606845408.db2.gz YXVYIDGQCIYHSA-NSHDSACASA-N -1 1 385.377 -0.042 20 0 GBADMM CCOC(=O)CCN(Cc1cccnc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821330752 607211225 /nfs/dbraw/zinc/21/12/25/607211225.db2.gz QHXRHTZBCFRPPZ-UHFFFAOYSA-N -1 1 385.388 -0.165 20 0 GBADMM CCOC(=O)CCN(CC1CC1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821330932 606756904 /nfs/dbraw/zinc/75/69/04/606756904.db2.gz ZGMHEVQTRMUZMF-UHFFFAOYSA-N -1 1 377.405 -0.566 20 0 GBADMM CCOC(=O)CSc1nnc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000821334016 607209448 /nfs/dbraw/zinc/20/94/48/607209448.db2.gz DZHOMGDBHVJECB-UHFFFAOYSA-N -1 1 396.418 -0.396 20 0 GBADMM CCOC(=O)NCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821334103 606822420 /nfs/dbraw/zinc/82/24/20/606822420.db2.gz IQZOETNFSXGZLP-LLVKDONJSA-N -1 1 389.420 -0.170 20 0 GBADMM CCOC(=O)NCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821334103 606822419 /nfs/dbraw/zinc/82/24/19/606822419.db2.gz IQZOETNFSXGZLP-LLVKDONJSA-N -1 1 389.420 -0.170 20 0 GBADMM CCOC(=O)NCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821334104 606822784 /nfs/dbraw/zinc/82/27/84/606822784.db2.gz IQZOETNFSXGZLP-NSHDSACASA-N -1 1 389.420 -0.170 20 0 GBADMM CCOC(=O)NCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821334104 606822782 /nfs/dbraw/zinc/82/27/82/606822782.db2.gz IQZOETNFSXGZLP-NSHDSACASA-N -1 1 389.420 -0.170 20 0 GBADMM CCOC(=O)N1CCN(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000821334214 606708548 /nfs/dbraw/zinc/70/85/48/606708548.db2.gz IXSHZXRJSFQJED-UHFFFAOYSA-N -1 1 385.410 -0.969 20 0 GBADMM CCOC(=O)NCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821334623 606825574 /nfs/dbraw/zinc/82/55/74/606825574.db2.gz PIMZEPGVMWYYBO-JTQLQIEISA-N -1 1 375.393 -0.560 20 0 GBADMM CCOC(=O)NCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821334623 606825572 /nfs/dbraw/zinc/82/55/72/606825572.db2.gz PIMZEPGVMWYYBO-JTQLQIEISA-N -1 1 375.393 -0.560 20 0 GBADMM CCOC(=O)NCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821334624 606825557 /nfs/dbraw/zinc/82/55/57/606825557.db2.gz PIMZEPGVMWYYBO-SNVBAGLBSA-N -1 1 375.393 -0.560 20 0 GBADMM CCOC(=O)NCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821334624 606825555 /nfs/dbraw/zinc/82/55/55/606825555.db2.gz PIMZEPGVMWYYBO-SNVBAGLBSA-N -1 1 375.393 -0.560 20 0 GBADMM CCOC(=O)c1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000821343919 606429341 /nfs/dbraw/zinc/42/93/41/606429341.db2.gz ZBZLKYLOXNPLLF-UHFFFAOYSA-N -1 1 375.345 -0.354 20 0 GBADMM CCOC(=O)c1sc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1C ZINC000821345948 607221562 /nfs/dbraw/zinc/22/15/62/607221562.db2.gz BFMAQCMELBINRS-UHFFFAOYSA-N -1 1 377.390 -0.284 20 0 GBADMM CCO[C@H](C)c1noc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000821347529 599072286 /nfs/dbraw/zinc/07/22/86/599072286.db2.gz XGRBJUNBYQNNSP-MRVPVSSYSA-N -1 1 391.392 -0.619 20 0 GBADMM CCO[C@@H](C)c1noc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000821347530 599072032 /nfs/dbraw/zinc/07/20/32/599072032.db2.gz XGRBJUNBYQNNSP-QMMMGPOBSA-N -1 1 391.392 -0.619 20 0 GBADMM CCOCCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821378738 606778330 /nfs/dbraw/zinc/77/83/30/606778330.db2.gz SWWYCIJHFWGRCK-GFCCVEGCSA-N -1 1 375.437 -0.680 20 0 GBADMM CCOCCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821378738 606778329 /nfs/dbraw/zinc/77/83/29/606778329.db2.gz SWWYCIJHFWGRCK-GFCCVEGCSA-N -1 1 375.437 -0.680 20 0 GBADMM CCOCCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821378742 606778696 /nfs/dbraw/zinc/77/86/96/606778696.db2.gz SWWYCIJHFWGRCK-LBPRGKRZSA-N -1 1 375.437 -0.680 20 0 GBADMM CCOCCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821378742 606778695 /nfs/dbraw/zinc/77/86/95/606778695.db2.gz SWWYCIJHFWGRCK-LBPRGKRZSA-N -1 1 375.437 -0.680 20 0 GBADMM CCOCCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821383755 606820689 /nfs/dbraw/zinc/82/06/89/606820689.db2.gz ISCLKQJSVMOQGY-GFCCVEGCSA-N -1 1 376.421 -0.253 20 0 GBADMM CCOCCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821383755 606820687 /nfs/dbraw/zinc/82/06/87/606820687.db2.gz ISCLKQJSVMOQGY-GFCCVEGCSA-N -1 1 376.421 -0.253 20 0 GBADMM CCOCCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821383756 606820877 /nfs/dbraw/zinc/82/08/77/606820877.db2.gz ISCLKQJSVMOQGY-LBPRGKRZSA-N -1 1 376.421 -0.253 20 0 GBADMM CCOCCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821383756 606820875 /nfs/dbraw/zinc/82/08/75/606820875.db2.gz ISCLKQJSVMOQGY-LBPRGKRZSA-N -1 1 376.421 -0.253 20 0 GBADMM CCOCCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821384103 606848709 /nfs/dbraw/zinc/84/87/09/606848709.db2.gz PJHAPVFBQMLDPL-LLVKDONJSA-N -1 1 382.450 -0.467 20 0 GBADMM CCOCCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821384103 606848708 /nfs/dbraw/zinc/84/87/08/606848708.db2.gz PJHAPVFBQMLDPL-LLVKDONJSA-N -1 1 382.450 -0.467 20 0 GBADMM CCOCCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821384104 606848741 /nfs/dbraw/zinc/84/87/41/606848741.db2.gz PJHAPVFBQMLDPL-NSHDSACASA-N -1 1 382.450 -0.467 20 0 GBADMM CCOCCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821384104 606848739 /nfs/dbraw/zinc/84/87/39/606848739.db2.gz PJHAPVFBQMLDPL-NSHDSACASA-N -1 1 382.450 -0.467 20 0 GBADMM CCOc1cc(C)nc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)n1 ZINC000821394949 607215140 /nfs/dbraw/zinc/21/51/40/607215140.db2.gz QOVMTIVUSLNRCZ-UHFFFAOYSA-N -1 1 399.419 -0.696 20 0 GBADMM CCOc1cccc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)n1 ZINC000821431257 607215000 /nfs/dbraw/zinc/21/50/00/607215000.db2.gz NQVWFEAYHYKVSO-UHFFFAOYSA-N -1 1 384.404 -0.399 20 0 GBADMM CCOc1ccnc(N2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)n1 ZINC000821438203 607225837 /nfs/dbraw/zinc/22/58/37/607225837.db2.gz VHVKNKMSDGYPEF-UHFFFAOYSA-N -1 1 399.419 -0.614 20 0 GBADMM CCS(=O)(=O)NCc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821440714 599315844 /nfs/dbraw/zinc/31/58/44/599315844.db2.gz ARNASNAEPKMBHB-UHFFFAOYSA-N -1 1 376.402 -0.227 20 0 GBADMM CCS(=O)(=O)N(C)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821440979 606157988 /nfs/dbraw/zinc/15/79/88/606157988.db2.gz FZQYCCBVVSSSFR-UHFFFAOYSA-N -1 1 397.465 -0.122 20 0 GBADMM CCS(=O)(=O)N(C)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821440979 606157986 /nfs/dbraw/zinc/15/79/86/606157986.db2.gz FZQYCCBVVSSSFR-UHFFFAOYSA-N -1 1 397.465 -0.122 20 0 GBADMM CCS(=O)(=O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821441027 606822772 /nfs/dbraw/zinc/82/27/72/606822772.db2.gz ICAKMAWTYRKCCH-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM CCS(=O)(=O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821441027 606822770 /nfs/dbraw/zinc/82/27/70/606822770.db2.gz ICAKMAWTYRKCCH-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM CCS(=O)(=O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821441028 606822735 /nfs/dbraw/zinc/82/27/35/606822735.db2.gz ICAKMAWTYRKCCH-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM CCS(=O)(=O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821441028 606822733 /nfs/dbraw/zinc/82/27/33/606822733.db2.gz ICAKMAWTYRKCCH-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM CCS(=O)(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821441856 606783600 /nfs/dbraw/zinc/78/36/00/606783600.db2.gz PXQJIVQCKJYVHX-LLVKDONJSA-N -1 1 381.466 -0.894 20 0 GBADMM CCS(=O)(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821441856 606783599 /nfs/dbraw/zinc/78/35/99/606783599.db2.gz PXQJIVQCKJYVHX-LLVKDONJSA-N -1 1 381.466 -0.894 20 0 GBADMM CCS(=O)(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821441859 606783711 /nfs/dbraw/zinc/78/37/11/606783711.db2.gz PXQJIVQCKJYVHX-NSHDSACASA-N -1 1 381.466 -0.894 20 0 GBADMM CCS(=O)(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821441859 606783710 /nfs/dbraw/zinc/78/37/10/606783710.db2.gz PXQJIVQCKJYVHX-NSHDSACASA-N -1 1 381.466 -0.894 20 0 GBADMM CCS(=O)(=O)NCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821442339 607113436 /nfs/dbraw/zinc/11/34/36/607113436.db2.gz QYXUUJWGNSBNMV-UHFFFAOYSA-N -1 1 386.390 -0.502 20 0 GBADMM CCS(=O)(=O)NC1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821442808 606156822 /nfs/dbraw/zinc/15/68/22/606156822.db2.gz WIBUDIWICSMCFG-UHFFFAOYSA-N -1 1 383.438 -0.464 20 0 GBADMM CCS(=O)(=O)NC1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821442808 606156820 /nfs/dbraw/zinc/15/68/20/606156820.db2.gz WIBUDIWICSMCFG-UHFFFAOYSA-N -1 1 383.438 -0.464 20 0 GBADMM CCS(=O)(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821442920 607208835 /nfs/dbraw/zinc/20/88/35/607208835.db2.gz XJBKYCGKPWDKQA-UHFFFAOYSA-N -1 1 377.390 -0.142 20 0 GBADMM CC[S@@](=O)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821446637 606792203 /nfs/dbraw/zinc/79/22/03/606792203.db2.gz BQLJHTCDWJSLHU-DQQVXTMASA-N -1 1 393.477 -0.355 20 0 GBADMM CC[S@@](=O)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821446637 606792201 /nfs/dbraw/zinc/79/22/01/606792201.db2.gz BQLJHTCDWJSLHU-DQQVXTMASA-N -1 1 393.477 -0.355 20 0 GBADMM CC[S@](=O)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821446638 606792439 /nfs/dbraw/zinc/79/24/39/606792439.db2.gz BQLJHTCDWJSLHU-LUGWNYHVSA-N -1 1 393.477 -0.355 20 0 GBADMM CC[S@](=O)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821446638 606792437 /nfs/dbraw/zinc/79/24/37/606792437.db2.gz BQLJHTCDWJSLHU-LUGWNYHVSA-N -1 1 393.477 -0.355 20 0 GBADMM CC[S@](=O)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821446639 606792297 /nfs/dbraw/zinc/79/22/97/606792297.db2.gz BQLJHTCDWJSLHU-RNUGCUGFSA-N -1 1 393.477 -0.355 20 0 GBADMM CC[S@](=O)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821446639 606792295 /nfs/dbraw/zinc/79/22/95/606792295.db2.gz BQLJHTCDWJSLHU-RNUGCUGFSA-N -1 1 393.477 -0.355 20 0 GBADMM CC[S@@](=O)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821446640 606792068 /nfs/dbraw/zinc/79/20/68/606792068.db2.gz BQLJHTCDWJSLHU-YBOJIHHZSA-N -1 1 393.477 -0.355 20 0 GBADMM CC[S@@](=O)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821446640 606792067 /nfs/dbraw/zinc/79/20/67/606792067.db2.gz BQLJHTCDWJSLHU-YBOJIHHZSA-N -1 1 393.477 -0.355 20 0 GBADMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821448261 606103527 /nfs/dbraw/zinc/10/35/27/606103527.db2.gz MTXMILGHGHMHDP-NFWWYOGNSA-N -1 1 381.462 -0.244 20 0 GBADMM CC[S@](=O)[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821448262 606103354 /nfs/dbraw/zinc/10/33/54/606103354.db2.gz MTXMILGHGHMHDP-PMQYHDKYSA-N -1 1 381.462 -0.244 20 0 GBADMM CC[S@](=O)[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821448263 606103431 /nfs/dbraw/zinc/10/34/31/606103431.db2.gz MTXMILGHGHMHDP-QIVIMITKSA-N -1 1 381.462 -0.244 20 0 GBADMM CC[S@](=O)[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821448264 606103312 /nfs/dbraw/zinc/10/33/12/606103312.db2.gz MTXMILGHGHMHDP-YDMHURDNSA-N -1 1 381.462 -0.244 20 0 GBADMM CCc1cc(N2CCC(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)ncn1 ZINC000821470185 607221452 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ZINC000821637466 606443497 /nfs/dbraw/zinc/44/34/97/606443497.db2.gz HBLBONMGOVKTKG-UHFFFAOYSA-N -1 1 392.449 -0.456 20 0 GBADMM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821637535 607213627 /nfs/dbraw/zinc/21/36/27/607213627.db2.gz KGCXEYLYYWNMAA-SECBINFHSA-N -1 1 391.417 -0.756 20 0 GBADMM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821637536 607213540 /nfs/dbraw/zinc/21/35/40/607213540.db2.gz KGCXEYLYYWNMAA-VIFPVBQESA-N -1 1 391.417 -0.756 20 0 GBADMM CNS(=O)(=O)c1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821637608 606162472 /nfs/dbraw/zinc/16/24/72/606162472.db2.gz MVYMUEPXMVJZCD-UHFFFAOYSA-N -1 1 391.417 -0.170 20 0 GBADMM CNS(=O)(=O)c1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821637608 606162471 /nfs/dbraw/zinc/16/24/71/606162471.db2.gz MVYMUEPXMVJZCD-UHFFFAOYSA-N -1 1 391.417 -0.170 20 0 GBADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821637682 607213658 /nfs/dbraw/zinc/21/36/58/607213658.db2.gz PFRLMZGDYBQJPK-SECBINFHSA-N -1 1 391.417 -0.756 20 0 GBADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821637683 607213684 /nfs/dbraw/zinc/21/36/84/607213684.db2.gz PFRLMZGDYBQJPK-VIFPVBQESA-N -1 1 391.417 -0.756 20 0 GBADMM CNS(=O)(=O)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)s1 ZINC000821637898 606158766 /nfs/dbraw/zinc/15/87/66/606158766.db2.gz YGMORQHWBCDWDL-UHFFFAOYSA-N -1 1 397.446 -0.109 20 0 GBADMM CNS(=O)(=O)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)s1 ZINC000821637898 606158764 /nfs/dbraw/zinc/15/87/64/606158764.db2.gz YGMORQHWBCDWDL-UHFFFAOYSA-N -1 1 397.446 -0.109 20 0 GBADMM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC000821640258 607213475 /nfs/dbraw/zinc/21/34/75/607213475.db2.gz DWAVTPDLZNMWBW-LLVKDONJSA-N -1 1 378.299 -0.233 20 0 GBADMM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC000821640259 607213454 /nfs/dbraw/zinc/21/34/54/607213454.db2.gz DWAVTPDLZNMWBW-NSHDSACASA-N -1 1 378.299 -0.233 20 0 GBADMM 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607214114 /nfs/dbraw/zinc/21/41/14/607214114.db2.gz MCTQYFZTABCCSK-NSHDSACASA-N -1 1 386.372 -0.688 20 0 GBADMM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821640806 607007940 /nfs/dbraw/zinc/00/79/40/607007940.db2.gz PJYCVGZTIKIFEE-GFCCVEGCSA-N -1 1 384.418 -0.151 20 0 GBADMM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821640806 607007938 /nfs/dbraw/zinc/00/79/38/607007938.db2.gz PJYCVGZTIKIFEE-GFCCVEGCSA-N -1 1 384.418 -0.151 20 0 GBADMM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821640807 607007690 /nfs/dbraw/zinc/00/76/90/607007690.db2.gz PJYCVGZTIKIFEE-LBPRGKRZSA-N -1 1 384.418 -0.151 20 0 GBADMM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821640807 607007688 /nfs/dbraw/zinc/00/76/88/607007688.db2.gz PJYCVGZTIKIFEE-LBPRGKRZSA-N -1 1 384.418 -0.151 20 0 GBADMM COC(=O)[C@]1(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCOC1 ZINC000821654007 606692646 /nfs/dbraw/zinc/69/26/46/606692646.db2.gz QUZPNVFVOLAQQL-KRWDZBQOSA-N -1 1 390.400 -0.035 20 0 GBADMM COC(=O)[C@@]1(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCOC1 ZINC000821654008 606692656 /nfs/dbraw/zinc/69/26/56/606692656.db2.gz QUZPNVFVOLAQQL-QGZVFWFLSA-N -1 1 390.400 -0.035 20 0 GBADMM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821657109 606144965 /nfs/dbraw/zinc/14/49/65/606144965.db2.gz HXPJJPMAZYKYLZ-LLVKDONJSA-N -1 1 395.445 -0.480 20 0 GBADMM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821657109 606144964 /nfs/dbraw/zinc/14/49/64/606144964.db2.gz HXPJJPMAZYKYLZ-LLVKDONJSA-N -1 1 395.445 -0.480 20 0 GBADMM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821657110 606144851 /nfs/dbraw/zinc/14/48/51/606144851.db2.gz HXPJJPMAZYKYLZ-NSHDSACASA-N -1 1 395.445 -0.480 20 0 GBADMM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821657110 606144849 /nfs/dbraw/zinc/14/48/49/606144849.db2.gz HXPJJPMAZYKYLZ-NSHDSACASA-N -1 1 395.445 -0.480 20 0 GBADMM COC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC000821657178 607205903 /nfs/dbraw/zinc/20/59/03/607205903.db2.gz JLOMZRWRMRUUOF-GFCCVEGCSA-N -1 1 386.372 -0.113 20 0 GBADMM COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC000821657179 607205761 /nfs/dbraw/zinc/20/57/61/607205761.db2.gz JLOMZRWRMRUUOF-LBPRGKRZSA-N -1 1 386.372 -0.113 20 0 GBADMM COC(=O)[C@H]1COCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821657838 606525480 /nfs/dbraw/zinc/52/54/80/606525480.db2.gz XCGUIAXOYHVWMZ-GFCCVEGCSA-N -1 1 390.400 -0.083 20 0 GBADMM COC(=O)[C@@H]1COCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821657839 606525483 /nfs/dbraw/zinc/52/54/83/606525483.db2.gz XCGUIAXOYHVWMZ-LBPRGKRZSA-N -1 1 390.400 -0.083 20 0 GBADMM COC(=O)CC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC000821658609 606484529 /nfs/dbraw/zinc/48/45/29/606484529.db2.gz CGTGWEZGHZPRQA-UHFFFAOYSA-N -1 1 382.402 -0.348 20 0 GBADMM COC(=O)CC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC000821658609 606484527 /nfs/dbraw/zinc/48/45/27/606484527.db2.gz CGTGWEZGHZPRQA-UHFFFAOYSA-N -1 1 382.402 -0.348 20 0 GBADMM COC(=O)CC1=NC(=S)N[C@H](c2ccc(-c3nn[n-]n3)o2)C1C(=O)OC ZINC000821658719 599492953 /nfs/dbraw/zinc/49/29/53/599492953.db2.gz GNJIVBBKIAZMBF-LLVKDONJSA-N -1 1 378.370 -0.031 20 0 GBADMM COC(=O)CC1=NC(=S)N[C@H](c2ccc(-c3nnn[n-]3)o2)C1C(=O)OC ZINC000821658719 599492952 /nfs/dbraw/zinc/49/29/52/599492952.db2.gz GNJIVBBKIAZMBF-LLVKDONJSA-N -1 1 378.370 -0.031 20 0 GBADMM COC(=O)CC1=NC(=S)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C1C(=O)OC ZINC000821658720 599493256 /nfs/dbraw/zinc/49/32/56/599493256.db2.gz GNJIVBBKIAZMBF-NSHDSACASA-N -1 1 378.370 -0.031 20 0 GBADMM COC(=O)CC1=NC(=S)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C1C(=O)OC ZINC000821658720 599493253 /nfs/dbraw/zinc/49/32/53/599493253.db2.gz GNJIVBBKIAZMBF-NSHDSACASA-N -1 1 378.370 -0.031 20 0 GBADMM COC(=O)C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(=O)OC ZINC000821658920 606284028 /nfs/dbraw/zinc/28/40/28/606284028.db2.gz MRFKQHKQQUOUAO-MRVPVSSYSA-N -1 1 396.385 -0.476 20 0 GBADMM COC(=O)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(=O)OC ZINC000821658921 606284248 /nfs/dbraw/zinc/28/42/48/606284248.db2.gz MRFKQHKQQUOUAO-QMMMGPOBSA-N -1 1 396.385 -0.476 20 0 GBADMM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000821660038 606435335 /nfs/dbraw/zinc/43/53/35/606435335.db2.gz DKZXJAHRUMUWEX-SECBINFHSA-N -1 1 385.377 -0.042 20 0 GBADMM COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000821660039 606435157 /nfs/dbraw/zinc/43/51/57/606435157.db2.gz DKZXJAHRUMUWEX-VIFPVBQESA-N -1 1 385.377 -0.042 20 0 GBADMM COC(=O)CCC1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000821660122 606610698 /nfs/dbraw/zinc/61/06/98/606610698.db2.gz GOOSQMGCJZOPBP-UHFFFAOYSA-N -1 1 377.405 -0.566 20 0 GBADMM COC(=O)CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821660500 606826645 /nfs/dbraw/zinc/82/66/45/606826645.db2.gz UIOJWSQJXMKAFR-LLVKDONJSA-N -1 1 389.420 -0.170 20 0 GBADMM COC(=O)CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821660500 606826644 /nfs/dbraw/zinc/82/66/44/606826644.db2.gz UIOJWSQJXMKAFR-LLVKDONJSA-N -1 1 389.420 -0.170 20 0 GBADMM COC(=O)CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821660501 606826629 /nfs/dbraw/zinc/82/66/29/606826629.db2.gz UIOJWSQJXMKAFR-NSHDSACASA-N -1 1 389.420 -0.170 20 0 GBADMM COC(=O)CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821660501 606826627 /nfs/dbraw/zinc/82/66/27/606826627.db2.gz UIOJWSQJXMKAFR-NSHDSACASA-N -1 1 389.420 -0.170 20 0 GBADMM COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000821660610 606845403 /nfs/dbraw/zinc/84/54/03/606845403.db2.gz XQVXVXARZXSLQK-JTQLQIEISA-N -1 1 385.377 -0.042 20 0 GBADMM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000821660611 606845130 /nfs/dbraw/zinc/84/51/30/606845130.db2.gz XQVXVXARZXSLQK-SNVBAGLBSA-N -1 1 385.377 -0.042 20 0 GBADMM COC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000821660684 606435441 /nfs/dbraw/zinc/43/54/41/606435441.db2.gz ZQLWSIARVJRWEK-SECBINFHSA-N -1 1 385.377 -0.042 20 0 GBADMM COC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000821660684 606435439 /nfs/dbraw/zinc/43/54/39/606435439.db2.gz ZQLWSIARVJRWEK-SECBINFHSA-N -1 1 385.377 -0.042 20 0 GBADMM COC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000821660685 606435464 /nfs/dbraw/zinc/43/54/64/606435464.db2.gz ZQLWSIARVJRWEK-VIFPVBQESA-N -1 1 385.377 -0.042 20 0 GBADMM COC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000821660685 606435463 /nfs/dbraw/zinc/43/54/63/606435463.db2.gz ZQLWSIARVJRWEK-VIFPVBQESA-N -1 1 385.377 -0.042 20 0 GBADMM COC(=O)CCNC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821661426 607213531 /nfs/dbraw/zinc/21/35/31/607213531.db2.gz IWFMTHKAXSIHDW-UHFFFAOYSA-N -1 1 399.371 -0.610 20 0 GBADMM COC(=O)CCN(Cc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821661476 607305392 /nfs/dbraw/zinc/30/53/92/607305392.db2.gz KRFGSFTTZSURPH-UHFFFAOYSA-N -1 1 399.411 -0.166 20 0 GBADMM COC(=O)CCCc1nnc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000821661540 607218735 /nfs/dbraw/zinc/21/87/35/607218735.db2.gz NPTMZLRWIRZGSI-UHFFFAOYSA-N -1 1 378.378 -0.556 20 0 GBADMM COC(=O)CCN(C1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821661709 599235704 /nfs/dbraw/zinc/23/57/04/599235704.db2.gz VKBOJUAFKMGUDH-UHFFFAOYSA-N -1 1 396.429 -0.006 20 0 GBADMM COC(=O)CCN(C1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821661709 599235702 /nfs/dbraw/zinc/23/57/02/599235702.db2.gz VKBOJUAFKMGUDH-UHFFFAOYSA-N -1 1 396.429 -0.006 20 0 GBADMM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821662679 599232806 /nfs/dbraw/zinc/23/28/06/599232806.db2.gz NNOPHEVHZLQMBQ-UHFFFAOYSA-N -1 1 382.402 -0.396 20 0 GBADMM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821662679 599232804 /nfs/dbraw/zinc/23/28/04/599232804.db2.gz NNOPHEVHZLQMBQ-UHFFFAOYSA-N -1 1 382.402 -0.396 20 0 GBADMM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821662797 607215303 /nfs/dbraw/zinc/21/53/03/607215303.db2.gz TZQYYJVZKWMGQF-UHFFFAOYSA-N -1 1 392.326 -0.062 20 0 GBADMM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821662804 606556934 /nfs/dbraw/zinc/55/69/34/606556934.db2.gz UFSVGYZPEHMRPC-UHFFFAOYSA-N -1 1 380.430 -0.124 20 0 GBADMM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821662804 606556932 /nfs/dbraw/zinc/55/69/32/606556932.db2.gz UFSVGYZPEHMRPC-UHFFFAOYSA-N -1 1 380.430 -0.124 20 0 GBADMM COC(=O)N(C)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821663825 606820552 /nfs/dbraw/zinc/82/05/52/606820552.db2.gz PQMGNQRALIHQTD-JTQLQIEISA-N -1 1 375.393 -0.608 20 0 GBADMM COC(=O)N(C)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821663825 606820551 /nfs/dbraw/zinc/82/05/51/606820551.db2.gz PQMGNQRALIHQTD-JTQLQIEISA-N -1 1 375.393 -0.608 20 0 GBADMM COC(=O)N(C)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821663826 606820582 /nfs/dbraw/zinc/82/05/82/606820582.db2.gz PQMGNQRALIHQTD-SNVBAGLBSA-N -1 1 375.393 -0.608 20 0 GBADMM COC(=O)N(C)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821663826 606820581 /nfs/dbraw/zinc/82/05/81/606820581.db2.gz PQMGNQRALIHQTD-SNVBAGLBSA-N -1 1 375.393 -0.608 20 0 GBADMM COC(=O)Cn1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000821663887 599284046 /nfs/dbraw/zinc/28/40/46/599284046.db2.gz SFUBABSMWLLVAK-UHFFFAOYSA-N -1 1 389.380 -0.704 20 0 GBADMM COC(=O)Cn1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000821663887 599284044 /nfs/dbraw/zinc/28/40/44/599284044.db2.gz SFUBABSMWLLVAK-UHFFFAOYSA-N -1 1 389.380 -0.704 20 0 GBADMM COC(=O)NCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821664690 606822630 /nfs/dbraw/zinc/82/26/30/606822630.db2.gz FLAXKNOHRDBBSL-JTQLQIEISA-N -1 1 375.393 -0.560 20 0 GBADMM COC(=O)NCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821664690 606822629 /nfs/dbraw/zinc/82/26/29/606822629.db2.gz FLAXKNOHRDBBSL-JTQLQIEISA-N -1 1 375.393 -0.560 20 0 GBADMM COC(=O)NCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821664691 606822575 /nfs/dbraw/zinc/82/25/75/606822575.db2.gz FLAXKNOHRDBBSL-SNVBAGLBSA-N -1 1 375.393 -0.560 20 0 GBADMM COC(=O)NCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821664691 606822573 /nfs/dbraw/zinc/82/25/73/606822573.db2.gz FLAXKNOHRDBBSL-SNVBAGLBSA-N -1 1 375.393 -0.560 20 0 GBADMM COC(=O)NCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821665171 606820740 /nfs/dbraw/zinc/82/07/40/606820740.db2.gz YWPCDBIXQJDLAU-LLVKDONJSA-N -1 1 389.420 -0.170 20 0 GBADMM COC(=O)NCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821665171 606820738 /nfs/dbraw/zinc/82/07/38/606820738.db2.gz YWPCDBIXQJDLAU-LLVKDONJSA-N -1 1 389.420 -0.170 20 0 GBADMM COC(=O)NCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821665172 606820684 /nfs/dbraw/zinc/82/06/84/606820684.db2.gz YWPCDBIXQJDLAU-NSHDSACASA-N -1 1 389.420 -0.170 20 0 GBADMM COC(=O)NCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821665172 606820682 /nfs/dbraw/zinc/82/06/82/606820682.db2.gz YWPCDBIXQJDLAU-NSHDSACASA-N -1 1 389.420 -0.170 20 0 GBADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821665894 607205135 /nfs/dbraw/zinc/20/51/35/607205135.db2.gz IZJIOAAJXXMBDV-CYBMUJFWSA-N -1 1 395.383 -0.160 20 0 GBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000821666916 945786883 /nfs/dbraw/zinc/78/68/83/945786883.db2.gz MCHGQZZJKDQIKC-JTQLQIEISA-N -1 1 396.429 -0.513 20 0 GBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000821666917 945785990 /nfs/dbraw/zinc/78/59/90/945785990.db2.gz MCHGQZZJKDQIKC-SNVBAGLBSA-N -1 1 396.429 -0.513 20 0 GBADMM COC(=O)c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC)c(OC)c1 ZINC000821667903 607219665 /nfs/dbraw/zinc/21/96/65/607219665.db2.gz GCXIJURDDGVMRC-UHFFFAOYSA-N -1 1 388.344 -0.099 20 0 GBADMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821667983 607206359 /nfs/dbraw/zinc/20/63/59/607206359.db2.gz JUNBKFCCMJRSTC-UHFFFAOYSA-N -1 1 388.344 -0.099 20 0 GBADMM COC(=O)c1ncn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000821671059 606769745 /nfs/dbraw/zinc/76/97/45/606769745.db2.gz GCBPUEFNQCCJCX-JTQLQIEISA-N -1 1 385.392 -0.797 20 0 GBADMM COC(=O)c1ncn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000821671059 606769743 /nfs/dbraw/zinc/76/97/43/606769743.db2.gz GCBPUEFNQCCJCX-JTQLQIEISA-N -1 1 385.392 -0.797 20 0 GBADMM COC(=O)c1ncn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000821671060 606769539 /nfs/dbraw/zinc/76/95/39/606769539.db2.gz GCBPUEFNQCCJCX-SNVBAGLBSA-N -1 1 385.392 -0.797 20 0 GBADMM COC(=O)c1ncn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000821671060 606769538 /nfs/dbraw/zinc/76/95/38/606769538.db2.gz GCBPUEFNQCCJCX-SNVBAGLBSA-N -1 1 385.392 -0.797 20 0 GBADMM COC(=O)c1cn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nn1 ZINC000821671079 606769536 /nfs/dbraw/zinc/76/95/36/606769536.db2.gz HFKNVRJFJAIDNH-JTQLQIEISA-N -1 1 385.392 -0.797 20 0 GBADMM COC(=O)c1cn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nn1 ZINC000821671079 606769535 /nfs/dbraw/zinc/76/95/35/606769535.db2.gz HFKNVRJFJAIDNH-JTQLQIEISA-N -1 1 385.392 -0.797 20 0 GBADMM COC(=O)c1cn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nn1 ZINC000821671080 606769371 /nfs/dbraw/zinc/76/93/71/606769371.db2.gz HFKNVRJFJAIDNH-SNVBAGLBSA-N -1 1 385.392 -0.797 20 0 GBADMM COC(=O)c1cn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nn1 ZINC000821671080 606769369 /nfs/dbraw/zinc/76/93/69/606769369.db2.gz HFKNVRJFJAIDNH-SNVBAGLBSA-N -1 1 385.392 -0.797 20 0 GBADMM COC(=O)c1nc2nc(C)cc(NCCCc3[nH]nc(N)c3-c3nn[n-]n3)n2n1 ZINC000821671454 606441635 /nfs/dbraw/zinc/44/16/35/606441635.db2.gz WQIWPVRIHDRELV-UHFFFAOYSA-N -1 1 398.391 -0.251 20 0 GBADMM COC(=O)c1nc2nc(C)cc(NCCCc3[nH]nc(N)c3-c3nnn[n-]3)n2n1 ZINC000821671454 606441634 /nfs/dbraw/zinc/44/16/34/606441634.db2.gz WQIWPVRIHDRELV-UHFFFAOYSA-N -1 1 398.391 -0.251 20 0 GBADMM COCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821680269 599338951 /nfs/dbraw/zinc/33/89/51/599338951.db2.gz FBXFGXFJBCVDNW-UHFFFAOYSA-N -1 1 384.393 -0.515 20 0 GBADMM COCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821680269 599338948 /nfs/dbraw/zinc/33/89/48/599338948.db2.gz FBXFGXFJBCVDNW-UHFFFAOYSA-N -1 1 384.393 -0.515 20 0 GBADMM COCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821680598 606842747 /nfs/dbraw/zinc/84/27/47/606842747.db2.gz NVERMMJVAJCZMK-UHFFFAOYSA-N -1 1 398.420 -0.079 20 0 GBADMM COCC(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821680696 599338352 /nfs/dbraw/zinc/33/83/52/599338352.db2.gz RASTZRSYRJYEFR-UHFFFAOYSA-N -1 1 398.420 -0.079 20 0 GBADMM COCC(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821680696 599338350 /nfs/dbraw/zinc/33/83/50/599338350.db2.gz RASTZRSYRJYEFR-UHFFFAOYSA-N -1 1 398.420 -0.079 20 0 GBADMM COCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821680938 606842794 /nfs/dbraw/zinc/84/27/94/606842794.db2.gz ZWMMHDWPNZZEOP-UHFFFAOYSA-N -1 1 384.393 -0.515 20 0 GBADMM COC[C@](C)(O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821681139 606659745 /nfs/dbraw/zinc/65/97/45/606659745.db2.gz CIOOCJBJYQMJCO-INIZCTEOSA-N -1 1 377.405 -0.222 20 0 GBADMM COC[C@@](C)(O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821681140 606659872 /nfs/dbraw/zinc/65/98/72/606659872.db2.gz CIOOCJBJYQMJCO-MRXNPFEDSA-N -1 1 377.405 -0.222 20 0 GBADMM COC[C@@](C)(O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821681816 599497025 /nfs/dbraw/zinc/49/70/25/599497025.db2.gz SGBCOBXFHGCYEG-KRWDZBQOSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@@](C)(O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821681816 599497022 /nfs/dbraw/zinc/49/70/22/599497022.db2.gz SGBCOBXFHGCYEG-KRWDZBQOSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@](C)(O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821681817 599497601 /nfs/dbraw/zinc/49/76/01/599497601.db2.gz SGBCOBXFHGCYEG-QGZVFWFLSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@](C)(O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821681817 599497600 /nfs/dbraw/zinc/49/76/00/599497600.db2.gz SGBCOBXFHGCYEG-QGZVFWFLSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@@H](C)S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821682884 606848773 /nfs/dbraw/zinc/84/87/73/606848773.db2.gz PXQHGBBVSHNTSF-GHMZBOCLSA-N -1 1 382.450 -0.468 20 0 GBADMM COC[C@@H](C)S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821682884 606848771 /nfs/dbraw/zinc/84/87/71/606848771.db2.gz PXQHGBBVSHNTSF-GHMZBOCLSA-N -1 1 382.450 -0.468 20 0 GBADMM COC[C@H](C)S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821682885 606848617 /nfs/dbraw/zinc/84/86/17/606848617.db2.gz PXQHGBBVSHNTSF-MNOVXSKESA-N -1 1 382.450 -0.468 20 0 GBADMM COC[C@H](C)S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821682885 606848616 /nfs/dbraw/zinc/84/86/16/606848616.db2.gz PXQHGBBVSHNTSF-MNOVXSKESA-N -1 1 382.450 -0.468 20 0 GBADMM COC[C@H](C)S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821682886 606848644 /nfs/dbraw/zinc/84/86/44/606848644.db2.gz PXQHGBBVSHNTSF-QWRGUYRKSA-N -1 1 382.450 -0.468 20 0 GBADMM COC[C@H](C)S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821682886 606848643 /nfs/dbraw/zinc/84/86/43/606848643.db2.gz PXQHGBBVSHNTSF-QWRGUYRKSA-N -1 1 382.450 -0.468 20 0 GBADMM COC[C@@H](C)S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821682887 606848629 /nfs/dbraw/zinc/84/86/29/606848629.db2.gz PXQHGBBVSHNTSF-WDEREUQCSA-N -1 1 382.450 -0.468 20 0 GBADMM COC[C@@H](C)S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821682887 606848628 /nfs/dbraw/zinc/84/86/28/606848628.db2.gz PXQHGBBVSHNTSF-WDEREUQCSA-N -1 1 382.450 -0.468 20 0 GBADMM COC[C@@H](CCO)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821683102 607186971 /nfs/dbraw/zinc/18/69/71/607186971.db2.gz VXNQNTKVXUDVCC-GFCCVEGCSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@@H](CCO)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821683102 607186970 /nfs/dbraw/zinc/18/69/70/607186970.db2.gz VXNQNTKVXUDVCC-GFCCVEGCSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@H](CCO)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821683103 607186701 /nfs/dbraw/zinc/18/67/01/607186701.db2.gz VXNQNTKVXUDVCC-LBPRGKRZSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@H](CCO)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821683103 607186700 /nfs/dbraw/zinc/18/67/00/607186700.db2.gz VXNQNTKVXUDVCC-LBPRGKRZSA-N -1 1 388.432 -0.028 20 0 GBADMM COCCC(=O)N1CCC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821684480 607194800 /nfs/dbraw/zinc/19/48/00/607194800.db2.gz AXXAFKKADGFUQA-UHFFFAOYSA-N -1 1 377.409 -0.251 20 0 GBADMM COCCC(=O)N1CCC(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821684480 607194799 /nfs/dbraw/zinc/19/47/99/607194799.db2.gz AXXAFKKADGFUQA-UHFFFAOYSA-N -1 1 377.409 -0.251 20 0 GBADMM COCCC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821685551 607144352 /nfs/dbraw/zinc/14/43/52/607144352.db2.gz IACVYDAQTKRXKE-UHFFFAOYSA-N -1 1 395.445 -0.433 20 0 GBADMM COCCC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821685551 607144351 /nfs/dbraw/zinc/14/43/51/607144351.db2.gz IACVYDAQTKRXKE-UHFFFAOYSA-N -1 1 395.445 -0.433 20 0 GBADMM COCCCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821687513 606853595 /nfs/dbraw/zinc/85/35/95/606853595.db2.gz CHEDWHRPBPKJCY-GFCCVEGCSA-N -1 1 375.437 -0.680 20 0 GBADMM COCCCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821687513 606853594 /nfs/dbraw/zinc/85/35/94/606853594.db2.gz CHEDWHRPBPKJCY-GFCCVEGCSA-N -1 1 375.437 -0.680 20 0 GBADMM COCCCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821687514 606853928 /nfs/dbraw/zinc/85/39/28/606853928.db2.gz CHEDWHRPBPKJCY-LBPRGKRZSA-N -1 1 375.437 -0.680 20 0 GBADMM COCCCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821687514 606853927 /nfs/dbraw/zinc/85/39/27/606853927.db2.gz CHEDWHRPBPKJCY-LBPRGKRZSA-N -1 1 375.437 -0.680 20 0 GBADMM COCCCOC1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000821687712 599577262 /nfs/dbraw/zinc/57/72/62/599577262.db2.gz LEQAZMLQIKLAIS-UHFFFAOYSA-N -1 1 379.421 -0.714 20 0 GBADMM COCCCN(Cc1ccncc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821687715 607329258 /nfs/dbraw/zinc/32/92/58/607329258.db2.gz LGNGWQPKCAYFBN-UHFFFAOYSA-N -1 1 386.416 -0.298 20 0 GBADMM COCCCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821688192 606848409 /nfs/dbraw/zinc/84/84/09/606848409.db2.gz BKMBJHMEINKIEZ-LLVKDONJSA-N -1 1 382.450 -0.467 20 0 GBADMM COCCCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821688192 606848407 /nfs/dbraw/zinc/84/84/07/606848407.db2.gz BKMBJHMEINKIEZ-LLVKDONJSA-N -1 1 382.450 -0.467 20 0 GBADMM COCCCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821688193 606848666 /nfs/dbraw/zinc/84/86/66/606848666.db2.gz BKMBJHMEINKIEZ-NSHDSACASA-N -1 1 382.450 -0.467 20 0 GBADMM COCCCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821688193 606848664 /nfs/dbraw/zinc/84/86/64/606848664.db2.gz BKMBJHMEINKIEZ-NSHDSACASA-N -1 1 382.450 -0.467 20 0 GBADMM COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821688418 607294023 /nfs/dbraw/zinc/29/40/23/607294023.db2.gz KMERSSSUCHRAIL-UHFFFAOYSA-N -1 1 395.445 -0.614 20 0 GBADMM COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821688418 607294022 /nfs/dbraw/zinc/29/40/22/607294022.db2.gz KMERSSSUCHRAIL-UHFFFAOYSA-N -1 1 395.445 -0.614 20 0 GBADMM COCCN(CCc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821689705 606240543 /nfs/dbraw/zinc/24/05/43/606240543.db2.gz JDWWKGBVTXUJCL-UHFFFAOYSA-N -1 1 385.428 -0.040 20 0 GBADMM COCCN(Cc1ccc(C)o1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821690545 607117865 /nfs/dbraw/zinc/11/78/65/607117865.db2.gz PKQFKNVUYBLJFW-UHFFFAOYSA-N -1 1 375.389 -0.181 20 0 GBADMM COCCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821690754 607215938 /nfs/dbraw/zinc/21/59/38/607215938.db2.gz YQIUXJGJROMLRI-UHFFFAOYSA-N -1 1 386.372 -0.138 20 0 GBADMM COCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821691284 606519966 /nfs/dbraw/zinc/51/99/66/606519966.db2.gz OWTUVRLJRQCDFO-UHFFFAOYSA-N -1 1 379.446 -0.551 20 0 GBADMM COCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821691284 606519964 /nfs/dbraw/zinc/51/99/64/606519964.db2.gz OWTUVRLJRQCDFO-UHFFFAOYSA-N -1 1 379.446 -0.551 20 0 GBADMM COCCNC(=O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821691441 607357415 /nfs/dbraw/zinc/35/74/15/607357415.db2.gz UTYORVWUQOINPY-UHFFFAOYSA-N -1 1 377.405 -0.604 20 0 GBADMM COCCNC(=O)c1ccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1 ZINC000821691511 606441805 /nfs/dbraw/zinc/44/18/05/606441805.db2.gz XAGLYMZPYGNCQQ-UHFFFAOYSA-N -1 1 386.420 -0.012 20 0 GBADMM COCCOCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821692302 606820525 /nfs/dbraw/zinc/82/05/25/606820525.db2.gz ULGNKYKHPFXIAG-GFCCVEGCSA-N -1 1 376.421 -0.253 20 0 GBADMM COCCOCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821692302 606820524 /nfs/dbraw/zinc/82/05/24/606820524.db2.gz ULGNKYKHPFXIAG-GFCCVEGCSA-N -1 1 376.421 -0.253 20 0 GBADMM COCCOCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821692303 606820546 /nfs/dbraw/zinc/82/05/46/606820546.db2.gz ULGNKYKHPFXIAG-LBPRGKRZSA-N -1 1 376.421 -0.253 20 0 GBADMM COCCOCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821692303 606820545 /nfs/dbraw/zinc/82/05/45/606820545.db2.gz ULGNKYKHPFXIAG-LBPRGKRZSA-N -1 1 376.421 -0.253 20 0 GBADMM COCCOCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821693238 606791097 /nfs/dbraw/zinc/79/10/97/606791097.db2.gz YNXSOACJSOYJMS-GFCCVEGCSA-N -1 1 391.436 -0.460 20 0 GBADMM COCCOCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821693238 606791095 /nfs/dbraw/zinc/79/10/95/606791095.db2.gz YNXSOACJSOYJMS-GFCCVEGCSA-N -1 1 391.436 -0.460 20 0 GBADMM COCCOCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821693239 606791228 /nfs/dbraw/zinc/79/12/28/606791228.db2.gz YNXSOACJSOYJMS-LBPRGKRZSA-N -1 1 391.436 -0.460 20 0 GBADMM COCCOCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821693239 606791226 /nfs/dbraw/zinc/79/12/26/606791226.db2.gz YNXSOACJSOYJMS-LBPRGKRZSA-N -1 1 391.436 -0.460 20 0 GBADMM COCCc1nnc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)n1N ZINC000821694197 599132913 /nfs/dbraw/zinc/13/29/13/599132913.db2.gz BYRVBLVMSHNKRT-UHFFFAOYSA-N -1 1 389.405 -0.599 20 0 GBADMM COCCc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000821694355 606779021 /nfs/dbraw/zinc/77/90/21/606779021.db2.gz JORRCFVOIXQMTF-LLVKDONJSA-N -1 1 386.420 -0.061 20 0 GBADMM COCCc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000821694355 606779019 /nfs/dbraw/zinc/77/90/19/606779019.db2.gz JORRCFVOIXQMTF-LLVKDONJSA-N -1 1 386.420 -0.061 20 0 GBADMM COCCc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000821694356 606778436 /nfs/dbraw/zinc/77/84/36/606778436.db2.gz JORRCFVOIXQMTF-NSHDSACASA-N -1 1 386.420 -0.061 20 0 GBADMM COCCc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000821694356 606778434 /nfs/dbraw/zinc/77/84/34/606778434.db2.gz JORRCFVOIXQMTF-NSHDSACASA-N -1 1 386.420 -0.061 20 0 GBADMM COCCc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n(C)n1 ZINC000821694409 607204632 /nfs/dbraw/zinc/20/46/32/607204632.db2.gz LXOMNMWNRKVMPJ-UHFFFAOYSA-N -1 1 389.424 -0.151 20 0 GBADMM COCCc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n(C)n1 ZINC000821694409 607204631 /nfs/dbraw/zinc/20/46/31/607204631.db2.gz LXOMNMWNRKVMPJ-UHFFFAOYSA-N -1 1 389.424 -0.151 20 0 GBADMM COCCn1nc(C)c(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C ZINC000821694926 606200422 /nfs/dbraw/zinc/20/04/22/606200422.db2.gz BAPBAGFXDHIDON-UHFFFAOYSA-N -1 1 375.393 -0.533 20 0 GBADMM COCc1nc(S(=O)(=O)CCOc2ccc(-c3nn[nH]n3)cc2OC)n[n-]1 ZINC000821696622 606778437 /nfs/dbraw/zinc/77/84/37/606778437.db2.gz JXSRXUMZEXXUCY-UHFFFAOYSA-N -1 1 395.401 -0.008 20 0 GBADMM COCc1nnc(S(=O)(=O)CCOc2ccc(-c3nn[nH]n3)cc2OC)[n-]1 ZINC000821696622 606778435 /nfs/dbraw/zinc/77/84/35/606778435.db2.gz JXSRXUMZEXXUCY-UHFFFAOYSA-N -1 1 395.401 -0.008 20 0 GBADMM COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821696760 606739619 /nfs/dbraw/zinc/73/96/19/606739619.db2.gz PAXVHTDATOSEEB-LLVKDONJSA-N -1 1 391.417 -0.187 20 0 GBADMM COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821696760 606739617 /nfs/dbraw/zinc/73/96/17/606739617.db2.gz PAXVHTDATOSEEB-LLVKDONJSA-N -1 1 391.417 -0.187 20 0 GBADMM COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821696761 606739475 /nfs/dbraw/zinc/73/94/75/606739475.db2.gz PAXVHTDATOSEEB-NSHDSACASA-N -1 1 391.417 -0.187 20 0 GBADMM COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821696761 606739473 /nfs/dbraw/zinc/73/94/73/606739473.db2.gz PAXVHTDATOSEEB-NSHDSACASA-N -1 1 391.417 -0.187 20 0 GBADMM COCc1nn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(=O)o1 ZINC000821697016 607121354 /nfs/dbraw/zinc/12/13/54/607121354.db2.gz YCMOHUNFVMJLBV-JTQLQIEISA-N -1 1 388.392 -0.879 20 0 GBADMM COCc1nn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(=O)o1 ZINC000821697016 607121352 /nfs/dbraw/zinc/12/13/52/607121352.db2.gz YCMOHUNFVMJLBV-JTQLQIEISA-N -1 1 388.392 -0.879 20 0 GBADMM COCc1nn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(=O)o1 ZINC000821697017 607121501 /nfs/dbraw/zinc/12/15/01/607121501.db2.gz YCMOHUNFVMJLBV-SNVBAGLBSA-N -1 1 388.392 -0.879 20 0 GBADMM COCc1nn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(=O)o1 ZINC000821697017 607121499 /nfs/dbraw/zinc/12/14/99/607121499.db2.gz YCMOHUNFVMJLBV-SNVBAGLBSA-N -1 1 388.392 -0.879 20 0 GBADMM COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000821697036 606898051 /nfs/dbraw/zinc/89/80/51/606898051.db2.gz YOYNCRZEWLJUDI-SECBINFHSA-N -1 1 391.417 -0.707 20 0 GBADMM COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000821697036 606898049 /nfs/dbraw/zinc/89/80/49/606898049.db2.gz YOYNCRZEWLJUDI-SECBINFHSA-N -1 1 391.417 -0.707 20 0 GBADMM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000821697037 606898008 /nfs/dbraw/zinc/89/80/08/606898008.db2.gz YOYNCRZEWLJUDI-VIFPVBQESA-N -1 1 391.417 -0.707 20 0 GBADMM COCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000821697037 606898007 /nfs/dbraw/zinc/89/80/07/606898007.db2.gz YOYNCRZEWLJUDI-VIFPVBQESA-N -1 1 391.417 -0.707 20 0 GBADMM COc1cc(F)ccc1N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821719372 607217619 /nfs/dbraw/zinc/21/76/19/607217619.db2.gz CUVZBHXZXRSFIL-UHFFFAOYSA-N -1 1 387.379 -0.045 20 0 GBADMM COc1cc(NC(=O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc(OC)c1 ZINC000821720294 607221657 /nfs/dbraw/zinc/22/16/57/607221657.db2.gz QMIGXHKWABDHMI-UHFFFAOYSA-N -1 1 387.360 -0.770 20 0 GBADMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)c1 ZINC000821724110 607221493 /nfs/dbraw/zinc/22/14/93/607221493.db2.gz QLHPSUFBTCZOCJ-LLVKDONJSA-N -1 1 399.415 -0.130 20 0 GBADMM COc1cc(OC)cc(N2CC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)c1 ZINC000821724114 607221443 /nfs/dbraw/zinc/22/14/43/607221443.db2.gz QLHPSUFBTCZOCJ-NSHDSACASA-N -1 1 399.415 -0.130 20 0 GBADMM COc1cc(OC)c(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC)c1 ZINC000821724388 607215405 /nfs/dbraw/zinc/21/54/05/607215405.db2.gz UNZCZPSKSKUNKE-UHFFFAOYSA-N -1 1 388.388 -0.157 20 0 GBADMM COc1ccc(-c2nc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n[nH]2)cc1OC ZINC000821732990 607217622 /nfs/dbraw/zinc/21/76/22/607217622.db2.gz XNTQVKFLSJWZFV-UHFFFAOYSA-N -1 1 397.359 -0.101 20 0 GBADMM COc1ccc(-n2cc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)nn2)cc1 ZINC000821769483 607222161 /nfs/dbraw/zinc/22/21/61/607222161.db2.gz HZOQSHOOOYLFGW-UHFFFAOYSA-N -1 1 381.360 -0.636 20 0 GBADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nn1 ZINC000821770075 606825737 /nfs/dbraw/zinc/82/57/37/606825737.db2.gz OLXAFGBQBXYVFC-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nn1 ZINC000821770075 606825735 /nfs/dbraw/zinc/82/57/35/606825735.db2.gz OLXAFGBQBXYVFC-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nn1 ZINC000821770079 606825619 /nfs/dbraw/zinc/82/56/19/606825619.db2.gz OLXAFGBQBXYVFC-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nn1 ZINC000821770079 606825617 /nfs/dbraw/zinc/82/56/17/606825617.db2.gz OLXAFGBQBXYVFC-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ccc(-n2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)cc1 ZINC000821770881 607210802 /nfs/dbraw/zinc/21/08/02/607210802.db2.gz YWHHXISDDQJJNC-UHFFFAOYSA-N -1 1 380.372 -0.031 20 0 GBADMM COc1ccc([C@@H](CCO)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000821777746 606101431 /nfs/dbraw/zinc/10/14/31/606101431.db2.gz MEHWROCJPBAVKB-GFCCVEGCSA-N -1 1 387.400 -0.192 20 0 GBADMM COc1ccc([C@H](CCO)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000821777747 606101711 /nfs/dbraw/zinc/10/17/11/606101711.db2.gz MEHWROCJPBAVKB-LBPRGKRZSA-N -1 1 387.400 -0.192 20 0 GBADMM COc1ccc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC)c1OC ZINC000821790427 607213478 /nfs/dbraw/zinc/21/34/78/607213478.db2.gz NNPKMJULQLDTLW-UHFFFAOYSA-N -1 1 388.388 -0.157 20 0 GBADMM COc1ccc(CN2CC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000821794742 607217651 /nfs/dbraw/zinc/21/76/51/607217651.db2.gz LPYDPESXUWBRPW-CYBMUJFWSA-N -1 1 397.399 -0.616 20 0 GBADMM COc1ccc(CN2CC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000821794743 607217390 /nfs/dbraw/zinc/21/73/90/607217390.db2.gz LPYDPESXUWBRPW-ZDUSSCGKSA-N -1 1 397.399 -0.616 20 0 GBADMM COc1ccc(CN(CCO)C(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC)c1 ZINC000821794833 945870059 /nfs/dbraw/zinc/87/00/59/945870059.db2.gz NKSQZHDWUBJSHJ-UHFFFAOYSA-N -1 1 388.388 -0.504 20 0 GBADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C(=O)NC2CC2)c1 ZINC000821831614 607215171 /nfs/dbraw/zinc/21/51/71/607215171.db2.gz GDIHKALIISSWNC-UHFFFAOYSA-N -1 1 383.372 -0.002 20 0 GBADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1-n1nnnc1C ZINC000821831822 607212667 /nfs/dbraw/zinc/21/26/67/607212667.db2.gz OCCTXCFTOKHJCM-UHFFFAOYSA-N -1 1 382.348 -0.610 20 0 GBADMM COc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000821831950 606291748 /nfs/dbraw/zinc/29/17/48/606291748.db2.gz ULQGQHGRRPEWOW-UHFFFAOYSA-N -1 1 385.388 -0.132 20 0 GBADMM COc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000821831950 606291746 /nfs/dbraw/zinc/29/17/46/606291746.db2.gz ULQGQHGRRPEWOW-UHFFFAOYSA-N -1 1 385.388 -0.132 20 0 GBADMM COc1ccc(OC)c2c1CN(C(=O)Cn1cnc(-c3nn[n-]n3)n1)C[C@@H]2O ZINC000821841280 607207289 /nfs/dbraw/zinc/20/72/89/607207289.db2.gz GSNPSUBORRWUMP-JTQLQIEISA-N -1 1 386.372 -0.449 20 0 GBADMM COc1ccc(OC)c2c1CN(C(=O)Cn1cnc(-c3nn[n-]n3)n1)C[C@H]2O ZINC000821841289 607207236 /nfs/dbraw/zinc/20/72/36/607207236.db2.gz GSNPSUBORRWUMP-SNVBAGLBSA-N -1 1 386.372 -0.449 20 0 GBADMM COc1ccc(OC)c(CN(CCO)C(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821842958 945885775 /nfs/dbraw/zinc/88/57/75/945885775.db2.gz WWYILJLMPJVPBC-UHFFFAOYSA-N -1 1 388.388 -0.504 20 0 GBADMM COc1cccc([C@H]2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCO2)c1 ZINC000821862494 607039552 /nfs/dbraw/zinc/03/95/52/607039552.db2.gz CBLOLJJYUGFGBO-CYBMUJFWSA-N -1 1 399.411 -0.149 20 0 GBADMM COc1cccc([C@@H]2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCO2)c1 ZINC000821862498 607039876 /nfs/dbraw/zinc/03/98/76/607039876.db2.gz CBLOLJJYUGFGBO-ZDUSSCGKSA-N -1 1 399.411 -0.149 20 0 GBADMM COc1cccc(N2C[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2=O)c1 ZINC000821871838 607212774 /nfs/dbraw/zinc/21/27/74/607212774.db2.gz FYPRKAIBRQCBOQ-JTQLQIEISA-N -1 1 383.372 -0.612 20 0 GBADMM COc1cccc(N2C[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2=O)c1 ZINC000821871839 607212638 /nfs/dbraw/zinc/21/26/38/607212638.db2.gz FYPRKAIBRQCBOQ-SNVBAGLBSA-N -1 1 383.372 -0.612 20 0 GBADMM COc1ccccc1C(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821882508 607207209 /nfs/dbraw/zinc/20/72/09/607207209.db2.gz CPJYABWVHUVENO-UHFFFAOYSA-N -1 1 397.399 -0.549 20 0 GBADMM COc1ccccc1CN1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821897707 607213426 /nfs/dbraw/zinc/21/34/26/607213426.db2.gz JXBQRKRYEMJGKC-UHFFFAOYSA-N -1 1 383.416 -0.189 20 0 GBADMM COc1ccccc1N1CC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821898086 606809637 /nfs/dbraw/zinc/80/96/37/606809637.db2.gz MPKRKQLDLLIPCO-LLVKDONJSA-N -1 1 398.427 -0.037 20 0 GBADMM COc1ccccc1N1CC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821898090 606809295 /nfs/dbraw/zinc/80/92/95/606809295.db2.gz MPKRKQLDLLIPCO-NSHDSACASA-N -1 1 398.427 -0.037 20 0 GBADMM COc1ccccc1N1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1=O ZINC000821898583 607223290 /nfs/dbraw/zinc/22/32/90/607223290.db2.gz QMMFVAQUSOLHKF-JTQLQIEISA-N -1 1 383.372 -0.612 20 0 GBADMM COc1ccccc1N1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1=O ZINC000821898585 607223149 /nfs/dbraw/zinc/22/31/49/607223149.db2.gz QMMFVAQUSOLHKF-SNVBAGLBSA-N -1 1 383.372 -0.612 20 0 GBADMM COc1ccnc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000821903053 606161514 /nfs/dbraw/zinc/16/15/14/606161514.db2.gz ACQRBBLUSNHCOT-UHFFFAOYSA-N -1 1 385.392 -0.247 20 0 GBADMM COc1ccnc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000821903053 606161512 /nfs/dbraw/zinc/16/15/12/606161512.db2.gz ACQRBBLUSNHCOT-UHFFFAOYSA-N -1 1 385.392 -0.247 20 0 GBADMM COc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000821910634 606822396 /nfs/dbraw/zinc/82/23/96/606822396.db2.gz FVPAISORXWUYNI-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000821910634 606822395 /nfs/dbraw/zinc/82/23/95/606822395.db2.gz FVPAISORXWUYNI-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000821910636 606822790 /nfs/dbraw/zinc/82/27/90/606822790.db2.gz FVPAISORXWUYNI-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000821910636 606822787 /nfs/dbraw/zinc/82/27/87/606822787.db2.gz FVPAISORXWUYNI-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821931266 606840821 /nfs/dbraw/zinc/84/08/21/606840821.db2.gz BGWWXTACFKVGAF-UHFFFAOYSA-N -1 1 390.422 -0.728 20 0 GBADMM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821931785 599345403 /nfs/dbraw/zinc/34/54/03/599345403.db2.gz HGQCVVAJRIHBCN-MRVPVSSYSA-N -1 1 390.422 -0.682 20 0 GBADMM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821931785 599345401 /nfs/dbraw/zinc/34/54/01/599345401.db2.gz HGQCVVAJRIHBCN-MRVPVSSYSA-N -1 1 390.422 -0.682 20 0 GBADMM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821931789 599345409 /nfs/dbraw/zinc/34/54/09/599345409.db2.gz HGQCVVAJRIHBCN-QMMMGPOBSA-N -1 1 390.422 -0.682 20 0 GBADMM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821931789 599345407 /nfs/dbraw/zinc/34/54/07/599345407.db2.gz HGQCVVAJRIHBCN-QMMMGPOBSA-N -1 1 390.422 -0.682 20 0 GBADMM CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821931992 599336227 /nfs/dbraw/zinc/33/62/27/599336227.db2.gz IDVFXRGOXGEWBK-UHFFFAOYSA-N -1 1 390.422 -0.728 20 0 GBADMM CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821931992 599336224 /nfs/dbraw/zinc/33/62/24/599336224.db2.gz IDVFXRGOXGEWBK-UHFFFAOYSA-N -1 1 390.422 -0.728 20 0 GBADMM CS(=O)(=O)N1CCN(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000821932803 607109876 /nfs/dbraw/zinc/10/98/76/607109876.db2.gz RNSSZFXGVBAVIF-UHFFFAOYSA-N -1 1 381.418 -0.912 20 0 GBADMM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821932865 606843969 /nfs/dbraw/zinc/84/39/69/606843969.db2.gz SQYZIAIFGYZVGJ-SECBINFHSA-N -1 1 390.422 -0.682 20 0 GBADMM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821932866 606844108 /nfs/dbraw/zinc/84/41/08/606844108.db2.gz SQYZIAIFGYZVGJ-VIFPVBQESA-N -1 1 390.422 -0.682 20 0 GBADMM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821933128 606531296 /nfs/dbraw/zinc/53/12/96/606531296.db2.gz VIKQMWNPKROTIR-UHFFFAOYSA-N -1 1 385.475 -0.765 20 0 GBADMM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821933128 606531295 /nfs/dbraw/zinc/53/12/95/606531295.db2.gz VIKQMWNPKROTIR-UHFFFAOYSA-N -1 1 385.475 -0.765 20 0 GBADMM CS(=O)(=O)c1ccc(OCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821936864 607215387 /nfs/dbraw/zinc/21/53/87/607215387.db2.gz HAQGMJBUBJGUSF-UHFFFAOYSA-N -1 1 392.401 -0.943 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1-c1nn[n-]n1 ZINC000821979825 606293982 /nfs/dbraw/zinc/29/39/82/606293982.db2.gz YUXBEGUIYXUMMB-SECBINFHSA-N -1 1 391.413 -0.045 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc1-c1nn[n-]n1 ZINC000821979826 606294213 /nfs/dbraw/zinc/29/42/13/606294213.db2.gz YUXBEGUIYXUMMB-VIFPVBQESA-N -1 1 391.413 -0.045 20 0 GBADMM C[C@H](NC(=O)c1ccco1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822000395 945915955 /nfs/dbraw/zinc/91/59/55/945915955.db2.gz NOYYIECIXXQCRY-VIFPVBQESA-N -1 1 387.404 -0.026 20 0 GBADMM C[C@H](NC(=O)c1ccco1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822000395 945915945 /nfs/dbraw/zinc/91/59/45/945915945.db2.gz NOYYIECIXXQCRY-VIFPVBQESA-N -1 1 387.404 -0.026 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN(CCO)CC1 ZINC000822004377 606196890 /nfs/dbraw/zinc/19/68/90/606196890.db2.gz GJTZQGSGTWJFAX-UHFFFAOYSA-N -1 1 375.433 -0.347 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN1CCOCC1 ZINC000822004397 606193962 /nfs/dbraw/zinc/19/39/62/606193962.db2.gz GRDBKMMJWNFXPT-UHFFFAOYSA-N -1 1 375.433 -0.035 20 0 GBADMM Cc1n[nH]cc1S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822015482 606848968 /nfs/dbraw/zinc/84/89/68/606848968.db2.gz KMMZVVHSXUZPRV-SECBINFHSA-N -1 1 390.433 -0.412 20 0 GBADMM Cc1n[nH]cc1S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822015482 606848966 /nfs/dbraw/zinc/84/89/66/606848966.db2.gz KMMZVVHSXUZPRV-SECBINFHSA-N -1 1 390.433 -0.412 20 0 GBADMM Cc1n[nH]cc1S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822015483 606849280 /nfs/dbraw/zinc/84/92/80/606849280.db2.gz KMMZVVHSXUZPRV-VIFPVBQESA-N -1 1 390.433 -0.412 20 0 GBADMM Cc1n[nH]cc1S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822015483 606849279 /nfs/dbraw/zinc/84/92/79/606849279.db2.gz KMMZVVHSXUZPRV-VIFPVBQESA-N -1 1 390.433 -0.412 20 0 GBADMM Cc1cc(C(=O)N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c(C)o1 ZINC000822167699 607210762 /nfs/dbraw/zinc/21/07/62/607210762.db2.gz GIGZSHBIIVUNEX-UHFFFAOYSA-N -1 1 385.388 -0.347 20 0 GBADMM Cc1cc([C@@](C)(O)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(C)o1 ZINC000822192095 599576719 /nfs/dbraw/zinc/57/67/19/599576719.db2.gz YUCRGDUZCNXTAZ-INIZCTEOSA-N -1 1 375.389 -0.206 20 0 GBADMM Cc1cc([C@](C)(O)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(C)o1 ZINC000822192096 599576747 /nfs/dbraw/zinc/57/67/47/599576747.db2.gz YUCRGDUZCNXTAZ-MRXNPFEDSA-N -1 1 375.389 -0.206 20 0 GBADMM Cc1cc(C)n(-c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)n1 ZINC000822197890 607208053 /nfs/dbraw/zinc/20/80/53/607208053.db2.gz SZRVJCSEHSGBPL-UHFFFAOYSA-N -1 1 379.388 -0.028 20 0 GBADMM Cc1cc(N2CCC(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)nc(C)n1 ZINC000822205877 607221502 /nfs/dbraw/zinc/22/15/02/607221502.db2.gz LSIZACLJZQSTIK-UHFFFAOYSA-N -1 1 383.420 -0.350 20 0 GBADMM Cc1cc(N2CC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822206183 606159058 /nfs/dbraw/zinc/15/90/58/606159058.db2.gz XILZZJNMFHTAGD-JTQLQIEISA-N -1 1 385.392 -0.431 20 0 GBADMM Cc1cc(N2CC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822206183 606159056 /nfs/dbraw/zinc/15/90/56/606159056.db2.gz XILZZJNMFHTAGD-JTQLQIEISA-N -1 1 385.392 -0.431 20 0 GBADMM Cc1cc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822206184 606159002 /nfs/dbraw/zinc/15/90/02/606159002.db2.gz XILZZJNMFHTAGD-SNVBAGLBSA-N -1 1 385.392 -0.431 20 0 GBADMM Cc1cc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822206184 606158999 /nfs/dbraw/zinc/15/89/99/606158999.db2.gz XILZZJNMFHTAGD-SNVBAGLBSA-N -1 1 385.392 -0.431 20 0 GBADMM Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000822206828 606832294 /nfs/dbraw/zinc/83/22/94/606832294.db2.gz ATQKJOFUBOELDA-SECBINFHSA-N -1 1 398.387 -0.371 20 0 GBADMM Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000822206828 606832292 /nfs/dbraw/zinc/83/22/92/606832292.db2.gz ATQKJOFUBOELDA-SECBINFHSA-N -1 1 398.387 -0.371 20 0 GBADMM Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000822206829 606831994 /nfs/dbraw/zinc/83/19/94/606831994.db2.gz ATQKJOFUBOELDA-VIFPVBQESA-N -1 1 398.387 -0.371 20 0 GBADMM Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000822206829 606831992 /nfs/dbraw/zinc/83/19/92/606831992.db2.gz ATQKJOFUBOELDA-VIFPVBQESA-N -1 1 398.387 -0.371 20 0 GBADMM Cc1cc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207145 606158779 /nfs/dbraw/zinc/15/87/79/606158779.db2.gz MJUYHCKKSCLYKK-LLVKDONJSA-N -1 1 399.419 -0.041 20 0 GBADMM Cc1cc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207145 606158777 /nfs/dbraw/zinc/15/87/77/606158777.db2.gz MJUYHCKKSCLYKK-LLVKDONJSA-N -1 1 399.419 -0.041 20 0 GBADMM Cc1cc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207146 606159070 /nfs/dbraw/zinc/15/90/70/606159070.db2.gz MJUYHCKKSCLYKK-NSHDSACASA-N -1 1 399.419 -0.041 20 0 GBADMM Cc1cc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207146 606159069 /nfs/dbraw/zinc/15/90/69/606159069.db2.gz MJUYHCKKSCLYKK-NSHDSACASA-N -1 1 399.419 -0.041 20 0 GBADMM Cc1cc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)nc(C)n1 ZINC000822207393 607216134 /nfs/dbraw/zinc/21/61/34/607216134.db2.gz UXYVYMDEUPKVKH-GFCCVEGCSA-N -1 1 383.420 -0.350 20 0 GBADMM Cc1cc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)nc(C)n1 ZINC000822207394 607216155 /nfs/dbraw/zinc/21/61/55/607216155.db2.gz UXYVYMDEUPKVKH-LBPRGKRZSA-N -1 1 383.420 -0.350 20 0 GBADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n(C)n1 ZINC000822207405 606779150 /nfs/dbraw/zinc/77/91/50/606779150.db2.gz VIFUGZHBOKTGCT-GFCCVEGCSA-N -1 1 397.447 -0.152 20 0 GBADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n(C)n1 ZINC000822207405 606779148 /nfs/dbraw/zinc/77/91/48/606779148.db2.gz VIFUGZHBOKTGCT-GFCCVEGCSA-N -1 1 397.447 -0.152 20 0 GBADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n(C)n1 ZINC000822207406 606779721 /nfs/dbraw/zinc/77/97/21/606779721.db2.gz VIFUGZHBOKTGCT-LBPRGKRZSA-N -1 1 397.447 -0.152 20 0 GBADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n(C)n1 ZINC000822207406 606779720 /nfs/dbraw/zinc/77/97/20/606779720.db2.gz VIFUGZHBOKTGCT-LBPRGKRZSA-N -1 1 397.447 -0.152 20 0 GBADMM Cc1ccc(C(=O)N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)s1 ZINC000822226536 607209594 /nfs/dbraw/zinc/20/95/94/607209594.db2.gz XKUSEQUDEFSLBC-UHFFFAOYSA-N -1 1 387.429 -0.187 20 0 GBADMM Cc1ccc([C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)N2CCOCC2)cc1 ZINC000822230265 607208797 /nfs/dbraw/zinc/20/87/97/607208797.db2.gz AQKFQNFFRPZTCR-HNNXBMFYSA-N -1 1 397.443 -0.044 20 0 GBADMM Cc1ccc([C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)N2CCOCC2)cc1 ZINC000822230266 607208789 /nfs/dbraw/zinc/20/87/89/607208789.db2.gz AQKFQNFFRPZTCR-OAHLLOKOSA-N -1 1 397.443 -0.044 20 0 GBADMM Cc1ccc(CC(=O)N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000822233841 607212794 /nfs/dbraw/zinc/21/27/94/607212794.db2.gz WHOQLBADEMVFAE-UHFFFAOYSA-N -1 1 395.427 -0.320 20 0 GBADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(N2CCOCC2)c1 ZINC000822237183 607222247 /nfs/dbraw/zinc/22/22/47/607222247.db2.gz IUHCKNLLCOKOCT-UHFFFAOYSA-N -1 1 383.416 -0.080 20 0 GBADMM Cc1ccc(N(C)C2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)nn1 ZINC000822240833 607215440 /nfs/dbraw/zinc/21/54/40/607215440.db2.gz ARJSFYAZNMJOCN-UHFFFAOYSA-N -1 1 383.420 -0.316 20 0 GBADMM Cc1ccc(N2CC[C@@H](Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2=O)cc1 ZINC000822241453 599591428 /nfs/dbraw/zinc/59/14/28/599591428.db2.gz XFCPIKGCGNIHNX-GFCCVEGCSA-N -1 1 396.411 -0.210 20 0 GBADMM Cc1ccc(N2CC[C@H](Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2=O)cc1 ZINC000822241454 599590867 /nfs/dbraw/zinc/59/08/67/599590867.db2.gz XFCPIKGCGNIHNX-LBPRGKRZSA-N -1 1 396.411 -0.210 20 0 GBADMM Cc1ccc(N2CCC[C@@H](N(C)C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)nn1 ZINC000822241487 607218561 /nfs/dbraw/zinc/21/85/61/607218561.db2.gz XYQGCWPDKFJSCA-GFCCVEGCSA-N -1 1 383.420 -0.316 20 0 GBADMM Cc1ccc(N2CCC[C@H](N(C)C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)nn1 ZINC000822241488 607218415 /nfs/dbraw/zinc/21/84/15/607218415.db2.gz XYQGCWPDKFJSCA-LBPRGKRZSA-N -1 1 383.420 -0.316 20 0 GBADMM Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)n1 ZINC000822242798 606734666 /nfs/dbraw/zinc/73/46/66/606734666.db2.gz XZFLGZBRYCUOJG-UHFFFAOYSA-N -1 1 384.404 -0.129 20 0 GBADMM Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)n1 ZINC000822242798 606734662 /nfs/dbraw/zinc/73/46/62/606734662.db2.gz XZFLGZBRYCUOJG-UHFFFAOYSA-N -1 1 384.404 -0.129 20 0 GBADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OCC(=O)N(C)C)c1 ZINC000822248366 607210529 /nfs/dbraw/zinc/21/05/29/607210529.db2.gz BLWZIZBYWDPMDZ-UHFFFAOYSA-N -1 1 385.388 -0.128 20 0 GBADMM Cc1ccc(NS(C)(=O)=O)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822259207 607219772 /nfs/dbraw/zinc/21/97/72/607219772.db2.gz PHVHMRWYYYPCKQ-UHFFFAOYSA-N -1 1 377.390 -0.223 20 0 GBADMM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000822266545 607324246 /nfs/dbraw/zinc/32/42/46/607324246.db2.gz CIUNKOQDQRGXQH-VIFPVBQESA-N -1 1 376.402 -0.039 20 0 GBADMM Cc1cccc([C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)N2CCOCC2)c1 ZINC000822288973 607207344 /nfs/dbraw/zinc/20/73/44/607207344.db2.gz OHMORKZBOMGSEF-HNNXBMFYSA-N -1 1 397.443 -0.044 20 0 GBADMM Cc1cccc([C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)N2CCOCC2)c1 ZINC000822288975 607207446 /nfs/dbraw/zinc/20/74/46/607207446.db2.gz OHMORKZBOMGSEF-OAHLLOKOSA-N -1 1 397.443 -0.044 20 0 GBADMM Cc1ccccc1CC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822351761 607212777 /nfs/dbraw/zinc/21/27/77/607212777.db2.gz QCYKPXRCXIAEGG-UHFFFAOYSA-N -1 1 395.427 -0.320 20 0 GBADMM Cc1cccn2cc(CCNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)nc12 ZINC000822366373 606139404 /nfs/dbraw/zinc/13/94/04/606139404.db2.gz IYQOFFKDHKQVEL-UHFFFAOYSA-N -1 1 381.400 -0.125 20 0 GBADMM Cc1ccnc(N2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000822373920 607038974 /nfs/dbraw/zinc/03/89/74/607038974.db2.gz GAKXEYBMFDOONO-UHFFFAOYSA-N -1 1 383.416 -0.706 20 0 GBADMM Cc1cnc(N2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)s1 ZINC000822394472 606481339 /nfs/dbraw/zinc/48/13/39/606481339.db2.gz ALBKCDKTUINKCV-UHFFFAOYSA-N -1 1 389.445 -0.644 20 0 GBADMM Cc1conc1NC(=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822402521 607438777 /nfs/dbraw/zinc/43/87/77/607438777.db2.gz CKDQDTVYGITLKC-JTQLQIEISA-N -1 1 398.387 -0.371 20 0 GBADMM Cc1conc1NC(=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822402521 607438775 /nfs/dbraw/zinc/43/87/75/607438775.db2.gz CKDQDTVYGITLKC-JTQLQIEISA-N -1 1 398.387 -0.371 20 0 GBADMM Cc1conc1NC(=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822402522 607438832 /nfs/dbraw/zinc/43/88/32/607438832.db2.gz CKDQDTVYGITLKC-SNVBAGLBSA-N -1 1 398.387 -0.371 20 0 GBADMM Cc1conc1NC(=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822402522 607438830 /nfs/dbraw/zinc/43/88/30/607438830.db2.gz CKDQDTVYGITLKC-SNVBAGLBSA-N -1 1 398.387 -0.371 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCO[C@@H](C)[C@H]3C)CC2)o1 ZINC000822422863 607105240 /nfs/dbraw/zinc/10/52/40/607105240.db2.gz DWOPDCTXVIAZMH-NEPJUHHUSA-N -1 1 390.448 -0.079 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCO[C@H](C)[C@@H]3C)CC2)o1 ZINC000822422866 607105265 /nfs/dbraw/zinc/10/52/65/607105265.db2.gz DWOPDCTXVIAZMH-NWDGAFQWSA-N -1 1 390.448 -0.079 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCO[C@@H](C)[C@@H]3C)CC2)o1 ZINC000822422868 607105064 /nfs/dbraw/zinc/10/50/64/607105064.db2.gz DWOPDCTXVIAZMH-RYUDHWBXSA-N -1 1 390.448 -0.079 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCO[C@H](C)[C@H]3C)CC2)o1 ZINC000822422869 607105045 /nfs/dbraw/zinc/10/50/45/607105045.db2.gz DWOPDCTXVIAZMH-VXGBXAGGSA-N -1 1 390.448 -0.079 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)c3cc[nH]c3)CC2)o1 ZINC000822423013 606148904 /nfs/dbraw/zinc/14/89/04/606148904.db2.gz GZGJUTRMLLLUBI-UHFFFAOYSA-N -1 1 386.372 -0.003 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3C[C@H]4CC[C@@H](C3)O4)CC2)o1 ZINC000822423695 599691244 /nfs/dbraw/zinc/69/12/44/599691244.db2.gz MRTPAFAZWVRUMK-BETUJISGSA-N -1 1 388.432 -0.325 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)c3cnn(C)c3)CC2)o1 ZINC000822424168 606085060 /nfs/dbraw/zinc/08/50/60/606085060.db2.gz SKBBJOONTBKSEN-UHFFFAOYSA-N -1 1 386.420 -0.318 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)Cc3cn[nH]c3)CC2)o1 ZINC000822424180 946087523 /nfs/dbraw/zinc/08/75/23/946087523.db2.gz SSYYVQHMLBYXKU-UHFFFAOYSA-N -1 1 386.420 -0.333 20 0 GBADMM Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@](C)(O)C3)CC2)o1 ZINC000822424256 946085057 /nfs/dbraw/zinc/08/50/57/946085057.db2.gz VBIUALZLPOTHGS-INIZCTEOSA-N -1 1 376.421 -0.732 20 0 GBADMM Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@](C)(O)C3)CC2)o1 ZINC000822424260 946086535 /nfs/dbraw/zinc/08/65/35/946086535.db2.gz VBIUALZLPOTHGS-MRXNPFEDSA-N -1 1 376.421 -0.732 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)Cc3cnccn3)CC2)o1 ZINC000822424499 606076815 /nfs/dbraw/zinc/07/68/15/606076815.db2.gz WKAYJCDIFIOXQJ-UHFFFAOYSA-N -1 1 398.431 -0.266 20 0 GBADMM Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](CCO)C(C)C)CC2)o1 ZINC000822424665 946084916 /nfs/dbraw/zinc/08/49/16/946084916.db2.gz YOTSINDXPUOSIR-UHFFFAOYSA-N -1 1 378.437 -0.486 20 0 GBADMM Cc1nc(C)c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000822431624 606836090 /nfs/dbraw/zinc/83/60/90/606836090.db2.gz CMIHYBDMTLOURS-UHFFFAOYSA-N -1 1 390.433 -0.067 20 0 GBADMM Cc1nc(C)c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000822431624 606836088 /nfs/dbraw/zinc/83/60/88/606836088.db2.gz CMIHYBDMTLOURS-UHFFFAOYSA-N -1 1 390.433 -0.067 20 0 GBADMM Cc1nc(CN2CCC[C@@H](N(C)C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)no1 ZINC000822441099 607219581 /nfs/dbraw/zinc/21/95/81/607219581.db2.gz STPNOPLTDSYUFD-LLVKDONJSA-N -1 1 387.408 -0.727 20 0 GBADMM Cc1nc(CN2CCC[C@H](N(C)C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)no1 ZINC000822441100 607219659 /nfs/dbraw/zinc/21/96/59/607219659.db2.gz STPNOPLTDSYUFD-NSHDSACASA-N -1 1 387.408 -0.727 20 0 GBADMM Cc1nc(CN2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cs1 ZINC000822441420 607215454 /nfs/dbraw/zinc/21/54/54/607215454.db2.gz ZHCFCMAQHZKZJF-UHFFFAOYSA-N -1 1 388.461 -0.042 20 0 GBADMM Cc1nc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000822444375 606795046 /nfs/dbraw/zinc/79/50/46/606795046.db2.gz ODIITGHRJXWLOU-SECBINFHSA-N -1 1 385.392 -0.232 20 0 GBADMM Cc1nc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000822444375 606795045 /nfs/dbraw/zinc/79/50/45/606795045.db2.gz ODIITGHRJXWLOU-SECBINFHSA-N -1 1 385.392 -0.232 20 0 GBADMM Cc1nc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000822444376 606794802 /nfs/dbraw/zinc/79/48/02/606794802.db2.gz ODIITGHRJXWLOU-VIFPVBQESA-N -1 1 385.392 -0.232 20 0 GBADMM Cc1nc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000822444376 606794799 /nfs/dbraw/zinc/79/47/99/606794799.db2.gz ODIITGHRJXWLOU-VIFPVBQESA-N -1 1 385.392 -0.232 20 0 GBADMM Cc1nc(N2CCOCC2)ccc1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000822449816 607305943 /nfs/dbraw/zinc/30/59/43/607305943.db2.gz QDPLEUJQSQUZTF-UHFFFAOYSA-N -1 1 399.415 -0.452 20 0 GBADMM Cc1nc(N(C)C)nc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822449990 607174718 /nfs/dbraw/zinc/17/47/18/607174718.db2.gz YAHHEINDMLTKKV-JTQLQIEISA-N -1 1 382.436 -0.069 20 0 GBADMM Cc1nc(N(C)C)nc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822449990 607174717 /nfs/dbraw/zinc/17/47/17/607174717.db2.gz YAHHEINDMLTKKV-JTQLQIEISA-N -1 1 382.436 -0.069 20 0 GBADMM Cc1nc(N(C)C)nc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822449991 607174644 /nfs/dbraw/zinc/17/46/44/607174644.db2.gz YAHHEINDMLTKKV-SNVBAGLBSA-N -1 1 382.436 -0.069 20 0 GBADMM Cc1nc(N(C)C)nc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822449991 607174643 /nfs/dbraw/zinc/17/46/43/607174643.db2.gz YAHHEINDMLTKKV-SNVBAGLBSA-N -1 1 382.436 -0.069 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cn1C ZINC000822453957 607042077 /nfs/dbraw/zinc/04/20/77/607042077.db2.gz QJHNEJRWYDOSCF-UHFFFAOYSA-N -1 1 390.433 -0.790 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cn1C ZINC000822453957 607042075 /nfs/dbraw/zinc/04/20/75/607042075.db2.gz QJHNEJRWYDOSCF-UHFFFAOYSA-N -1 1 390.433 -0.790 20 0 GBADMM Cc1nc(S(=O)(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1C ZINC000822454335 606295458 /nfs/dbraw/zinc/29/54/58/606295458.db2.gz VSTLVGNROASWEO-UHFFFAOYSA-N -1 1 392.401 -0.469 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cn1C ZINC000822454627 607041868 /nfs/dbraw/zinc/04/18/68/607041868.db2.gz ZROWCKNNSCSRSL-UHFFFAOYSA-N -1 1 389.445 -0.185 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cn1C ZINC000822454627 607041867 /nfs/dbraw/zinc/04/18/67/607041867.db2.gz ZROWCKNNSCSRSL-UHFFFAOYSA-N -1 1 389.445 -0.185 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCn1ncnn1 ZINC000822458036 606774221 /nfs/dbraw/zinc/77/42/21/606774221.db2.gz BZFCBCJLKQTZHP-UHFFFAOYSA-N -1 1 382.392 -0.738 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCn1ncnn1 ZINC000822458036 606774219 /nfs/dbraw/zinc/77/42/19/606774219.db2.gz BZFCBCJLKQTZHP-UHFFFAOYSA-N -1 1 382.392 -0.738 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000822458546 607446927 /nfs/dbraw/zinc/44/69/27/607446927.db2.gz DPZUSZFHSLEVDG-GFCCVEGCSA-N -1 1 397.399 -0.620 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000822458546 607446926 /nfs/dbraw/zinc/44/69/26/607446926.db2.gz DPZUSZFHSLEVDG-GFCCVEGCSA-N -1 1 397.399 -0.620 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCC(=O)NC1=O ZINC000822458551 607446878 /nfs/dbraw/zinc/44/68/78/607446878.db2.gz DPZUSZFHSLEVDG-LBPRGKRZSA-N -1 1 397.399 -0.620 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCC(=O)NC1=O ZINC000822458551 607446876 /nfs/dbraw/zinc/44/68/76/607446876.db2.gz DPZUSZFHSLEVDG-LBPRGKRZSA-N -1 1 397.399 -0.620 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCO[C@@H](CO)C1 ZINC000822458952 607230744 /nfs/dbraw/zinc/23/07/44/607230744.db2.gz KISWETADKJCGJZ-GFCCVEGCSA-N -1 1 386.416 -0.321 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCO[C@@H](CO)C1 ZINC000822458952 607230743 /nfs/dbraw/zinc/23/07/43/607230743.db2.gz KISWETADKJCGJZ-GFCCVEGCSA-N -1 1 386.416 -0.321 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCO[C@H](CO)C1 ZINC000822458953 607230689 /nfs/dbraw/zinc/23/06/89/607230689.db2.gz KISWETADKJCGJZ-LBPRGKRZSA-N -1 1 386.416 -0.321 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCO[C@H](CO)C1 ZINC000822458953 607230688 /nfs/dbraw/zinc/23/06/88/607230688.db2.gz KISWETADKJCGJZ-LBPRGKRZSA-N -1 1 386.416 -0.321 20 0 GBADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822459285 607217454 /nfs/dbraw/zinc/21/74/54/607217454.db2.gz PSKNZYGPIAMDLV-UHFFFAOYSA-N -1 1 383.376 -0.621 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000822459581 606688523 /nfs/dbraw/zinc/68/85/23/606688523.db2.gz SZXDJCMQRHAZST-TXEJJXNPSA-N -1 1 386.416 -0.587 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000822459581 606688522 /nfs/dbraw/zinc/68/85/22/606688522.db2.gz SZXDJCMQRHAZST-TXEJJXNPSA-N -1 1 386.416 -0.587 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cc(C(N)=O)[nH]n1 ZINC000822459781 607187876 /nfs/dbraw/zinc/18/78/76/607187876.db2.gz WDIFLGXKUVGYQZ-UHFFFAOYSA-N -1 1 395.387 -0.080 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cc(C(N)=O)[nH]n1 ZINC000822459781 607187875 /nfs/dbraw/zinc/18/78/75/607187875.db2.gz WDIFLGXKUVGYQZ-UHFFFAOYSA-N -1 1 395.387 -0.080 20 0 GBADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822491748 607217460 /nfs/dbraw/zinc/21/74/60/607217460.db2.gz FLTHCZPGOLZNEK-UHFFFAOYSA-N -1 1 385.436 -0.847 20 0 GBADMM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822496320 599319652 /nfs/dbraw/zinc/31/96/52/599319652.db2.gz JHDJCFKBKKASGT-SSDOTTSWSA-N -1 1 394.421 -0.997 20 0 GBADMM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822496321 599319059 /nfs/dbraw/zinc/31/90/59/599319059.db2.gz JHDJCFKBKKASGT-ZETCQYMHSA-N -1 1 394.421 -0.997 20 0 GBADMM Cc1nn(CC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)c(-c2nn[n-]n2)c1C ZINC000822496370 607161134 /nfs/dbraw/zinc/16/11/34/607161134.db2.gz KTDLMKBCJPWBFQ-UHFFFAOYSA-N -1 1 393.363 -0.094 20 0 GBADMM Cc1nn(CCC(=O)NC(=O)NCC(F)(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC000822501067 606311195 /nfs/dbraw/zinc/31/11/95/606311195.db2.gz UEYXJNCIIIKISA-UHFFFAOYSA-N -1 1 388.310 -0.182 20 0 GBADMM Cc1noc(CCNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822527851 606791924 /nfs/dbraw/zinc/79/19/24/606791924.db2.gz HCDOQLOIKQRHFF-JTQLQIEISA-N -1 1 399.419 -0.189 20 0 GBADMM Cc1noc(CCNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822527851 606791922 /nfs/dbraw/zinc/79/19/22/606791922.db2.gz HCDOQLOIKQRHFF-JTQLQIEISA-N -1 1 399.419 -0.189 20 0 GBADMM Cc1noc(CCNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822527852 606791667 /nfs/dbraw/zinc/79/16/67/606791667.db2.gz HCDOQLOIKQRHFF-SNVBAGLBSA-N -1 1 399.419 -0.189 20 0 GBADMM Cc1noc(CCNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822527852 606791666 /nfs/dbraw/zinc/79/16/66/606791666.db2.gz HCDOQLOIKQRHFF-SNVBAGLBSA-N -1 1 399.419 -0.189 20 0 GBADMM Cc1noc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822528186 606794894 /nfs/dbraw/zinc/79/48/94/606794894.db2.gz WMTMEYNDJPLBOJ-SECBINFHSA-N -1 1 385.392 -0.232 20 0 GBADMM Cc1noc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822528186 606794891 /nfs/dbraw/zinc/79/48/91/606794891.db2.gz WMTMEYNDJPLBOJ-SECBINFHSA-N -1 1 385.392 -0.232 20 0 GBADMM Cc1noc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822528187 606795132 /nfs/dbraw/zinc/79/51/32/606795132.db2.gz WMTMEYNDJPLBOJ-VIFPVBQESA-N -1 1 385.392 -0.232 20 0 GBADMM Cc1noc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822528187 606795129 /nfs/dbraw/zinc/79/51/29/606795129.db2.gz WMTMEYNDJPLBOJ-VIFPVBQESA-N -1 1 385.392 -0.232 20 0 GBADMM Cc1nsc(N2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)n1 ZINC000822530709 607220175 /nfs/dbraw/zinc/22/01/75/607220175.db2.gz NOLOUGBOZDXPSY-UHFFFAOYSA-N -1 1 375.422 -0.643 20 0 GBADMM Cc1nsc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000822531162 599357367 /nfs/dbraw/zinc/35/73/67/599357367.db2.gz VNWDHEICHJSTIW-UHFFFAOYSA-N -1 1 393.458 -0.067 20 0 GBADMM Cc1nsc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000822531162 599357366 /nfs/dbraw/zinc/35/73/66/599357366.db2.gz VNWDHEICHJSTIW-UHFFFAOYSA-N -1 1 393.458 -0.067 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000822535529 607229259 /nfs/dbraw/zinc/22/92/59/607229259.db2.gz VPNARIQVFCTTHG-JTQLQIEISA-N -1 1 396.367 -0.065 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000822535530 607229060 /nfs/dbraw/zinc/22/90/60/607229060.db2.gz VPNARIQVFCTTHG-SNVBAGLBSA-N -1 1 396.367 -0.065 20 0 GBADMM Cc1oc(NC(=O)CN(C)CCN2CCCS2(=O)=O)c(-c2nn[n-]n2)c1C ZINC000822548516 606506579 /nfs/dbraw/zinc/50/65/79/606506579.db2.gz LLOWYCLZVRTUPH-UHFFFAOYSA-N -1 1 397.461 -0.018 20 0 GBADMM Cc1oc(NC(=O)CN2CCN(C(C)(C)C(N)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000822548755 606094999 /nfs/dbraw/zinc/09/49/99/606094999.db2.gz NDMZNKNTYDVPPQ-UHFFFAOYSA-N -1 1 390.448 -0.103 20 0 GBADMM Cc1oc(NC(=O)CN2CCC[C@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822549169 606073521 /nfs/dbraw/zinc/07/35/21/606073521.db2.gz UPZREHIWVROHGR-JTQLQIEISA-N -1 1 383.434 -0.232 20 0 GBADMM Cc1oc(NC(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822549170 606072892 /nfs/dbraw/zinc/07/28/92/606072892.db2.gz UPZREHIWVROHGR-SNVBAGLBSA-N -1 1 383.434 -0.232 20 0 GBADMM Cc1occc1-c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n(CCO)n1 ZINC000822553717 607213930 /nfs/dbraw/zinc/21/39/30/607213930.db2.gz PQFXJZKLXJUZNY-UHFFFAOYSA-N -1 1 384.360 -0.146 20 0 GBADMM Cn1c2[nH]c(CCC(=O)Nc3ncc(-c4nn[n-]n4)s3)nc2c(=O)[nH]c1=O ZINC000822589921 607106910 /nfs/dbraw/zinc/10/69/10/607106910.db2.gz DJUCIMKIQLNERM-UHFFFAOYSA-N -1 1 388.373 -0.430 20 0 GBADMM Cn1c2[nH]c(CCC(=O)Nc3ncc(-c4nnn[n-]4)s3)nc2c(=O)[nH]c1=O ZINC000822589921 607106908 /nfs/dbraw/zinc/10/69/08/607106908.db2.gz DJUCIMKIQLNERM-UHFFFAOYSA-N -1 1 388.373 -0.430 20 0 GBADMM Cn1c2[nH]c(CCC(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])nc2c(=O)[nH]c1=O ZINC000822590721 606196934 /nfs/dbraw/zinc/19/69/34/606196934.db2.gz NSQNWPHMVGRIBX-UHFFFAOYSA-N -1 1 397.355 -0.181 20 0 GBADMM Cn1c2[nH]c(CCC(=O)OCc3ccnc(-c4nn[n-]n4)c3)nc2c(=O)[nH]c1=O ZINC000822591142 606648741 /nfs/dbraw/zinc/64/87/41/606648741.db2.gz SDFGRIWLPAORJH-UHFFFAOYSA-N -1 1 397.355 -0.387 20 0 GBADMM Cn1c2[nH]c(CCC(=O)OCc3ccnc(-c4nnn[n-]4)c3)nc2c(=O)[nH]c1=O ZINC000822591142 606648740 /nfs/dbraw/zinc/64/87/40/606648740.db2.gz SDFGRIWLPAORJH-UHFFFAOYSA-N -1 1 397.355 -0.387 20 0 GBADMM Cn1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC000822595600 606293046 /nfs/dbraw/zinc/29/30/46/606293046.db2.gz ADENKTOBFLBIHT-UHFFFAOYSA-N -1 1 396.367 -0.286 20 0 GBADMM Cn1c(=O)c2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cnc2n(C)c1=O ZINC000822596189 606295797 /nfs/dbraw/zinc/29/57/97/606295797.db2.gz ISBKESLGHJTDSW-UHFFFAOYSA-N -1 1 394.351 -0.230 20 0 GBADMM Cn1c(=O)c2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cnc2n(C)c1=O ZINC000822596478 606649667 /nfs/dbraw/zinc/64/96/67/606649667.db2.gz LNMVRIWNCMGFQW-UHFFFAOYSA-N -1 1 394.351 -0.436 20 0 GBADMM Cn1c(=O)c2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cnc2n(C)c1=O ZINC000822596478 606649666 /nfs/dbraw/zinc/64/96/66/606649666.db2.gz LNMVRIWNCMGFQW-UHFFFAOYSA-N -1 1 394.351 -0.436 20 0 GBADMM Cn1c(=O)c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)nc2n(C)c1=O ZINC000822596772 606649799 /nfs/dbraw/zinc/64/97/99/606649799.db2.gz RTLQQZHGVAJNGF-UHFFFAOYSA-N -1 1 394.351 -0.436 20 0 GBADMM Cn1c(=O)c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)nc2n(C)c1=O ZINC000822596772 606649798 /nfs/dbraw/zinc/64/97/98/606649798.db2.gz RTLQQZHGVAJNGF-UHFFFAOYSA-N -1 1 394.351 -0.436 20 0 GBADMM Cn1c(=O)c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])nc2n(C)c1=O ZINC000822596850 946133443 /nfs/dbraw/zinc/13/34/43/946133443.db2.gz WPXZYKYLZWDKDU-UHFFFAOYSA-N -1 1 394.351 -0.230 20 0 GBADMM Cn1c(=O)c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)nc2n(C)c1=O ZINC000822596936 607024121 /nfs/dbraw/zinc/02/41/21/607024121.db2.gz ZJKXHRNOXZJXRE-UHFFFAOYSA-N -1 1 385.369 -0.479 20 0 GBADMM Cn1c(=O)c2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)nc2n(C)c1=O ZINC000822596936 607024119 /nfs/dbraw/zinc/02/41/19/607024119.db2.gz ZJKXHRNOXZJXRE-UHFFFAOYSA-N -1 1 385.369 -0.479 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](C(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000822599140 606102147 /nfs/dbraw/zinc/10/21/47/606102147.db2.gz AQDNFCAACJYXAO-SECBINFHSA-N -1 1 377.405 -0.568 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](C(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000822599141 606102729 /nfs/dbraw/zinc/10/27/29/606102729.db2.gz AQDNFCAACJYXAO-VIFPVBQESA-N -1 1 377.405 -0.568 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc([S@@](C)=O)cc2)n(C)c1=O ZINC000822599146 606431273 /nfs/dbraw/zinc/43/12/73/606431273.db2.gz AWZCAUBTFKZKEH-AREMUKBSSA-N -1 1 375.414 -0.386 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc([S@](C)=O)cc2)n(C)c1=O ZINC000822599148 606431135 /nfs/dbraw/zinc/43/11/35/606431135.db2.gz AWZCAUBTFKZKEH-SANMLTNESA-N -1 1 375.414 -0.386 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(CCC(N)=O)Cc2ccccc2)n(C)c1=O ZINC000822599198 607305640 /nfs/dbraw/zinc/30/56/40/607305640.db2.gz BMOSPUWQNWIFKP-UHFFFAOYSA-N -1 1 384.400 -0.854 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)C3CCCC3)C2)n(C)c1=O ZINC000822599313 606792245 /nfs/dbraw/zinc/79/22/45/606792245.db2.gz CVQXLPZVEUWMQO-LLVKDONJSA-N -1 1 388.432 -0.533 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)C3CCCC3)C2)n(C)c1=O ZINC000822599314 606792238 /nfs/dbraw/zinc/79/22/38/606792238.db2.gz CVQXLPZVEUWMQO-NSHDSACASA-N -1 1 388.432 -0.533 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2C[C@@H](O)c2ccco2)n(C)c1=O ZINC000822599548 606950633 /nfs/dbraw/zinc/95/06/33/606950633.db2.gz FGCRVVANHWFHHR-GHMZBOCLSA-N -1 1 387.400 -0.050 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2C[C@H](O)c2ccco2)n(C)c1=O ZINC000822599549 606951080 /nfs/dbraw/zinc/95/10/80/606951080.db2.gz FGCRVVANHWFHHR-MNOVXSKESA-N -1 1 387.400 -0.050 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2C[C@H](O)c2ccco2)n(C)c1=O ZINC000822599550 606950667 /nfs/dbraw/zinc/95/06/67/606950667.db2.gz FGCRVVANHWFHHR-QWRGUYRKSA-N -1 1 387.400 -0.050 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2C[C@@H](O)c2ccco2)n(C)c1=O ZINC000822599551 606951086 /nfs/dbraw/zinc/95/10/86/606951086.db2.gz FGCRVVANHWFHHR-WDEREUQCSA-N -1 1 387.400 -0.050 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC[C@H]2Cc2ccccc2)n(C)c1=O ZINC000822599638 606427893 /nfs/dbraw/zinc/42/78/93/606427893.db2.gz GOFVBXYCDLXMGB-CYBMUJFWSA-N -1 1 383.412 -0.288 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC[C@@H]2Cc2ccccc2)n(C)c1=O ZINC000822599643 606427835 /nfs/dbraw/zinc/42/78/35/606427835.db2.gz GOFVBXYCDLXMGB-ZDUSSCGKSA-N -1 1 383.412 -0.288 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc([C@@H]3CNC(=O)C3)c2)n(C)c1=O ZINC000822599666 607387438 /nfs/dbraw/zinc/38/74/38/607387438.db2.gz GUWGSWYBPLISIN-JTQLQIEISA-N -1 1 382.384 -0.389 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc([C@H]3CNC(=O)C3)c2)n(C)c1=O ZINC000822599672 607387478 /nfs/dbraw/zinc/38/74/78/607387478.db2.gz GUWGSWYBPLISIN-SNVBAGLBSA-N -1 1 382.384 -0.389 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOc2ncccc2Cl)n(C)c1=O ZINC000822599675 606723511 /nfs/dbraw/zinc/72/35/11/606723511.db2.gz GVGDTASHQLVQEZ-UHFFFAOYSA-N -1 1 378.780 -0.197 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3cccc(O)c3)C2)n(C)c1=O ZINC000822599711 607225808 /nfs/dbraw/zinc/22/58/08/607225808.db2.gz HCLGBSJBKCZCRK-GFCCVEGCSA-N -1 1 385.384 -0.452 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](c3cccc(O)c3)C2)n(C)c1=O ZINC000822599714 607225672 /nfs/dbraw/zinc/22/56/72/607225672.db2.gz HCLGBSJBKCZCRK-LBPRGKRZSA-N -1 1 385.384 -0.452 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(O[C@@H]3CCOC3)CC2)n(C)c1=O ZINC000822599761 946133799 /nfs/dbraw/zinc/13/37/99/946133799.db2.gz HJNLPGPKASSFPX-LLVKDONJSA-N -1 1 377.405 -0.962 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(O[C@H]3CCOC3)CC2)n(C)c1=O ZINC000822599767 946132936 /nfs/dbraw/zinc/13/29/36/946132936.db2.gz HJNLPGPKASSFPX-NSHDSACASA-N -1 1 377.405 -0.962 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCC(=O)OCc2ccccc2)n(C)c1=O ZINC000822599825 607031861 /nfs/dbraw/zinc/03/18/61/607031861.db2.gz HSTSWYGHSBBYLZ-UHFFFAOYSA-N -1 1 385.384 -0.191 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(C3(C)OCCO3)CC2)n(C)c1=O ZINC000822599886 606762391 /nfs/dbraw/zinc/76/23/91/606762391.db2.gz HVJQZVIIJWHAPY-UHFFFAOYSA-N -1 1 377.405 -0.757 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC(=O)N(C3CCCCC3)C2)n(C)c1=O ZINC000822599961 607043744 /nfs/dbraw/zinc/04/37/44/607043744.db2.gz ICRJPHOVQNAUAD-JTQLQIEISA-N -1 1 388.432 -0.390 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC(=O)N(C3CCCCC3)C2)n(C)c1=O ZINC000822599964 607043596 /nfs/dbraw/zinc/04/35/96/607043596.db2.gz ICRJPHOVQNAUAD-SNVBAGLBSA-N -1 1 388.432 -0.390 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCN(c3ncccc3F)C2)n(C)c1=O ZINC000822599968 606729988 /nfs/dbraw/zinc/72/99/88/606729988.db2.gz IDAHHYYLGFTNKB-SECBINFHSA-N -1 1 387.379 -0.511 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCN(c3ncccc3F)C2)n(C)c1=O ZINC000822599979 606730157 /nfs/dbraw/zinc/73/01/57/606730157.db2.gz IDAHHYYLGFTNKB-VIFPVBQESA-N -1 1 387.379 -0.511 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(C)(C)NC(=O)OC(C)(C)C)n(C)c1=O ZINC000822600101 599686915 /nfs/dbraw/zinc/68/69/15/599686915.db2.gz JZSGYLPEPHFXTB-UHFFFAOYSA-N -1 1 394.436 -0.021 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(N3CCCNC3=O)c2)n(C)c1=O ZINC000822600209 599081722 /nfs/dbraw/zinc/08/17/22/599081722.db2.gz KTGFGUVUXHHMDN-UHFFFAOYSA-N -1 1 397.399 -0.073 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](OCc3ccccn3)C2)n(C)c1=O ZINC000822600302 607225933 /nfs/dbraw/zinc/22/59/33/607225933.db2.gz LFFPJFNPTTULHD-GFCCVEGCSA-N -1 1 384.400 -0.545 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](OCc3ccccn3)C2)n(C)c1=O ZINC000822600304 607225854 /nfs/dbraw/zinc/22/58/54/607225854.db2.gz LFFPJFNPTTULHD-LBPRGKRZSA-N -1 1 384.400 -0.545 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCN(C3CCCCC3)C2=O)n(C)c1=O ZINC000822600366 607035437 /nfs/dbraw/zinc/03/54/37/607035437.db2.gz MIZFFHQEXDWOLM-LLVKDONJSA-N -1 1 388.432 -0.390 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCN(C3CCCCC3)C2=O)n(C)c1=O ZINC000822600367 607035307 /nfs/dbraw/zinc/03/53/07/607035307.db2.gz MIZFFHQEXDWOLM-NSHDSACASA-N -1 1 388.432 -0.390 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3cccs3)C2)n(C)c1=O ZINC000822600376 606726591 /nfs/dbraw/zinc/72/65/91/606726591.db2.gz MSIKRPAZNBMBIY-SECBINFHSA-N -1 1 375.414 -0.097 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](c3cccs3)C2)n(C)c1=O ZINC000822600377 606726668 /nfs/dbraw/zinc/72/66/68/606726668.db2.gz MSIKRPAZNBMBIY-VIFPVBQESA-N -1 1 375.414 -0.097 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(c3nc4ccccc4[nH]3)C2)n(C)c1=O ZINC000822600386 607019483 /nfs/dbraw/zinc/01/94/83/607019483.db2.gz MVQRFXWPOBJOIK-UHFFFAOYSA-N -1 1 379.384 -0.256 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCC[C@@H]2N2CCOCC2)n(C)c1=O ZINC000822600393 606876647 /nfs/dbraw/zinc/87/66/47/606876647.db2.gz NCNOBLUEBVFDAX-NEPJUHHUSA-N -1 1 390.448 -0.681 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCC[C@H]2N2CCOCC2)n(C)c1=O ZINC000822600394 606877126 /nfs/dbraw/zinc/87/71/26/606877126.db2.gz NCNOBLUEBVFDAX-NWDGAFQWSA-N -1 1 390.448 -0.681 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCC[C@@H]2N2CCOCC2)n(C)c1=O ZINC000822600395 606876893 /nfs/dbraw/zinc/87/68/93/606876893.db2.gz NCNOBLUEBVFDAX-RYUDHWBXSA-N -1 1 390.448 -0.681 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCC[C@H]2N2CCOCC2)n(C)c1=O ZINC000822600396 606877165 /nfs/dbraw/zinc/87/71/65/606877165.db2.gz NCNOBLUEBVFDAX-VXGBXAGGSA-N -1 1 390.448 -0.681 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2nnc(-c3ccccc3)o2)n(C)c1=O ZINC000822600420 606175046 /nfs/dbraw/zinc/17/50/46/606175046.db2.gz NTSDFCJKNCLXAL-UHFFFAOYSA-N -1 1 395.383 -0.031 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCO[C@]3(CCSC3)C2)n(C)c1=O ZINC000822600692 607176580 /nfs/dbraw/zinc/17/65/80/607176580.db2.gz PUTAPIORMURCPI-BJOHPYRUSA-N -1 1 379.446 -0.269 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCO[C@@]3(CCSC3)C2)n(C)c1=O ZINC000822600693 607176523 /nfs/dbraw/zinc/17/65/23/607176523.db2.gz PUTAPIORMURCPI-PSLIRLAXSA-N -1 1 379.446 -0.269 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCO[C@]3(CCSC3)C2)n(C)c1=O ZINC000822600694 607176538 /nfs/dbraw/zinc/17/65/38/607176538.db2.gz PUTAPIORMURCPI-RFAUZJTJSA-N -1 1 379.446 -0.269 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCO[C@@]3(CCSC3)C2)n(C)c1=O ZINC000822600695 607176551 /nfs/dbraw/zinc/17/65/51/607176551.db2.gz PUTAPIORMURCPI-VFZGTOFNSA-N -1 1 379.446 -0.269 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(N3CCCCC3=O)CC2)n(C)c1=O ZINC000822600712 606878628 /nfs/dbraw/zinc/87/86/28/606878628.db2.gz QGAFTZGUQCYUJS-UHFFFAOYSA-N -1 1 388.432 -0.755 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCOCC3)C2)n(C)c1=O ZINC000822600717 607175837 /nfs/dbraw/zinc/17/58/37/607175837.db2.gz QSYUPNZGXSHUSC-JTQLQIEISA-N -1 1 377.405 -0.596 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCOCC3)C2)n(C)c1=O ZINC000822600718 607175933 /nfs/dbraw/zinc/17/59/33/607175933.db2.gz QSYUPNZGXSHUSC-SNVBAGLBSA-N -1 1 377.405 -0.596 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(OC[C@H]3CCCO3)CC2)n(C)c1=O ZINC000822600725 606231722 /nfs/dbraw/zinc/23/17/22/606231722.db2.gz RCJGVTOSILNKAQ-GFCCVEGCSA-N -1 1 391.432 -0.572 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(OC[C@@H]3CCCO3)CC2)n(C)c1=O ZINC000822600726 606231344 /nfs/dbraw/zinc/23/13/44/606231344.db2.gz RCJGVTOSILNKAQ-LBPRGKRZSA-N -1 1 391.432 -0.572 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCn2c3ccccc3[nH]c2=O)n(C)c1=O ZINC000822600730 606429327 /nfs/dbraw/zinc/42/93/27/606429327.db2.gz RIJHWAGCANRTKJ-UHFFFAOYSA-N -1 1 383.372 -0.569 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](c3ccsc3)C2)n(C)c1=O ZINC000822600991 606949550 /nfs/dbraw/zinc/94/95/50/606949550.db2.gz SCFYZVFCFWPYOH-JTQLQIEISA-N -1 1 375.414 -0.097 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccsc3)C2)n(C)c1=O ZINC000822600992 606949579 /nfs/dbraw/zinc/94/95/79/606949579.db2.gz SCFYZVFCFWPYOH-SNVBAGLBSA-N -1 1 375.414 -0.097 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2nc3cc(F)ccc3[nH]2)n(C)c1=O ZINC000822601122 606439460 /nfs/dbraw/zinc/43/94/60/606439460.db2.gz UFZHJBBXSXCJRK-UHFFFAOYSA-N -1 1 385.363 -0.066 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](c3noc(C4CC4)n3)C2)n(C)c1=O ZINC000822601143 606422667 /nfs/dbraw/zinc/42/26/67/606422667.db2.gz UIUVBWVOVMKOAW-JTQLQIEISA-N -1 1 399.415 -0.092 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3noc(C4CC4)n3)C2)n(C)c1=O ZINC000822601148 606422718 /nfs/dbraw/zinc/42/27/18/606422718.db2.gz UIUVBWVOVMKOAW-SNVBAGLBSA-N -1 1 399.415 -0.092 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([C@@H](O)C(F)(F)F)CC2)n(C)c1=O ZINC000822601191 607033530 /nfs/dbraw/zinc/03/35/30/607033530.db2.gz UXCBTGXUSMWNQS-SECBINFHSA-N -1 1 389.338 -0.596 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC([C@H](O)C(F)(F)F)CC2)n(C)c1=O ZINC000822601192 607033641 /nfs/dbraw/zinc/03/36/41/607033641.db2.gz UXCBTGXUSMWNQS-VIFPVBQESA-N -1 1 389.338 -0.596 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOc2ccc(Cl)cn2)n(C)c1=O ZINC000822601207 606723469 /nfs/dbraw/zinc/72/34/69/606723469.db2.gz VQWUITNNQOEHCF-UHFFFAOYSA-N -1 1 378.780 -0.197 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cnn(CC(F)(F)F)c2)n(C)c1=O ZINC000822601313 606880797 /nfs/dbraw/zinc/88/07/97/606880797.db2.gz XOOWFNPMAJPHHQ-UHFFFAOYSA-N -1 1 385.310 -0.365 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC[C@H]2COc3ccccc3O2)n(C)c1=O ZINC000822601350 607038986 /nfs/dbraw/zinc/03/89/86/607038986.db2.gz XZGLEQQDJFNPKM-JTQLQIEISA-N -1 1 385.384 -0.094 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC[C@@H]2COc3ccccc3O2)n(C)c1=O ZINC000822601357 607039226 /nfs/dbraw/zinc/03/92/26/607039226.db2.gz XZGLEQQDJFNPKM-SNVBAGLBSA-N -1 1 385.384 -0.094 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cn(-c3ccccc3)nn2)n(C)c1=O ZINC000822601393 606725144 /nfs/dbraw/zinc/72/51/44/606725144.db2.gz YPPRFWNCMIHYDK-UHFFFAOYSA-N -1 1 380.372 -0.543 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)COc2cccc3[nH]ccc32)c1=O ZINC000822604812 607151527 /nfs/dbraw/zinc/15/15/27/607151527.db2.gz LNCNEVKDJHQKOH-JTQLQIEISA-N -1 1 383.368 -0.352 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)COc2cccc3[nH]ccc32)c1=O ZINC000822604813 607151557 /nfs/dbraw/zinc/15/15/57/607151557.db2.gz LNCNEVKDJHQKOH-SNVBAGLBSA-N -1 1 383.368 -0.352 20 0 GBADMM Cn1c(Sc2nnc(C(C)(C)C)n2N)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822604967 607028514 /nfs/dbraw/zinc/02/85/14/607028514.db2.gz SANOUGWKUNRNRL-UHFFFAOYSA-N -1 1 378.422 -0.982 20 0 GBADMM Cn1c(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nnc1-c1cnccn1 ZINC000822604985 607037298 /nfs/dbraw/zinc/03/72/98/607037298.db2.gz SYLLUPVEQPUICQ-UHFFFAOYSA-N -1 1 399.400 -0.999 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000822605092 606173067 /nfs/dbraw/zinc/17/30/67/606173067.db2.gz YIQDWKHAFVGKOI-UHFFFAOYSA-N -1 1 389.420 -0.297 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000822605092 606173066 /nfs/dbraw/zinc/17/30/66/606173066.db2.gz YIQDWKHAFVGKOI-UHFFFAOYSA-N -1 1 389.420 -0.297 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000822605113 606165868 /nfs/dbraw/zinc/16/58/68/606165868.db2.gz ZHZQUZFZGISRSP-HNNXBMFYSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000822605113 606165867 /nfs/dbraw/zinc/16/58/67/606165867.db2.gz ZHZQUZFZGISRSP-HNNXBMFYSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000822605114 606165852 /nfs/dbraw/zinc/16/58/52/606165852.db2.gz ZHZQUZFZGISRSP-OAHLLOKOSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000822605114 606165851 /nfs/dbraw/zinc/16/58/51/606165851.db2.gz ZHZQUZFZGISRSP-OAHLLOKOSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1c(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nnc1-c1ccccn1 ZINC000822605126 607037210 /nfs/dbraw/zinc/03/72/10/607037210.db2.gz ZUIMAFJLGXEOMG-UHFFFAOYSA-N -1 1 398.412 -0.394 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000822608198 606596331 /nfs/dbraw/zinc/59/63/31/606596331.db2.gz ALVCSSCFPMZHHE-LLVKDONJSA-N -1 1 389.420 -0.297 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000822608198 606596330 /nfs/dbraw/zinc/59/63/30/606596330.db2.gz ALVCSSCFPMZHHE-LLVKDONJSA-N -1 1 389.420 -0.297 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000822608199 606596051 /nfs/dbraw/zinc/59/60/51/606596051.db2.gz ALVCSSCFPMZHHE-NSHDSACASA-N -1 1 389.420 -0.297 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000822608199 606596049 /nfs/dbraw/zinc/59/60/49/606596049.db2.gz ALVCSSCFPMZHHE-NSHDSACASA-N -1 1 389.420 -0.297 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000822608282 606597550 /nfs/dbraw/zinc/59/75/50/606597550.db2.gz CLNSBAWHDUFHRX-LLVKDONJSA-N -1 1 375.393 -0.545 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000822608282 606597549 /nfs/dbraw/zinc/59/75/49/606597549.db2.gz CLNSBAWHDUFHRX-LLVKDONJSA-N -1 1 375.393 -0.545 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000822608288 606597270 /nfs/dbraw/zinc/59/72/70/606597270.db2.gz CLNSBAWHDUFHRX-NSHDSACASA-N -1 1 375.393 -0.545 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000822608288 606597268 /nfs/dbraw/zinc/59/72/68/606597268.db2.gz CLNSBAWHDUFHRX-NSHDSACASA-N -1 1 375.393 -0.545 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)n1 ZINC000822608300 946136200 /nfs/dbraw/zinc/13/62/00/946136200.db2.gz CQOKMBYMORPPGS-UHFFFAOYSA-N -1 1 384.404 -0.071 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)n1 ZINC000822608300 946136193 /nfs/dbraw/zinc/13/61/93/946136193.db2.gz CQOKMBYMORPPGS-UHFFFAOYSA-N -1 1 384.404 -0.071 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000822608658 606170672 /nfs/dbraw/zinc/17/06/72/606170672.db2.gz GHWITMWVGHJONJ-UHFFFAOYSA-N -1 1 395.391 -0.608 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000822608658 606170671 /nfs/dbraw/zinc/17/06/71/606170671.db2.gz GHWITMWVGHJONJ-UHFFFAOYSA-N -1 1 395.391 -0.608 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 ZINC000822608807 606157621 /nfs/dbraw/zinc/15/76/21/606157621.db2.gz HWEASUUKXDNZDU-UHFFFAOYSA-N -1 1 397.403 -0.552 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 ZINC000822608807 606157619 /nfs/dbraw/zinc/15/76/19/606157619.db2.gz HWEASUUKXDNZDU-UHFFFAOYSA-N -1 1 397.403 -0.552 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3nc(N)ns3)CC2)n1 ZINC000822608826 607101946 /nfs/dbraw/zinc/10/19/46/607101946.db2.gz IARZHQCHEAZSEG-UHFFFAOYSA-N -1 1 376.410 -0.612 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3nc(N)ns3)CC2)n1 ZINC000822608826 607101944 /nfs/dbraw/zinc/10/19/44/607101944.db2.gz IARZHQCHEAZSEG-UHFFFAOYSA-N -1 1 376.410 -0.612 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000822609497 606159877 /nfs/dbraw/zinc/15/98/77/606159877.db2.gz OHOCLCKFBNMZLK-UHFFFAOYSA-N -1 1 382.388 -0.015 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000822609497 606159875 /nfs/dbraw/zinc/15/98/75/606159875.db2.gz OHOCLCKFBNMZLK-UHFFFAOYSA-N -1 1 382.388 -0.015 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)n1 ZINC000822609577 606168764 /nfs/dbraw/zinc/16/87/64/606168764.db2.gz QOQHHAASGYPFER-ANRSDYALSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)n1 ZINC000822609577 606168763 /nfs/dbraw/zinc/16/87/63/606168763.db2.gz QOQHHAASGYPFER-ANRSDYALSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)n1 ZINC000822609578 606168819 /nfs/dbraw/zinc/16/88/19/606168819.db2.gz QOQHHAASGYPFER-AYVTZFPOSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)n1 ZINC000822609578 606168818 /nfs/dbraw/zinc/16/88/18/606168818.db2.gz QOQHHAASGYPFER-AYVTZFPOSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)n1 ZINC000822609579 606168862 /nfs/dbraw/zinc/16/88/62/606168862.db2.gz QOQHHAASGYPFER-GLEZIHRCSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)n1 ZINC000822609579 606168861 /nfs/dbraw/zinc/16/88/61/606168861.db2.gz QOQHHAASGYPFER-GLEZIHRCSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)n1 ZINC000822609580 606168822 /nfs/dbraw/zinc/16/88/22/606168822.db2.gz QOQHHAASGYPFER-VXJOIVPMSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)n1 ZINC000822609580 606168821 /nfs/dbraw/zinc/16/88/21/606168821.db2.gz QOQHHAASGYPFER-VXJOIVPMSA-N -1 1 388.392 -0.558 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000822609640 606170642 /nfs/dbraw/zinc/17/06/42/606170642.db2.gz SRPMHNTZSGDPAX-UHFFFAOYSA-N -1 1 385.392 -0.952 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000822609640 606170641 /nfs/dbraw/zinc/17/06/41/606170641.db2.gz SRPMHNTZSGDPAX-UHFFFAOYSA-N -1 1 385.392 -0.952 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC000822609661 606165910 /nfs/dbraw/zinc/16/59/10/606165910.db2.gz UEBHGKJUPQDDMR-SECBINFHSA-N -1 1 383.438 -0.607 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC000822609661 606165909 /nfs/dbraw/zinc/16/59/09/606165909.db2.gz UEBHGKJUPQDDMR-SECBINFHSA-N -1 1 383.438 -0.607 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000822609662 606165743 /nfs/dbraw/zinc/16/57/43/606165743.db2.gz UEBHGKJUPQDDMR-VIFPVBQESA-N -1 1 383.438 -0.607 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000822609662 606165740 /nfs/dbraw/zinc/16/57/40/606165740.db2.gz UEBHGKJUPQDDMR-VIFPVBQESA-N -1 1 383.438 -0.607 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000822609839 606165940 /nfs/dbraw/zinc/16/59/40/606165940.db2.gz WNPIGWYMGOCYJG-UHFFFAOYSA-N -1 1 388.436 -0.628 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000822609839 606165939 /nfs/dbraw/zinc/16/59/39/606165939.db2.gz WNPIGWYMGOCYJG-UHFFFAOYSA-N -1 1 388.436 -0.628 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)n1 ZINC000822610004 606164345 /nfs/dbraw/zinc/16/43/45/606164345.db2.gz YTKVCCOJQHYEJQ-UHFFFAOYSA-N -1 1 397.403 -0.552 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)n1 ZINC000822610004 606164343 /nfs/dbraw/zinc/16/43/43/606164343.db2.gz YTKVCCOJQHYEJQ-UHFFFAOYSA-N -1 1 397.403 -0.552 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNS(=O)(=O)c2cccnc2)n1 ZINC000822613132 607507611 /nfs/dbraw/zinc/50/76/11/607507611.db2.gz BBAJNQIAZQPHEH-UHFFFAOYSA-N -1 1 392.405 -0.905 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNS(=O)(=O)c2cccnc2)n1 ZINC000822613132 607507609 /nfs/dbraw/zinc/50/76/09/607507609.db2.gz BBAJNQIAZQPHEH-UHFFFAOYSA-N -1 1 392.405 -0.905 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n1 ZINC000822613282 606837119 /nfs/dbraw/zinc/83/71/19/606837119.db2.gz CRDUFHJPDYYGPW-PSASIEDQSA-N -1 1 383.438 -0.560 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n1 ZINC000822613282 606837117 /nfs/dbraw/zinc/83/71/17/606837117.db2.gz CRDUFHJPDYYGPW-PSASIEDQSA-N -1 1 383.438 -0.560 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1 ZINC000822613285 606836888 /nfs/dbraw/zinc/83/68/88/606836888.db2.gz CRDUFHJPDYYGPW-SCZZXKLOSA-N -1 1 383.438 -0.560 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1 ZINC000822613285 606836886 /nfs/dbraw/zinc/83/68/86/606836886.db2.gz CRDUFHJPDYYGPW-SCZZXKLOSA-N -1 1 383.438 -0.560 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1 ZINC000822613286 606836989 /nfs/dbraw/zinc/83/69/89/606836989.db2.gz CRDUFHJPDYYGPW-WCBMZHEXSA-N -1 1 383.438 -0.560 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1 ZINC000822613286 606836987 /nfs/dbraw/zinc/83/69/87/606836987.db2.gz CRDUFHJPDYYGPW-WCBMZHEXSA-N -1 1 383.438 -0.560 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n1 ZINC000822613287 606837097 /nfs/dbraw/zinc/83/70/97/606837097.db2.gz CRDUFHJPDYYGPW-WPRPVWTQSA-N -1 1 383.438 -0.560 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n1 ZINC000822613287 606837095 /nfs/dbraw/zinc/83/70/95/606837095.db2.gz CRDUFHJPDYYGPW-WPRPVWTQSA-N -1 1 383.438 -0.560 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)n1 ZINC000822614034 606172525 /nfs/dbraw/zinc/17/25/25/606172525.db2.gz IQJUGFNLWDMPIU-UHFFFAOYSA-N -1 1 383.438 -0.607 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)n1 ZINC000822614034 606172524 /nfs/dbraw/zinc/17/25/24/606172524.db2.gz IQJUGFNLWDMPIU-UHFFFAOYSA-N -1 1 383.438 -0.607 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000822614257 606156231 /nfs/dbraw/zinc/15/62/31/606156231.db2.gz KPZVSKDFYUAPPR-UHFFFAOYSA-N -1 1 397.465 -0.769 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000822614396 946139682 /nfs/dbraw/zinc/13/96/82/946139682.db2.gz MROQOUDYOXCJQV-UHFFFAOYSA-N -1 1 395.449 -0.322 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000822614396 946139678 /nfs/dbraw/zinc/13/96/78/946139678.db2.gz MROQOUDYOXCJQV-UHFFFAOYSA-N -1 1 395.449 -0.322 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 ZINC000822614622 606157584 /nfs/dbraw/zinc/15/75/84/606157584.db2.gz OXQFYJKFMFZPNE-HNNXBMFYSA-N -1 1 393.477 -0.070 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 ZINC000822614631 606157707 /nfs/dbraw/zinc/15/77/07/606157707.db2.gz OXQFYJKFMFZPNE-OAHLLOKOSA-N -1 1 393.477 -0.070 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000822614789 606172480 /nfs/dbraw/zinc/17/24/80/606172480.db2.gz SGUADCRLCYEEJX-UHFFFAOYSA-N -1 1 387.408 -0.494 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000822614789 606172479 /nfs/dbraw/zinc/17/24/79/606172479.db2.gz SGUADCRLCYEEJX-UHFFFAOYSA-N -1 1 387.408 -0.494 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000822614916 606173515 /nfs/dbraw/zinc/17/35/15/606173515.db2.gz XHHVUPHBHZIWAE-LLVKDONJSA-N -1 1 375.393 -0.498 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000822614916 606173514 /nfs/dbraw/zinc/17/35/14/606173514.db2.gz XHHVUPHBHZIWAE-LLVKDONJSA-N -1 1 375.393 -0.498 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000822614917 606173448 /nfs/dbraw/zinc/17/34/48/606173448.db2.gz XHHVUPHBHZIWAE-NSHDSACASA-N -1 1 375.393 -0.498 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000822614917 606173446 /nfs/dbraw/zinc/17/34/46/606173446.db2.gz XHHVUPHBHZIWAE-NSHDSACASA-N -1 1 375.393 -0.498 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(O)CCC3(CC2)OCCO3)n1 ZINC000822614962 606772721 /nfs/dbraw/zinc/77/27/21/606772721.db2.gz YDDAEWCBTILQNR-UHFFFAOYSA-N -1 1 378.393 -0.230 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(O)CCC3(CC2)OCCO3)n1 ZINC000822614962 606772719 /nfs/dbraw/zinc/77/27/19/606772719.db2.gz YDDAEWCBTILQNR-UHFFFAOYSA-N -1 1 378.393 -0.230 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNS(=O)(=O)c2ccccc2)n1 ZINC000822614975 606163407 /nfs/dbraw/zinc/16/34/07/606163407.db2.gz YMNDQDKVSLLFQY-UHFFFAOYSA-N -1 1 391.417 -0.300 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNS(=O)(=O)c2ccccc2)n1 ZINC000822614975 606163405 /nfs/dbraw/zinc/16/34/05/606163405.db2.gz YMNDQDKVSLLFQY-UHFFFAOYSA-N -1 1 391.417 -0.300 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2cnn(CCN3CCOCC3)c2)n1 ZINC000822619800 946140979 /nfs/dbraw/zinc/14/09/79/946140979.db2.gz GBHCKJSQXCNXAM-UHFFFAOYSA-N -1 1 387.408 -0.227 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)n1 ZINC000822619806 606166153 /nfs/dbraw/zinc/16/61/53/606166153.db2.gz GGOQSWGEVILZRR-UHFFFAOYSA-N -1 1 398.387 -0.863 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)n1 ZINC000822619806 606166151 /nfs/dbraw/zinc/16/61/51/606166151.db2.gz GGOQSWGEVILZRR-UHFFFAOYSA-N -1 1 398.387 -0.863 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCS(=O)(=O)NCC2CCC2)n1 ZINC000822619811 606161803 /nfs/dbraw/zinc/16/18/03/606161803.db2.gz GJYQKMSPEMGWDU-UHFFFAOYSA-N -1 1 383.438 -0.559 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCS(=O)(=O)NCC2CCC2)n1 ZINC000822619811 606161801 /nfs/dbraw/zinc/16/18/01/606161801.db2.gz GJYQKMSPEMGWDU-UHFFFAOYSA-N -1 1 383.438 -0.559 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)n1 ZINC000822619831 606170425 /nfs/dbraw/zinc/17/04/25/606170425.db2.gz HMMORPOJBQBZGU-UHFFFAOYSA-N -1 1 395.380 -0.292 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)n1 ZINC000822619831 606170423 /nfs/dbraw/zinc/17/04/23/606170423.db2.gz HMMORPOJBQBZGU-UHFFFAOYSA-N -1 1 395.380 -0.292 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)n1 ZINC000822620212 606171729 /nfs/dbraw/zinc/17/17/29/606171729.db2.gz MAXGENVCXSGCGS-UHFFFAOYSA-N -1 1 391.417 -0.290 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)n1 ZINC000822620212 606171727 /nfs/dbraw/zinc/17/17/27/606171727.db2.gz MAXGENVCXSGCGS-UHFFFAOYSA-N -1 1 391.417 -0.290 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(S(N)(=O)=O)c2)n1 ZINC000822620450 606167392 /nfs/dbraw/zinc/16/73/92/606167392.db2.gz RBYJMGOXXKVIEA-UHFFFAOYSA-N -1 1 377.390 -0.431 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(S(N)(=O)=O)c2)n1 ZINC000822620450 606167390 /nfs/dbraw/zinc/16/73/90/606167390.db2.gz RBYJMGOXXKVIEA-UHFFFAOYSA-N -1 1 377.390 -0.431 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000822620497 606159359 /nfs/dbraw/zinc/15/93/59/606159359.db2.gz UBAINBBXZCOCJX-UHFFFAOYSA-N -1 1 377.390 -0.431 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000822620497 606159357 /nfs/dbraw/zinc/15/93/57/606159357.db2.gz UBAINBBXZCOCJX-UHFFFAOYSA-N -1 1 377.390 -0.431 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000822620584 606597954 /nfs/dbraw/zinc/59/79/54/606597954.db2.gz XRBAWXHEZFPYNT-UHFFFAOYSA-N -1 1 391.417 -0.388 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000822620584 606597953 /nfs/dbraw/zinc/59/79/53/606597953.db2.gz XRBAWXHEZFPYNT-UHFFFAOYSA-N -1 1 391.417 -0.388 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(S(N)(=O)=O)s2)n1 ZINC000822620637 606166497 /nfs/dbraw/zinc/16/64/97/606166497.db2.gz ZZVJZLOJMAJKCB-UHFFFAOYSA-N -1 1 383.419 -0.369 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(S(N)(=O)=O)s2)n1 ZINC000822620637 606166496 /nfs/dbraw/zinc/16/64/96/606166496.db2.gz ZZVJZLOJMAJKCB-UHFFFAOYSA-N -1 1 383.419 -0.369 20 0 GBADMM Cn1cc(Br)cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1=O ZINC000822665491 607222144 /nfs/dbraw/zinc/22/21/44/607222144.db2.gz QWWRSTFBBFHURE-UHFFFAOYSA-N -1 1 380.166 -0.442 20 0 GBADMM Cn1cc([C@]2(C)CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCO2)cn1 ZINC000822674330 606739357 /nfs/dbraw/zinc/73/93/57/606739357.db2.gz QQVODNYOHWRLLR-HNNXBMFYSA-N -1 1 390.429 -0.069 20 0 GBADMM Cn1cc([C@]2(C)CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCO2)cn1 ZINC000822674330 606739356 /nfs/dbraw/zinc/73/93/56/606739356.db2.gz QQVODNYOHWRLLR-HNNXBMFYSA-N -1 1 390.429 -0.069 20 0 GBADMM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCO2)cn1 ZINC000822674331 606739540 /nfs/dbraw/zinc/73/95/40/606739540.db2.gz QQVODNYOHWRLLR-OAHLLOKOSA-N -1 1 390.429 -0.069 20 0 GBADMM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCO2)cn1 ZINC000822674331 606739539 /nfs/dbraw/zinc/73/95/39/606739539.db2.gz QQVODNYOHWRLLR-OAHLLOKOSA-N -1 1 390.429 -0.069 20 0 GBADMM Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCO2)cn1 ZINC000822674647 606239551 /nfs/dbraw/zinc/23/95/51/606239551.db2.gz YRRPZALBKKCTBA-CYBMUJFWSA-N -1 1 376.402 -0.243 20 0 GBADMM Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCO2)cn1 ZINC000822674647 606239549 /nfs/dbraw/zinc/23/95/49/606239549.db2.gz YRRPZALBKKCTBA-CYBMUJFWSA-N -1 1 376.402 -0.243 20 0 GBADMM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCO2)cn1 ZINC000822674648 606239709 /nfs/dbraw/zinc/23/97/09/606239709.db2.gz YRRPZALBKKCTBA-ZDUSSCGKSA-N -1 1 376.402 -0.243 20 0 GBADMM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCO2)cn1 ZINC000822674648 606239708 /nfs/dbraw/zinc/23/97/08/606239708.db2.gz YRRPZALBKKCTBA-ZDUSSCGKSA-N -1 1 376.402 -0.243 20 0 GBADMM Cn1cc(N2CCC[C@H](Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)cn1 ZINC000822680922 599037366 /nfs/dbraw/zinc/03/73/66/599037366.db2.gz RCWUYVGTZLXWAO-JTQLQIEISA-N -1 1 386.420 -0.922 20 0 GBADMM Cn1cc(N2CCC[C@@H](Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)cn1 ZINC000822680924 599036556 /nfs/dbraw/zinc/03/65/56/599036556.db2.gz RCWUYVGTZLXWAO-SNVBAGLBSA-N -1 1 386.420 -0.922 20 0 GBADMM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC000822681024 599352675 /nfs/dbraw/zinc/35/26/75/599352675.db2.gz STWGHWRJRXLHBB-LLVKDONJSA-N -1 1 389.445 -0.058 20 0 GBADMM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC000822681024 599352674 /nfs/dbraw/zinc/35/26/74/599352674.db2.gz STWGHWRJRXLHBB-LLVKDONJSA-N -1 1 389.445 -0.058 20 0 GBADMM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC000822681029 599352693 /nfs/dbraw/zinc/35/26/93/599352693.db2.gz STWGHWRJRXLHBB-NSHDSACASA-N -1 1 389.445 -0.058 20 0 GBADMM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC000822681029 599352692 /nfs/dbraw/zinc/35/26/92/599352692.db2.gz STWGHWRJRXLHBB-NSHDSACASA-N -1 1 389.445 -0.058 20 0 GBADMM Cn1cc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000822681298 606173530 /nfs/dbraw/zinc/17/35/30/606173530.db2.gz WOJKNZQBQSSTPN-LLVKDONJSA-N -1 1 385.392 -0.349 20 0 GBADMM Cn1cc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000822681298 606173529 /nfs/dbraw/zinc/17/35/29/606173529.db2.gz WOJKNZQBQSSTPN-LLVKDONJSA-N -1 1 385.392 -0.349 20 0 GBADMM Cn1cc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000822681312 606173327 /nfs/dbraw/zinc/17/33/27/606173327.db2.gz WOJKNZQBQSSTPN-NSHDSACASA-N -1 1 385.392 -0.349 20 0 GBADMM Cn1cc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000822681312 606173325 /nfs/dbraw/zinc/17/33/25/606173325.db2.gz WOJKNZQBQSSTPN-NSHDSACASA-N -1 1 385.392 -0.349 20 0 GBADMM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822684570 606140691 /nfs/dbraw/zinc/14/06/91/606140691.db2.gz BRXOTURFONWLGD-UHFFFAOYSA-N -1 1 383.415 -0.203 20 0 GBADMM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822684570 606140689 /nfs/dbraw/zinc/14/06/89/606140689.db2.gz BRXOTURFONWLGD-UHFFFAOYSA-N -1 1 383.415 -0.203 20 0 GBADMM Cn1cc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2=O)cn1 ZINC000822684631 606123383 /nfs/dbraw/zinc/12/33/83/606123383.db2.gz FMWYQWJANJZKFZ-UHFFFAOYSA-N -1 1 389.401 -0.967 20 0 GBADMM Cn1cc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2=O)cn1 ZINC000822684631 606123382 /nfs/dbraw/zinc/12/33/82/606123382.db2.gz FMWYQWJANJZKFZ-UHFFFAOYSA-N -1 1 389.401 -0.967 20 0 GBADMM Cn1cc(S(=O)(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000822684821 606293132 /nfs/dbraw/zinc/29/31/32/606293132.db2.gz KKLBOGHJMHKJTL-UHFFFAOYSA-N -1 1 378.374 -0.777 20 0 GBADMM Cn1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc(Br)c1=O ZINC000822685274 607223187 /nfs/dbraw/zinc/22/31/87/607223187.db2.gz WJPJYDSGOZRWNF-UHFFFAOYSA-N -1 1 380.166 -0.442 20 0 GBADMM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000822685320 946155328 /nfs/dbraw/zinc/15/53/28/946155328.db2.gz XFUMFMZLUMPKMU-UHFFFAOYSA-N -1 1 378.374 -0.870 20 0 GBADMM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000822685320 946155323 /nfs/dbraw/zinc/15/53/23/946155323.db2.gz XFUMFMZLUMPKMU-UHFFFAOYSA-N -1 1 378.374 -0.870 20 0 GBADMM Cn1cc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000822685433 946157558 /nfs/dbraw/zinc/15/75/58/946157558.db2.gz ZTFXXHIMCFPBFG-UHFFFAOYSA-N -1 1 375.418 -0.494 20 0 GBADMM Cn1cc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000822685433 946157550 /nfs/dbraw/zinc/15/75/50/946157550.db2.gz ZTFXXHIMCFPBFG-UHFFFAOYSA-N -1 1 375.418 -0.494 20 0 GBADMM Cn1ccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)n1 ZINC000822689583 606169388 /nfs/dbraw/zinc/16/93/88/606169388.db2.gz NHGMHBHBRIUIRH-JTQLQIEISA-N -1 1 385.392 -0.349 20 0 GBADMM Cn1ccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)n1 ZINC000822689583 606169387 /nfs/dbraw/zinc/16/93/87/606169387.db2.gz NHGMHBHBRIUIRH-JTQLQIEISA-N -1 1 385.392 -0.349 20 0 GBADMM Cn1ccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)n1 ZINC000822689584 606169435 /nfs/dbraw/zinc/16/94/35/606169435.db2.gz NHGMHBHBRIUIRH-SNVBAGLBSA-N -1 1 385.392 -0.349 20 0 GBADMM Cn1ccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)n1 ZINC000822689584 606169434 /nfs/dbraw/zinc/16/94/34/606169434.db2.gz NHGMHBHBRIUIRH-SNVBAGLBSA-N -1 1 385.392 -0.349 20 0 GBADMM Cn1nc2c(cc1=O)CN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000822709347 599683371 /nfs/dbraw/zinc/68/33/71/599683371.db2.gz JVYRSPDGUJNUAP-UHFFFAOYSA-N -1 1 391.388 -0.154 20 0 GBADMM NC(=O)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Cc1ccccc1Cl ZINC000822850277 607215309 /nfs/dbraw/zinc/21/53/09/607215309.db2.gz DCYSYVIKUSFNEN-JTQLQIEISA-N -1 1 389.807 -0.428 20 0 GBADMM NC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Cc1ccccc1Cl ZINC000822850278 607215210 /nfs/dbraw/zinc/21/52/10/607215210.db2.gz DCYSYVIKUSFNEN-SNVBAGLBSA-N -1 1 389.807 -0.428 20 0 GBADMM NC(=O)CS(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822868500 607108076 /nfs/dbraw/zinc/10/80/76/607108076.db2.gz AMKJJVPLKMFMJI-UHFFFAOYSA-N -1 1 393.410 -0.166 20 0 GBADMM NC(=O)CS(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822868500 607108073 /nfs/dbraw/zinc/10/80/73/607108073.db2.gz AMKJJVPLKMFMJI-UHFFFAOYSA-N -1 1 393.410 -0.166 20 0 GBADMM NC(=O)COc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822869083 599367695 /nfs/dbraw/zinc/36/76/95/599367695.db2.gz OHPUMPIVLZVOCF-UHFFFAOYSA-N -1 1 389.397 -0.396 20 0 GBADMM NC(=O)COc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822869083 599367692 /nfs/dbraw/zinc/36/76/92/599367692.db2.gz OHPUMPIVLZVOCF-UHFFFAOYSA-N -1 1 389.397 -0.396 20 0 GBADMM NC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC000822873805 607221768 /nfs/dbraw/zinc/22/17/68/607221768.db2.gz KPBKGCVDMBVULY-SNVBAGLBSA-N -1 1 375.780 -0.156 20 0 GBADMM NC(=O)c1cc(-c2csc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)c[nH]1 ZINC000822880355 607213870 /nfs/dbraw/zinc/21/38/70/607213870.db2.gz NUJIUBIGBSQNDV-UHFFFAOYSA-N -1 1 385.373 -0.353 20 0 GBADMM NC(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822885173 607206052 /nfs/dbraw/zinc/20/60/52/607206052.db2.gz JNIGRNMOYOOOOG-UHFFFAOYSA-N -1 1 382.388 -0.204 20 0 GBADMM NC(=O)c1ccn(-c2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000822889889 607216748 /nfs/dbraw/zinc/21/67/48/607216748.db2.gz HFMKQAQQMJCPAO-UHFFFAOYSA-N -1 1 379.344 -0.619 20 0 GBADMM NC(=O)c1ccn(-c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822890585 607212664 /nfs/dbraw/zinc/21/26/64/607212664.db2.gz YETYIHJJFDIMCG-UHFFFAOYSA-N -1 1 379.344 -0.619 20 0 GBADMM NS(=O)(=O)CCN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000822895823 599088965 /nfs/dbraw/zinc/08/89/65/599088965.db2.gz YKUYHFSFRVBEPV-UHFFFAOYSA-N -1 1 389.445 -0.780 20 0 GBADMM NS(=O)(=O)CCN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000822895823 599088962 /nfs/dbraw/zinc/08/89/62/599088962.db2.gz YKUYHFSFRVBEPV-UHFFFAOYSA-N -1 1 389.445 -0.780 20 0 GBADMM NS(=O)(=O)c1cnn(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000822899399 606295823 /nfs/dbraw/zinc/29/58/23/606295823.db2.gz ITWLVNQBMVCFJV-UHFFFAOYSA-N -1 1 378.374 -0.555 20 0 GBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000822902669 607146955 /nfs/dbraw/zinc/14/69/55/607146955.db2.gz DJWODCGWHJVYTI-UHFFFAOYSA-N -1 1 397.403 -0.795 20 0 GBADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000822903786 946212958 /nfs/dbraw/zinc/21/29/58/946212958.db2.gz OMRYNTCZUBOWHC-UHFFFAOYSA-N -1 1 384.404 -0.021 20 0 GBADMM Nc1cc(CCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)nn1-c1ccccc1 ZINC000822907427 607207660 /nfs/dbraw/zinc/20/76/60/607207660.db2.gz MEXPCUKXDXEPRN-UHFFFAOYSA-N -1 1 393.415 -0.025 20 0 GBADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(-c3ncccn3)c2)c1-c1nn[n-]n1 ZINC000822907646 599693992 /nfs/dbraw/zinc/69/39/92/599693992.db2.gz WZYCYCDIZWCSIM-UHFFFAOYSA-N -1 1 395.391 -0.098 20 0 GBADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(-c3ncccn3)c2)c1-c1nnn[n-]1 ZINC000822907646 599693991 /nfs/dbraw/zinc/69/39/91/599693991.db2.gz WZYCYCDIZWCSIM-UHFFFAOYSA-N -1 1 395.391 -0.098 20 0 GBADMM Nc1nsc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000822911975 607230152 /nfs/dbraw/zinc/23/01/52/607230152.db2.gz HEWZHZGHMYDMBF-UHFFFAOYSA-N -1 1 394.446 -0.794 20 0 GBADMM Nc1nsc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000822911975 607230151 /nfs/dbraw/zinc/23/01/51/607230151.db2.gz HEWZHZGHMYDMBF-UHFFFAOYSA-N -1 1 394.446 -0.794 20 0 GBADMM Nc1nonc1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822912181 599658892 /nfs/dbraw/zinc/65/88/92/599658892.db2.gz QAOOAZYJEQIBNN-UHFFFAOYSA-N -1 1 396.327 -0.187 20 0 GBADMM Nc1nonc1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822912181 599658891 /nfs/dbraw/zinc/65/88/91/599658891.db2.gz QAOOAZYJEQIBNN-UHFFFAOYSA-N -1 1 396.327 -0.187 20 0 GBADMM O=C(C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)N1CCCC1 ZINC000822912393 606528015 /nfs/dbraw/zinc/52/80/15/606528015.db2.gz YJZUKPYGWGRUAA-UHFFFAOYSA-N -1 1 389.441 -0.165 20 0 GBADMM O=C(C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)N1CCCC1 ZINC000822912393 606528014 /nfs/dbraw/zinc/52/80/14/606528014.db2.gz YJZUKPYGWGRUAA-UHFFFAOYSA-N -1 1 389.441 -0.165 20 0 GBADMM O=C(C[C@@H]1COCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000822945668 607223220 /nfs/dbraw/zinc/22/32/20/607223220.db2.gz NKAJYJWJWSFZQT-CYBMUJFWSA-N -1 1 382.384 -0.041 20 0 GBADMM O=C(C[C@H]1COCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000822945669 607223214 /nfs/dbraw/zinc/22/32/14/607223214.db2.gz NKAJYJWJWSFZQT-ZDUSSCGKSA-N -1 1 382.384 -0.041 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000822986816 607239578 /nfs/dbraw/zinc/23/95/78/607239578.db2.gz MCYRPAXNMWAQSP-GFCCVEGCSA-N -1 1 389.420 -0.912 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000822986843 607239338 /nfs/dbraw/zinc/23/93/38/607239338.db2.gz MCYRPAXNMWAQSP-LBPRGKRZSA-N -1 1 389.420 -0.912 20 0 GBADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)N1CCOCC1 ZINC000822996345 606520262 /nfs/dbraw/zinc/52/02/62/606520262.db2.gz CUPYDJYMDPGQIK-UHFFFAOYSA-N -1 1 391.457 -0.455 20 0 GBADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)N1CCOCC1 ZINC000822996345 606520260 /nfs/dbraw/zinc/52/02/60/606520260.db2.gz CUPYDJYMDPGQIK-UHFFFAOYSA-N -1 1 391.457 -0.455 20 0 GBADMM O=C(CN1C[C@H](O)C[C@H](O)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823001279 606508227 /nfs/dbraw/zinc/50/82/27/606508227.db2.gz KAKSDTYFJWRYPP-BETUJISGSA-N -1 1 384.400 -0.582 20 0 GBADMM O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823002150 606521601 /nfs/dbraw/zinc/52/16/01/606521601.db2.gz UFUORXSFMQAEMK-UHFFFAOYSA-N -1 1 391.457 -0.455 20 0 GBADMM O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823002150 606521599 /nfs/dbraw/zinc/52/15/99/606521599.db2.gz UFUORXSFMQAEMK-UHFFFAOYSA-N -1 1 391.457 -0.455 20 0 GBADMM O=C(CN1CCO[C@@H](CO)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823002297 606117755 /nfs/dbraw/zinc/11/77/55/606117755.db2.gz WLGTYZOVVDRVBU-CYBMUJFWSA-N -1 1 384.400 -0.316 20 0 GBADMM O=C(CN1CCO[C@@H](CO)C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823002297 606117753 /nfs/dbraw/zinc/11/77/53/606117753.db2.gz WLGTYZOVVDRVBU-CYBMUJFWSA-N -1 1 384.400 -0.316 20 0 GBADMM O=C(CN1CCO[C@H](CO)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823002299 606117705 /nfs/dbraw/zinc/11/77/05/606117705.db2.gz WLGTYZOVVDRVBU-ZDUSSCGKSA-N -1 1 384.400 -0.316 20 0 GBADMM O=C(CN1CCO[C@H](CO)C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823002299 606117703 /nfs/dbraw/zinc/11/77/03/606117703.db2.gz WLGTYZOVVDRVBU-ZDUSSCGKSA-N -1 1 384.400 -0.316 20 0 GBADMM O=C(Cc1ccccc1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000823115566 607208398 /nfs/dbraw/zinc/20/83/98/607208398.db2.gz QLGLXKNJQRHRMA-UHFFFAOYSA-N -1 1 381.400 -0.628 20 0 GBADMM O=C(Cc1ccccc1F)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000823115617 607211563 /nfs/dbraw/zinc/21/15/63/607211563.db2.gz SNSMFRQFZYADOF-UHFFFAOYSA-N -1 1 399.390 -0.489 20 0 GBADMM O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823118564 607110245 /nfs/dbraw/zinc/11/02/45/607110245.db2.gz FYTWOFQDDYBRGC-UHFFFAOYSA-N -1 1 399.190 -0.013 20 0 GBADMM O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823118564 607110243 /nfs/dbraw/zinc/11/02/43/607110243.db2.gz FYTWOFQDDYBRGC-UHFFFAOYSA-N -1 1 399.190 -0.013 20 0 GBADMM O=C(Cn1cc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1)NCCO ZINC000823118642 599089011 /nfs/dbraw/zinc/08/90/11/599089011.db2.gz JVFWGKNAXPWFDC-UHFFFAOYSA-N -1 1 380.372 -0.142 20 0 GBADMM O=C(Cn1cc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1)NCCO ZINC000823118642 599089008 /nfs/dbraw/zinc/08/90/08/599089008.db2.gz JVFWGKNAXPWFDC-UHFFFAOYSA-N -1 1 380.372 -0.142 20 0 GBADMM O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823118755 606532728 /nfs/dbraw/zinc/53/27/28/606532728.db2.gz PHJMZDZLAROVPN-UHFFFAOYSA-N -1 1 382.138 -0.747 20 0 GBADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCCOc1ccc2c(c1)OCO2 ZINC000823122830 606825791 /nfs/dbraw/zinc/82/57/91/606825791.db2.gz JMIMEEUMQDNHSW-UHFFFAOYSA-N -1 1 384.352 -0.048 20 0 GBADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1cc(-n2cnnn2)ccc1F ZINC000823123027 607158816 /nfs/dbraw/zinc/15/88/16/607158816.db2.gz LEDYYZMVLBHIAH-UHFFFAOYSA-N -1 1 382.319 -0.218 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823125644 607224231 /nfs/dbraw/zinc/22/42/31/607224231.db2.gz ANTBSUCDLFEROS-KBPBESRZSA-N -1 1 384.400 -0.191 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000823125657 607224495 /nfs/dbraw/zinc/22/44/95/607224495.db2.gz ANTBSUCDLFEROS-KGLIPLIRSA-N -1 1 384.400 -0.191 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823125662 607224296 /nfs/dbraw/zinc/22/42/96/607224296.db2.gz ANTBSUCDLFEROS-UONOGXRCSA-N -1 1 384.400 -0.191 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823125667 607224520 /nfs/dbraw/zinc/22/45/20/607224520.db2.gz ANTBSUCDLFEROS-ZIAGYGMSSA-N -1 1 384.400 -0.191 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000823125668 607223208 /nfs/dbraw/zinc/22/32/08/607223208.db2.gz AQKAIENNHREBEU-JTQLQIEISA-N -1 1 389.326 -0.342 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000823125673 607223078 /nfs/dbraw/zinc/22/30/78/607223078.db2.gz AQKAIENNHREBEU-SNVBAGLBSA-N -1 1 389.326 -0.342 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC(=O)OCc1ccccc1Cl ZINC000823125694 607216950 /nfs/dbraw/zinc/21/69/50/607216950.db2.gz BEQXXQZWEMDCAV-UHFFFAOYSA-N -1 1 376.764 -0.029 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000823125725 607210517 /nfs/dbraw/zinc/21/05/17/607210517.db2.gz CBDYJGGYMVPSFJ-CYBMUJFWSA-N -1 1 381.400 -0.062 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000823125726 607210477 /nfs/dbraw/zinc/21/04/77/607210477.db2.gz CBDYJGGYMVPSFJ-ZDUSSCGKSA-N -1 1 381.400 -0.062 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000823125734 607221238 /nfs/dbraw/zinc/22/12/38/607221238.db2.gz CKMJUYCJXIQUEF-UHFFFAOYSA-N -1 1 377.372 -0.241 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000823125747 607224274 /nfs/dbraw/zinc/22/42/74/607224274.db2.gz CTOVVZXSCVWPTF-MRVPVSSYSA-N -1 1 380.315 -0.708 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000823125748 607224386 /nfs/dbraw/zinc/22/43/86/607224386.db2.gz CTOVVZXSCVWPTF-QMMMGPOBSA-N -1 1 380.315 -0.708 20 0 GBADMM O=C(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-n2cccn2)cc1 ZINC000823125973 607212815 /nfs/dbraw/zinc/21/28/15/607212815.db2.gz DKYLJBPBCAUTRQ-UHFFFAOYSA-N -1 1 393.371 -0.601 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2ncnc3sccc32)CC1 ZINC000823126001 607206555 /nfs/dbraw/zinc/20/65/55/607206555.db2.gz FAGXLKVEAGZHDG-UHFFFAOYSA-N -1 1 397.428 -0.188 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000823126035 607206203 /nfs/dbraw/zinc/20/62/03/607206203.db2.gz FZILROWMMDSNBA-LLVKDONJSA-N -1 1 389.445 -0.291 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000823126036 607205978 /nfs/dbraw/zinc/20/59/78/607205978.db2.gz FZILROWMMDSNBA-NSHDSACASA-N -1 1 389.445 -0.291 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000823126039 607214417 /nfs/dbraw/zinc/21/44/17/607214417.db2.gz GAXCLHKIFSXGQT-CYBMUJFWSA-N -1 1 393.371 -0.323 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000823126040 607214498 /nfs/dbraw/zinc/21/44/98/607214498.db2.gz GAXCLHKIFSXGQT-ZDUSSCGKSA-N -1 1 393.371 -0.323 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000823126057 607206824 /nfs/dbraw/zinc/20/68/24/607206824.db2.gz GRKGPDMCKHWKSV-UHFFFAOYSA-N -1 1 381.400 -0.167 20 0 GBADMM O=C(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2cccnc21 ZINC000823126304 607212620 /nfs/dbraw/zinc/21/26/20/607212620.db2.gz HQXYDLNDSWAHKP-UHFFFAOYSA-N -1 1 378.356 -0.239 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000823126345 607219041 /nfs/dbraw/zinc/21/90/41/607219041.db2.gz IRNLSLWBRJRPBR-GFCCVEGCSA-N -1 1 397.399 -0.746 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000823126346 607219147 /nfs/dbraw/zinc/21/91/47/607219147.db2.gz IRNLSLWBRJRPBR-LBPRGKRZSA-N -1 1 397.399 -0.746 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000823126352 607222460 /nfs/dbraw/zinc/22/24/60/607222460.db2.gz IWTPIUCCXBMGED-UHFFFAOYSA-N -1 1 380.434 -0.582 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000823126601 607224168 /nfs/dbraw/zinc/22/41/68/607224168.db2.gz JXCOVGRQYZFXSW-UHFFFAOYSA-N -1 1 383.372 -0.852 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000823126602 607223960 /nfs/dbraw/zinc/22/39/60/607223960.db2.gz JXMKTXVMUVWRMV-UHFFFAOYSA-N -1 1 383.372 -0.852 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000823126606 607222652 /nfs/dbraw/zinc/22/26/52/607222652.db2.gz KDGNCZFLQHOEKQ-UHFFFAOYSA-N -1 1 383.372 -0.852 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000823126700 607223155 /nfs/dbraw/zinc/22/31/55/607223155.db2.gz LYAXUUKWNDOASM-AWEZNQCLSA-N -1 1 395.427 -0.192 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000823126702 607223309 /nfs/dbraw/zinc/22/33/09/607223309.db2.gz LYAXUUKWNDOASM-CQSZACIVSA-N -1 1 395.427 -0.192 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000823126724 607222039 /nfs/dbraw/zinc/22/20/39/607222039.db2.gz MAYOBBHBDRMNIK-AWEZNQCLSA-N -1 1 395.427 -0.192 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000823126725 607221765 /nfs/dbraw/zinc/22/17/65/607221765.db2.gz MAYOBBHBDRMNIK-CQSZACIVSA-N -1 1 395.427 -0.192 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000823126943 607218552 /nfs/dbraw/zinc/21/85/52/607218552.db2.gz OJYYPWSRFXARID-UHFFFAOYSA-N -1 1 380.372 -0.052 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000823126945 607206744 /nfs/dbraw/zinc/20/67/44/607206744.db2.gz OLNFFWVXXACCHI-UHFFFAOYSA-N -1 1 399.390 -0.028 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000823126995 607219778 /nfs/dbraw/zinc/21/97/78/607219778.db2.gz QBSWHUPJHKYHKZ-UHFFFAOYSA-N -1 1 385.363 -0.532 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCC(=O)N1Cc2ccccc2C1 ZINC000823127007 607216368 /nfs/dbraw/zinc/21/63/68/607216368.db2.gz QPDOXTKTSAZRTK-UHFFFAOYSA-N -1 1 381.400 -0.103 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000823127010 607217785 /nfs/dbraw/zinc/21/77/85/607217785.db2.gz QQSHALINRXRLGU-UHFFFAOYSA-N -1 1 388.823 -0.149 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000823127011 607206009 /nfs/dbraw/zinc/20/60/09/607206009.db2.gz QRQXKRJTWJOCFC-UHFFFAOYSA-N -1 1 393.415 -0.550 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000823127015 607215809 /nfs/dbraw/zinc/21/58/09/607215809.db2.gz QTLMAEUNSKQVNP-AWEZNQCLSA-N -1 1 383.416 -0.664 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000823127016 607215667 /nfs/dbraw/zinc/21/56/67/607215667.db2.gz QTLMAEUNSKQVNP-CQSZACIVSA-N -1 1 383.416 -0.664 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000823127070 946324699 /nfs/dbraw/zinc/32/46/99/946324699.db2.gz RSTUQOXBEZNJAM-AWEZNQCLSA-N -1 1 395.427 -0.192 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000823127071 946323558 /nfs/dbraw/zinc/32/35/58/946323558.db2.gz RSTUQOXBEZNJAM-CQSZACIVSA-N -1 1 395.427 -0.192 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000823127080 607206632 /nfs/dbraw/zinc/20/66/32/607206632.db2.gz RZHXSMNWNBMXMD-UHFFFAOYSA-N -1 1 399.390 -0.028 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000823127085 607216212 /nfs/dbraw/zinc/21/62/12/607216212.db2.gz SGYYOYZOXKVHNZ-HNNXBMFYSA-N -1 1 397.443 -0.482 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000823127086 607216254 /nfs/dbraw/zinc/21/62/54/607216254.db2.gz SGYYOYZOXKVHNZ-OAHLLOKOSA-N -1 1 397.443 -0.482 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000823127097 607220604 /nfs/dbraw/zinc/22/06/04/607220604.db2.gz SSWDYEGQBJZZML-HZSPNIEDSA-N -1 1 393.411 -0.269 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000823127098 607220544 /nfs/dbraw/zinc/22/05/44/607220544.db2.gz SSWDYEGQBJZZML-MCIONIFRSA-N -1 1 393.411 -0.269 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000823127099 607220483 /nfs/dbraw/zinc/22/04/83/607220483.db2.gz SSWDYEGQBJZZML-MGPQQGTHSA-N -1 1 393.411 -0.269 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000823127100 607220684 /nfs/dbraw/zinc/22/06/84/607220684.db2.gz SSWDYEGQBJZZML-RDBSUJKOSA-N -1 1 393.411 -0.269 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000823127112 607209886 /nfs/dbraw/zinc/20/98/86/607209886.db2.gz UBHCTGZMONFONS-UHFFFAOYSA-N -1 1 387.429 -0.106 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000823127137 607219098 /nfs/dbraw/zinc/21/90/98/607219098.db2.gz UNQRHPBIOJLQFO-UHFFFAOYSA-N -1 1 397.428 -0.188 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCC(=O)N1CCc2ccccc21 ZINC000823127165 607217297 /nfs/dbraw/zinc/21/72/97/607217297.db2.gz VQHQBSKVRFATCO-UHFFFAOYSA-N -1 1 381.400 -0.056 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000823127173 607206812 /nfs/dbraw/zinc/20/68/12/607206812.db2.gz VTNNNUMMQLSUHC-UHFFFAOYSA-N -1 1 399.390 -0.028 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000823127178 607222571 /nfs/dbraw/zinc/22/25/71/607222571.db2.gz WAAIFIUBQJZXNB-GHMZBOCLSA-N -1 1 390.429 -0.129 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000823127179 607222696 /nfs/dbraw/zinc/22/26/96/607222696.db2.gz WAAIFIUBQJZXNB-MNOVXSKESA-N -1 1 390.429 -0.129 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000823127180 607222618 /nfs/dbraw/zinc/22/26/18/607222618.db2.gz WAAIFIUBQJZXNB-QWRGUYRKSA-N -1 1 390.429 -0.129 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823127181 607222655 /nfs/dbraw/zinc/22/26/55/607222655.db2.gz WAAIFIUBQJZXNB-WDEREUQCSA-N -1 1 390.429 -0.129 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000823127204 607217806 /nfs/dbraw/zinc/21/78/06/607217806.db2.gz WLJJCEIRVPACKY-UHFFFAOYSA-N -1 1 377.306 -0.497 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000823127232 607206082 /nfs/dbraw/zinc/20/60/82/607206082.db2.gz XHQFVJTZRQVDEB-AWEZNQCLSA-N -1 1 383.416 -0.352 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000823127233 607206176 /nfs/dbraw/zinc/20/61/76/607206176.db2.gz XHQFVJTZRQVDEB-CQSZACIVSA-N -1 1 383.416 -0.352 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000823127238 607211701 /nfs/dbraw/zinc/21/17/01/607211701.db2.gz XMPRJMMAGFMIFC-UHFFFAOYSA-N -1 1 393.362 -0.606 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000823127276 607220462 /nfs/dbraw/zinc/22/04/62/607220462.db2.gz YQNBXQQMDOUJAY-UHFFFAOYSA-N -1 1 395.383 0.000 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000823127281 607206641 /nfs/dbraw/zinc/20/66/41/607206641.db2.gz YWBWELJPODFTJU-UHFFFAOYSA-N -1 1 388.436 -0.355 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000823131065 607208460 /nfs/dbraw/zinc/20/84/60/607208460.db2.gz BRDHFHCPEFTRMI-UHFFFAOYSA-N -1 1 397.399 -0.502 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNC(=O)c1ccc(Cl)cc1 ZINC000823131260 607206753 /nfs/dbraw/zinc/20/67/53/607206753.db2.gz DNSLGECVSZXYLW-UHFFFAOYSA-N -1 1 375.780 -0.342 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000823131275 607208246 /nfs/dbraw/zinc/20/82/46/607208246.db2.gz FBETVUIDOLBEAH-UHFFFAOYSA-N -1 1 383.372 -0.431 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCCN1C(=O)c2ccccc2C1=O ZINC000823131308 607216245 /nfs/dbraw/zinc/21/62/45/607216245.db2.gz FRFDEQGYXMZGPT-UHFFFAOYSA-N -1 1 395.383 -0.349 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc(F)ccc1N1CCOCC1 ZINC000823131401 607219056 /nfs/dbraw/zinc/21/90/56/607219056.db2.gz GZMVWFZZSYRHHN-UHFFFAOYSA-N -1 1 387.379 -0.250 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNc1nccc(C(F)(F)F)n1 ZINC000823131529 607218567 /nfs/dbraw/zinc/21/85/67/607218567.db2.gz IRQAQYOKIMVBRR-UHFFFAOYSA-N -1 1 383.298 -0.505 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCN1C(=O)COc2ccccc21 ZINC000823131626 607219915 /nfs/dbraw/zinc/21/99/15/607219915.db2.gz KLTJGHQTOLHWKR-UHFFFAOYSA-N -1 1 383.372 -0.610 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000823131635 607211161 /nfs/dbraw/zinc/21/11/61/607211161.db2.gz KUJIYDMEMAKCSN-UHFFFAOYSA-N -1 1 391.395 -0.015 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCS(=O)(=O)c1ccccc1 ZINC000823131925 607211831 /nfs/dbraw/zinc/21/18/31/607211831.db2.gz QZTLKGQQKZYRAA-UHFFFAOYSA-N -1 1 376.402 -0.562 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000823131961 607209757 /nfs/dbraw/zinc/20/97/57/607209757.db2.gz SISMRLFJIAVNGN-UHFFFAOYSA-N -1 1 396.820 -0.298 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNC(=O)c1c(F)cccc1F ZINC000823132021 607217132 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O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823162078 606543798 /nfs/dbraw/zinc/54/37/98/606543798.db2.gz SPMPAYPXILSNIR-ZJUUUORDSA-N -1 1 398.470 -0.844 20 0 GBADMM O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823162078 606543796 /nfs/dbraw/zinc/54/37/96/606543796.db2.gz SPMPAYPXILSNIR-ZJUUUORDSA-N -1 1 398.470 -0.844 20 0 GBADMM O=C(NCCNS(=O)(=O)Cc1ccon1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823201180 606117590 /nfs/dbraw/zinc/11/75/90/606117590.db2.gz CDUORKMFANZTBZ-UHFFFAOYSA-N -1 1 378.374 -0.901 20 0 GBADMM O=C(NCCNS(=O)(=O)Cc1ccon1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823201180 606117589 /nfs/dbraw/zinc/11/75/89/606117589.db2.gz CDUORKMFANZTBZ-UHFFFAOYSA-N -1 1 378.374 -0.901 20 0 GBADMM O=C(NCCNS(=O)(=O)Cc1ccon1)c1ccc(-c2nn[n-]n2)s1 ZINC000823201338 606117421 /nfs/dbraw/zinc/11/74/21/606117421.db2.gz HJCJBAUZGRUNPY-UHFFFAOYSA-N -1 1 383.415 -0.234 20 0 GBADMM O=C(NCCNS(=O)(=O)Cc1ccon1)c1ccc(-c2nnn[n-]2)s1 ZINC000823201338 606117419 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20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000823372786 607209197 /nfs/dbraw/zinc/20/91/97/607209197.db2.gz KLNUYTRMVKZABB-NSHDSACASA-N -1 1 382.388 -0.270 20 0 GBADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823379724 607106785 /nfs/dbraw/zinc/10/67/85/607106785.db2.gz GFPDLHLPENAWQW-UHFFFAOYSA-N -1 1 378.399 -0.241 20 0 GBADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823379724 607106783 /nfs/dbraw/zinc/10/67/83/607106783.db2.gz GFPDLHLPENAWQW-UHFFFAOYSA-N -1 1 378.399 -0.241 20 0 GBADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000823380042 607024840 /nfs/dbraw/zinc/02/48/40/607024840.db2.gz OHBRZEKETBDEMG-UHFFFAOYSA-N -1 1 378.399 -0.241 20 0 GBADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000823380042 607024838 /nfs/dbraw/zinc/02/48/38/607024838.db2.gz OHBRZEKETBDEMG-UHFFFAOYSA-N -1 1 378.399 -0.241 20 0 GBADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000823430230 606651425 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C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000824448971 608130082 /nfs/dbraw/zinc/13/00/82/608130082.db2.gz LKXKVCLICHWVFH-ISTLGGKUSA-N -1 1 393.477 -0.356 20 0 GBADMM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000824448971 608130081 /nfs/dbraw/zinc/13/00/81/608130081.db2.gz LKXKVCLICHWVFH-ISTLGGKUSA-N -1 1 393.477 -0.356 20 0 GBADMM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824448972 608130332 /nfs/dbraw/zinc/13/03/32/608130332.db2.gz LKXKVCLICHWVFH-SRZUTIMKSA-N -1 1 393.477 -0.356 20 0 GBADMM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824448972 608130331 /nfs/dbraw/zinc/13/03/31/608130331.db2.gz LKXKVCLICHWVFH-SRZUTIMKSA-N -1 1 393.477 -0.356 20 0 GBADMM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824448973 608130094 /nfs/dbraw/zinc/13/00/94/608130094.db2.gz LKXKVCLICHWVFH-WSJJBZPDSA-N -1 1 393.477 -0.356 20 0 GBADMM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824448973 608130093 /nfs/dbraw/zinc/13/00/93/608130093.db2.gz LKXKVCLICHWVFH-WSJJBZPDSA-N -1 1 393.477 -0.356 20 0 GBADMM CC(C)c1cc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)n[nH]1 ZINC000824453570 603552807 /nfs/dbraw/zinc/55/28/07/603552807.db2.gz PBDKEYIJTFKSOI-UHFFFAOYSA-N -1 1 385.446 -0.017 20 0 GBADMM C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824520760 608212480 /nfs/dbraw/zinc/21/24/80/608212480.db2.gz DLQFPTUVYNGCID-SECBINFHSA-N -1 1 387.404 -0.026 20 0 GBADMM C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824520760 608212478 /nfs/dbraw/zinc/21/24/78/608212478.db2.gz DLQFPTUVYNGCID-SECBINFHSA-N -1 1 387.404 -0.026 20 0 GBADMM C[C@H](NC(=O)c1ccoc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824520761 608212904 /nfs/dbraw/zinc/21/29/04/608212904.db2.gz DLQFPTUVYNGCID-VIFPVBQESA-N -1 1 387.404 -0.026 20 0 GBADMM C[C@H](NC(=O)c1ccoc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824520761 608212903 /nfs/dbraw/zinc/21/29/03/608212903.db2.gz DLQFPTUVYNGCID-VIFPVBQESA-N -1 1 387.404 -0.026 20 0 GBADMM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000824677284 608239429 /nfs/dbraw/zinc/23/94/29/608239429.db2.gz CNMKWUMTOKWSLF-SECBINFHSA-N -1 1 384.393 -0.781 20 0 GBADMM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000824677285 608239260 /nfs/dbraw/zinc/23/92/60/608239260.db2.gz CNMKWUMTOKWSLF-VIFPVBQESA-N -1 1 384.393 -0.781 20 0 GBADMM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824677538 608239523 /nfs/dbraw/zinc/23/95/23/608239523.db2.gz FVVCBTOVBYHXIS-SECBINFHSA-N -1 1 384.393 -0.781 20 0 GBADMM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824677539 608239422 /nfs/dbraw/zinc/23/94/22/608239422.db2.gz FVVCBTOVBYHXIS-VIFPVBQESA-N -1 1 384.393 -0.781 20 0 GBADMM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824679780 608239453 /nfs/dbraw/zinc/23/94/53/608239453.db2.gz VVTJMABMOKAIIU-SECBINFHSA-N -1 1 384.393 -0.781 20 0 GBADMM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824679780 608239452 /nfs/dbraw/zinc/23/94/52/608239452.db2.gz VVTJMABMOKAIIU-SECBINFHSA-N -1 1 384.393 -0.781 20 0 GBADMM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824679782 608239555 /nfs/dbraw/zinc/23/95/55/608239555.db2.gz VVTJMABMOKAIIU-VIFPVBQESA-N -1 1 384.393 -0.781 20 0 GBADMM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824679782 608239554 /nfs/dbraw/zinc/23/95/54/608239554.db2.gz VVTJMABMOKAIIU-VIFPVBQESA-N -1 1 384.393 -0.781 20 0 GBADMM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824690760 609640384 /nfs/dbraw/zinc/64/03/84/609640384.db2.gz VNGUGHNBBWZZRL-NXEZZACHSA-N -1 1 376.421 -0.014 20 0 GBADMM C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824690760 609640383 /nfs/dbraw/zinc/64/03/83/609640383.db2.gz VNGUGHNBBWZZRL-NXEZZACHSA-N -1 1 376.421 -0.014 20 0 GBADMM C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824690761 609640365 /nfs/dbraw/zinc/64/03/65/609640365.db2.gz VNGUGHNBBWZZRL-UWVGGRQHSA-N -1 1 376.421 -0.014 20 0 GBADMM C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824690761 609640364 /nfs/dbraw/zinc/64/03/64/609640364.db2.gz VNGUGHNBBWZZRL-UWVGGRQHSA-N -1 1 376.421 -0.014 20 0 GBADMM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824690762 609640266 /nfs/dbraw/zinc/64/02/66/609640266.db2.gz VNGUGHNBBWZZRL-VHSXEESVSA-N -1 1 376.421 -0.014 20 0 GBADMM C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824690762 609640265 /nfs/dbraw/zinc/64/02/65/609640265.db2.gz VNGUGHNBBWZZRL-VHSXEESVSA-N -1 1 376.421 -0.014 20 0 GBADMM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824690763 609640290 /nfs/dbraw/zinc/64/02/90/609640290.db2.gz VNGUGHNBBWZZRL-ZJUUUORDSA-N -1 1 376.421 -0.014 20 0 GBADMM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824690763 609640289 /nfs/dbraw/zinc/64/02/89/609640289.db2.gz VNGUGHNBBWZZRL-ZJUUUORDSA-N -1 1 376.421 -0.014 20 0 GBADMM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)nn1 ZINC000824705449 609496699 /nfs/dbraw/zinc/49/66/99/609496699.db2.gz ATBLTVHRXKXOMJ-MRVPVSSYSA-N -1 1 394.392 -0.104 20 0 GBADMM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)nn1 ZINC000824705450 609496625 /nfs/dbraw/zinc/49/66/25/609496625.db2.gz ATBLTVHRXKXOMJ-QMMMGPOBSA-N -1 1 394.392 -0.104 20 0 GBADMM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)nn1 ZINC000824706922 609496690 /nfs/dbraw/zinc/49/66/90/609496690.db2.gz MANZUIREDYYWDT-MRVPVSSYSA-N -1 1 394.392 -0.104 20 0 GBADMM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)nn1 ZINC000824706923 609496713 /nfs/dbraw/zinc/49/67/13/609496713.db2.gz MANZUIREDYYWDT-QMMMGPOBSA-N -1 1 394.392 -0.104 20 0 GBADMM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)nn1 ZINC000824707694 609496762 /nfs/dbraw/zinc/49/67/62/609496762.db2.gz UDWYTDMYFHZNHH-MRVPVSSYSA-N -1 1 394.392 -0.104 20 0 GBADMM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)nn1 ZINC000824707694 609496759 /nfs/dbraw/zinc/49/67/59/609496759.db2.gz UDWYTDMYFHZNHH-MRVPVSSYSA-N -1 1 394.392 -0.104 20 0 GBADMM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)nn1 ZINC000824707695 609496613 /nfs/dbraw/zinc/49/66/13/609496613.db2.gz UDWYTDMYFHZNHH-QMMMGPOBSA-N -1 1 394.392 -0.104 20 0 GBADMM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)nn1 ZINC000824707695 609496612 /nfs/dbraw/zinc/49/66/12/609496612.db2.gz UDWYTDMYFHZNHH-QMMMGPOBSA-N -1 1 394.392 -0.104 20 0 GBADMM CC1(C)NC(=O)N(CCS(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824813471 607535298 /nfs/dbraw/zinc/53/52/98/607535298.db2.gz ZLPNRMJKOSUFEY-UHFFFAOYSA-N -1 1 379.402 -0.493 20 0 GBADMM CC1(C)NC(=O)N(CCS(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824813471 607535296 /nfs/dbraw/zinc/53/52/96/607535296.db2.gz ZLPNRMJKOSUFEY-UHFFFAOYSA-N -1 1 379.402 -0.493 20 0 GBADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(C)OCCO2)n1 ZINC000824824910 608359536 /nfs/dbraw/zinc/35/95/36/608359536.db2.gz YLFSISMVRWZVAN-UHFFFAOYSA-N -1 1 378.393 -0.364 20 0 GBADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(C)OCCO2)n1 ZINC000824824910 608359534 /nfs/dbraw/zinc/35/95/34/608359534.db2.gz YLFSISMVRWZVAN-UHFFFAOYSA-N -1 1 378.393 -0.364 20 0 GBADMM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2ccnc2-c2nn[n-]n2)C1=O ZINC000824843419 608887989 /nfs/dbraw/zinc/88/79/89/608887989.db2.gz DWOWNURVPGGJSS-INIZCTEOSA-N -1 1 381.356 -0.438 20 0 GBADMM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2ccnc2-c2nnn[n-]2)C1=O ZINC000824843419 608887988 /nfs/dbraw/zinc/88/79/88/608887988.db2.gz DWOWNURVPGGJSS-INIZCTEOSA-N -1 1 381.356 -0.438 20 0 GBADMM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2ccnc2-c2nn[n-]n2)C1=O ZINC000824843423 608887550 /nfs/dbraw/zinc/88/75/50/608887550.db2.gz DWOWNURVPGGJSS-MRXNPFEDSA-N -1 1 381.356 -0.438 20 0 GBADMM C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2ccnc2-c2nnn[n-]2)C1=O ZINC000824843423 608887547 /nfs/dbraw/zinc/88/75/47/608887547.db2.gz DWOWNURVPGGJSS-MRXNPFEDSA-N -1 1 381.356 -0.438 20 0 GBADMM CC1CCC2(CC1)OC[C@H](CNc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)O2 ZINC000824917874 609173030 /nfs/dbraw/zinc/17/30/30/609173030.db2.gz ONICYTICIHQXMX-GCULGPDHSA-N -1 1 391.432 -0.002 20 0 GBADMM CC1CCC2(CC1)OC[C@@H](CNc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)O2 ZINC000824917875 609173007 /nfs/dbraw/zinc/17/30/07/609173007.db2.gz ONICYTICIHQXMX-VVHFOWEKSA-N -1 1 391.432 -0.002 20 0 GBADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824939950 608095494 /nfs/dbraw/zinc/09/54/94/608095494.db2.gz YITMTWUPVHUGMZ-AAEUAGOBSA-N -1 1 391.432 -0.561 20 0 GBADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824939951 608095646 /nfs/dbraw/zinc/09/56/46/608095646.db2.gz YITMTWUPVHUGMZ-DGCLKSJQSA-N -1 1 391.432 -0.561 20 0 GBADMM C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824939952 608095580 /nfs/dbraw/zinc/09/55/80/608095580.db2.gz YITMTWUPVHUGMZ-WCQYABFASA-N -1 1 391.432 -0.561 20 0 GBADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824939953 608095736 /nfs/dbraw/zinc/09/57/36/608095736.db2.gz YITMTWUPVHUGMZ-YPMHNXCESA-N -1 1 391.432 -0.561 20 0 GBADMM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000824962994 609325301 /nfs/dbraw/zinc/32/53/01/609325301.db2.gz YOTGTVAJWHIMHC-NEPJUHHUSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000824962994 609325299 /nfs/dbraw/zinc/32/52/99/609325299.db2.gz YOTGTVAJWHIMHC-NEPJUHHUSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@H]1CCN(S(=O)(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000824963001 609324976 /nfs/dbraw/zinc/32/49/76/609324976.db2.gz YOTGTVAJWHIMHC-NWDGAFQWSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@H]1CCN(S(=O)(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000824963001 609324974 /nfs/dbraw/zinc/32/49/74/609324974.db2.gz YOTGTVAJWHIMHC-NWDGAFQWSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@H]1CCN(S(=O)(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000824963003 609325400 /nfs/dbraw/zinc/32/54/00/609325400.db2.gz YOTGTVAJWHIMHC-RYUDHWBXSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@H]1CCN(S(=O)(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000824963003 609325398 /nfs/dbraw/zinc/32/53/98/609325398.db2.gz YOTGTVAJWHIMHC-RYUDHWBXSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000824963005 609325315 /nfs/dbraw/zinc/32/53/15/609325315.db2.gz YOTGTVAJWHIMHC-VXGBXAGGSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000824963005 609325313 /nfs/dbraw/zinc/32/53/13/609325313.db2.gz YOTGTVAJWHIMHC-VXGBXAGGSA-N -1 1 393.477 -0.246 20 0 GBADMM C[C@@H]1CN(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824984299 609302155 /nfs/dbraw/zinc/30/21/55/609302155.db2.gz IHZAFFVTUPOXAW-LLVKDONJSA-N -1 1 392.468 -0.533 20 0 GBADMM C[C@@H]1CN(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824984299 609302153 /nfs/dbraw/zinc/30/21/53/609302153.db2.gz IHZAFFVTUPOXAW-LLVKDONJSA-N -1 1 392.468 -0.533 20 0 GBADMM C[C@H]1CN(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824984301 609302308 /nfs/dbraw/zinc/30/23/08/609302308.db2.gz IHZAFFVTUPOXAW-NSHDSACASA-N -1 1 392.468 -0.533 20 0 GBADMM C[C@H]1CN(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824984301 609302306 /nfs/dbraw/zinc/30/23/06/609302306.db2.gz IHZAFFVTUPOXAW-NSHDSACASA-N -1 1 392.468 -0.533 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCS1(=O)=O ZINC000824991576 607619611 /nfs/dbraw/zinc/61/96/11/607619611.db2.gz CJNIHVPJYCMRAB-MRVPVSSYSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCS1(=O)=O ZINC000824991577 607619857 /nfs/dbraw/zinc/61/98/57/607619857.db2.gz CJNIHVPJYCMRAB-QMMMGPOBSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCN1CC(F)(F)F ZINC000824992077 608100418 /nfs/dbraw/zinc/10/04/18/608100418.db2.gz JOSAKPAURSSZLS-MRVPVSSYSA-N -1 1 388.354 -0.663 20 0 GBADMM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCN1CC(F)(F)F ZINC000824992079 608100527 /nfs/dbraw/zinc/10/05/27/608100527.db2.gz JOSAKPAURSSZLS-QMMMGPOBSA-N -1 1 388.354 -0.663 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCS1(=O)=O ZINC000824994575 607619702 /nfs/dbraw/zinc/61/97/02/607619702.db2.gz VPCBGVYEOTXCMQ-MRVPVSSYSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCS1(=O)=O ZINC000824994575 607619701 /nfs/dbraw/zinc/61/97/01/607619701.db2.gz VPCBGVYEOTXCMQ-MRVPVSSYSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCS1(=O)=O ZINC000824994577 607619850 /nfs/dbraw/zinc/61/98/50/607619850.db2.gz VPCBGVYEOTXCMQ-QMMMGPOBSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCS1(=O)=O ZINC000824994577 607619849 /nfs/dbraw/zinc/61/98/49/607619849.db2.gz VPCBGVYEOTXCMQ-QMMMGPOBSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(C(N)=O)n1 ZINC000824998934 609413779 /nfs/dbraw/zinc/41/37/79/609413779.db2.gz AKALUTQCCLNOJY-JTQLQIEISA-N -1 1 394.399 -0.499 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(C(N)=O)n1 ZINC000824998934 609413777 /nfs/dbraw/zinc/41/37/77/609413777.db2.gz AKALUTQCCLNOJY-JTQLQIEISA-N -1 1 394.399 -0.499 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(C(N)=O)n1 ZINC000824998935 609413869 /nfs/dbraw/zinc/41/38/69/609413869.db2.gz AKALUTQCCLNOJY-SNVBAGLBSA-N -1 1 394.399 -0.499 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(C(N)=O)n1 ZINC000824998935 609413866 /nfs/dbraw/zinc/41/38/66/609413866.db2.gz AKALUTQCCLNOJY-SNVBAGLBSA-N -1 1 394.399 -0.499 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1ccnn1C ZINC000824999143 607515487 /nfs/dbraw/zinc/51/54/87/607515487.db2.gz CSEXRAQZTUTFMX-JTQLQIEISA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1ccnn1C ZINC000824999143 607515485 /nfs/dbraw/zinc/51/54/85/607515485.db2.gz CSEXRAQZTUTFMX-JTQLQIEISA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1ccnn1C ZINC000824999144 607515181 /nfs/dbraw/zinc/51/51/81/607515181.db2.gz CSEXRAQZTUTFMX-SNVBAGLBSA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1ccnn1C ZINC000824999144 607515179 /nfs/dbraw/zinc/51/51/79/607515179.db2.gz CSEXRAQZTUTFMX-SNVBAGLBSA-N -1 1 397.403 -0.934 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(N(C)C)cn1 ZINC000824999147 609500727 /nfs/dbraw/zinc/50/07/27/609500727.db2.gz CUKTUPWATHYIDB-LLVKDONJSA-N -1 1 395.431 -0.136 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(N(C)C)cn1 ZINC000824999147 609500723 /nfs/dbraw/zinc/50/07/23/609500723.db2.gz CUKTUPWATHYIDB-LLVKDONJSA-N -1 1 395.431 -0.136 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(N(C)C)cn1 ZINC000824999148 609501099 /nfs/dbraw/zinc/50/10/99/609501099.db2.gz CUKTUPWATHYIDB-NSHDSACASA-N -1 1 395.431 -0.136 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(N(C)C)cn1 ZINC000824999148 609501097 /nfs/dbraw/zinc/50/10/97/609501097.db2.gz CUKTUPWATHYIDB-NSHDSACASA-N -1 1 395.431 -0.136 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC1(CS(C)(=O)=O)CC1 ZINC000824999371 608451562 /nfs/dbraw/zinc/45/15/62/608451562.db2.gz GEMLHLXORWBPHD-GFCCVEGCSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC1(CS(C)(=O)=O)CC1 ZINC000824999371 608451561 /nfs/dbraw/zinc/45/15/61/608451561.db2.gz GEMLHLXORWBPHD-GFCCVEGCSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC1(CS(C)(=O)=O)CC1 ZINC000824999372 608451460 /nfs/dbraw/zinc/45/14/60/608451460.db2.gz GEMLHLXORWBPHD-LBPRGKRZSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC1(CS(C)(=O)=O)CC1 ZINC000824999372 608451458 /nfs/dbraw/zinc/45/14/58/608451458.db2.gz GEMLHLXORWBPHD-LBPRGKRZSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1nc2n(c1=O)CCCC2 ZINC000824999529 607971182 /nfs/dbraw/zinc/97/11/82/607971182.db2.gz HIAZOVUEFBXMAN-GFCCVEGCSA-N -1 1 397.447 -0.481 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1nc2n(c1=O)CCCC2 ZINC000824999529 607971181 /nfs/dbraw/zinc/97/11/81/607971181.db2.gz HIAZOVUEFBXMAN-GFCCVEGCSA-N -1 1 397.447 -0.481 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1nc2n(c1=O)CCCC2 ZINC000824999530 607971252 /nfs/dbraw/zinc/97/12/52/607971252.db2.gz HIAZOVUEFBXMAN-LBPRGKRZSA-N -1 1 397.447 -0.481 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1nc2n(c1=O)CCCC2 ZINC000824999530 607971251 /nfs/dbraw/zinc/97/12/51/607971251.db2.gz HIAZOVUEFBXMAN-LBPRGKRZSA-N -1 1 397.447 -0.481 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H](O)c1cccnc1 ZINC000824999596 608203057 /nfs/dbraw/zinc/20/30/57/608203057.db2.gz IIBDNFCRTGWYFZ-BXUZGUMPSA-N -1 1 381.400 -0.178 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H](O)c1cccnc1 ZINC000824999596 608203055 /nfs/dbraw/zinc/20/30/55/608203055.db2.gz IIBDNFCRTGWYFZ-BXUZGUMPSA-N -1 1 381.400 -0.178 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H](O)c1cccnc1 ZINC000824999597 608203038 /nfs/dbraw/zinc/20/30/38/608203038.db2.gz IIBDNFCRTGWYFZ-FZMZJTMJSA-N -1 1 381.400 -0.178 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H](O)c1cccnc1 ZINC000824999597 608203036 /nfs/dbraw/zinc/20/30/36/608203036.db2.gz IIBDNFCRTGWYFZ-FZMZJTMJSA-N -1 1 381.400 -0.178 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H](O)c1cccnc1 ZINC000824999599 608202731 /nfs/dbraw/zinc/20/27/31/608202731.db2.gz IIBDNFCRTGWYFZ-RISCZKNCSA-N -1 1 381.400 -0.178 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H](O)c1cccnc1 ZINC000824999599 608202729 /nfs/dbraw/zinc/20/27/29/608202729.db2.gz IIBDNFCRTGWYFZ-RISCZKNCSA-N -1 1 381.400 -0.178 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H](O)c1cccnc1 ZINC000824999601 608202978 /nfs/dbraw/zinc/20/29/78/608202978.db2.gz IIBDNFCRTGWYFZ-SMDDNHRTSA-N -1 1 381.400 -0.178 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H](O)c1cccnc1 ZINC000824999601 608202977 /nfs/dbraw/zinc/20/29/77/608202977.db2.gz IIBDNFCRTGWYFZ-SMDDNHRTSA-N -1 1 381.400 -0.178 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1nc2cnccn2c1=O ZINC000825000230 607971147 /nfs/dbraw/zinc/97/11/47/607971147.db2.gz OHRCTGTYQKWUAX-LLVKDONJSA-N -1 1 394.403 -0.971 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1nc2cnccn2c1=O ZINC000825000230 607971146 /nfs/dbraw/zinc/97/11/46/607971146.db2.gz OHRCTGTYQKWUAX-LLVKDONJSA-N -1 1 394.403 -0.971 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1nc2cnccn2c1=O ZINC000825000231 607971086 /nfs/dbraw/zinc/97/10/86/607971086.db2.gz OHRCTGTYQKWUAX-NSHDSACASA-N -1 1 394.403 -0.971 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1nc2cnccn2c1=O ZINC000825000231 607971085 /nfs/dbraw/zinc/97/10/85/607971085.db2.gz OHRCTGTYQKWUAX-NSHDSACASA-N -1 1 394.403 -0.971 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC000825000328 607587509 /nfs/dbraw/zinc/58/75/09/607587509.db2.gz ONTJNDQRDSOSKQ-SECBINFHSA-N -1 1 383.372 -0.301 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC000825000328 607587507 /nfs/dbraw/zinc/58/75/07/607587507.db2.gz ONTJNDQRDSOSKQ-SECBINFHSA-N -1 1 383.372 -0.301 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC000825000329 607587162 /nfs/dbraw/zinc/58/71/62/607587162.db2.gz ONTJNDQRDSOSKQ-VIFPVBQESA-N -1 1 383.372 -0.301 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC000825000329 607587161 /nfs/dbraw/zinc/58/71/61/607587161.db2.gz ONTJNDQRDSOSKQ-VIFPVBQESA-N -1 1 383.372 -0.301 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccn(C)n1 ZINC000825000577 608241010 /nfs/dbraw/zinc/24/10/10/608241010.db2.gz SRJOYRPPCYOZQL-LLVKDONJSA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccn(C)n1 ZINC000825000577 608241008 /nfs/dbraw/zinc/24/10/08/608241008.db2.gz SRJOYRPPCYOZQL-LLVKDONJSA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccn(C)n1 ZINC000825000578 608241071 /nfs/dbraw/zinc/24/10/71/608241071.db2.gz SRJOYRPPCYOZQL-NSHDSACASA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccn(C)n1 ZINC000825000578 608241069 /nfs/dbraw/zinc/24/10/69/608241069.db2.gz SRJOYRPPCYOZQL-NSHDSACASA-N -1 1 383.420 -0.190 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1cnccn1 ZINC000825000616 608421940 /nfs/dbraw/zinc/42/19/40/608421940.db2.gz TYUHJIHCFQGRQB-GFCCVEGCSA-N -1 1 395.431 -0.091 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1cnccn1 ZINC000825000616 608421939 /nfs/dbraw/zinc/42/19/39/608421939.db2.gz TYUHJIHCFQGRQB-GFCCVEGCSA-N -1 1 395.431 -0.091 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1cnccn1 ZINC000825000617 608421951 /nfs/dbraw/zinc/42/19/51/608421951.db2.gz TYUHJIHCFQGRQB-LBPRGKRZSA-N -1 1 395.431 -0.091 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1cnccn1 ZINC000825000617 608421950 /nfs/dbraw/zinc/42/19/50/608421950.db2.gz TYUHJIHCFQGRQB-LBPRGKRZSA-N -1 1 395.431 -0.091 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1ccccn1 ZINC000825000762 607971258 /nfs/dbraw/zinc/97/12/58/607971258.db2.gz ULTCLYKSPZHTLA-LLVKDONJSA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1ccccn1 ZINC000825000762 607971257 /nfs/dbraw/zinc/97/12/57/607971257.db2.gz ULTCLYKSPZHTLA-LLVKDONJSA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1ccccn1 ZINC000825000763 607971173 /nfs/dbraw/zinc/97/11/73/607971173.db2.gz ULTCLYKSPZHTLA-NSHDSACASA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1ccccn1 ZINC000825000763 607971172 /nfs/dbraw/zinc/97/11/72/607971172.db2.gz ULTCLYKSPZHTLA-NSHDSACASA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cn(C)nn1 ZINC000825000780 947037134 /nfs/dbraw/zinc/03/71/34/947037134.db2.gz UUNUDVAKGWHXSG-JTQLQIEISA-N -1 1 384.408 -0.795 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cn(C)nn1 ZINC000825000780 947037119 /nfs/dbraw/zinc/03/71/19/947037119.db2.gz UUNUDVAKGWHXSG-JTQLQIEISA-N -1 1 384.408 -0.795 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cn(C)nn1 ZINC000825000781 947037696 /nfs/dbraw/zinc/03/76/96/947037696.db2.gz UUNUDVAKGWHXSG-SNVBAGLBSA-N -1 1 384.408 -0.795 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cn(C)nn1 ZINC000825000781 947037686 /nfs/dbraw/zinc/03/76/86/947037686.db2.gz UUNUDVAKGWHXSG-SNVBAGLBSA-N -1 1 384.408 -0.795 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000825000792 608188772 /nfs/dbraw/zinc/18/87/72/608188772.db2.gz UZQKGQLPUJTZBZ-SECBINFHSA-N -1 1 394.403 -0.246 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000825000792 608188771 /nfs/dbraw/zinc/18/87/71/608188771.db2.gz UZQKGQLPUJTZBZ-SECBINFHSA-N -1 1 394.403 -0.246 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000825000793 608188647 /nfs/dbraw/zinc/18/86/47/608188647.db2.gz UZQKGQLPUJTZBZ-VIFPVBQESA-N -1 1 394.403 -0.246 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000825000793 608188645 /nfs/dbraw/zinc/18/86/45/608188645.db2.gz UZQKGQLPUJTZBZ-VIFPVBQESA-N -1 1 394.403 -0.246 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(=O)n1C ZINC000825000836 607940651 /nfs/dbraw/zinc/94/06/51/607940651.db2.gz VQDBONXKYBOSMG-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(=O)n1C ZINC000825000836 607940650 /nfs/dbraw/zinc/94/06/50/607940650.db2.gz VQDBONXKYBOSMG-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(=O)n1C ZINC000825000838 607940703 /nfs/dbraw/zinc/94/07/03/607940703.db2.gz VQDBONXKYBOSMG-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(=O)n1C ZINC000825000838 607940702 /nfs/dbraw/zinc/94/07/02/607940702.db2.gz VQDBONXKYBOSMG-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC000825001046 608032533 /nfs/dbraw/zinc/03/25/33/608032533.db2.gz WQQCVOMWHKEPOL-CHWSQXEVSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC000825001046 608032532 /nfs/dbraw/zinc/03/25/32/608032532.db2.gz WQQCVOMWHKEPOL-CHWSQXEVSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC[C@H]1CCS(=O)(=O)C1 ZINC000825001049 608032784 /nfs/dbraw/zinc/03/27/84/608032784.db2.gz WQQCVOMWHKEPOL-OLZOCXBDSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC[C@H]1CCS(=O)(=O)C1 ZINC000825001049 608032783 /nfs/dbraw/zinc/03/27/83/608032783.db2.gz WQQCVOMWHKEPOL-OLZOCXBDSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC000825001051 608032557 /nfs/dbraw/zinc/03/25/57/608032557.db2.gz WQQCVOMWHKEPOL-QWHCGFSZSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC000825001051 608032556 /nfs/dbraw/zinc/03/25/56/608032556.db2.gz WQQCVOMWHKEPOL-QWHCGFSZSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC[C@H]1CCS(=O)(=O)C1 ZINC000825001054 608032738 /nfs/dbraw/zinc/03/27/38/608032738.db2.gz WQQCVOMWHKEPOL-STQMWFEESA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC[C@H]1CCS(=O)(=O)C1 ZINC000825001054 608032737 /nfs/dbraw/zinc/03/27/37/608032737.db2.gz WQQCVOMWHKEPOL-STQMWFEESA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCn1ccnn1 ZINC000825001107 608129722 /nfs/dbraw/zinc/12/97/22/608129722.db2.gz XBHSFQOKGAADAF-GFCCVEGCSA-N -1 1 398.435 -0.441 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCn1ccnn1 ZINC000825001107 608129721 /nfs/dbraw/zinc/12/97/21/608129721.db2.gz XBHSFQOKGAADAF-GFCCVEGCSA-N -1 1 398.435 -0.441 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCn1ccnn1 ZINC000825001108 608129652 /nfs/dbraw/zinc/12/96/52/608129652.db2.gz XBHSFQOKGAADAF-LBPRGKRZSA-N -1 1 398.435 -0.441 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCn1ccnn1 ZINC000825001108 608129651 /nfs/dbraw/zinc/12/96/51/608129651.db2.gz XBHSFQOKGAADAF-LBPRGKRZSA-N -1 1 398.435 -0.441 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCN1CCCS1(=O)=O ZINC000825001267 607640552 /nfs/dbraw/zinc/64/05/52/607640552.db2.gz YFVXCRRUOHWTFZ-GFCCVEGCSA-N -1 1 393.477 -0.797 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCN1CCCS1(=O)=O ZINC000825001267 607640551 /nfs/dbraw/zinc/64/05/51/607640551.db2.gz YFVXCRRUOHWTFZ-GFCCVEGCSA-N -1 1 393.477 -0.797 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCN1CCCS1(=O)=O ZINC000825001268 607640547 /nfs/dbraw/zinc/64/05/47/607640547.db2.gz YFVXCRRUOHWTFZ-LBPRGKRZSA-N -1 1 393.477 -0.797 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCN1CCCS1(=O)=O ZINC000825001268 607640546 /nfs/dbraw/zinc/64/05/46/607640546.db2.gz YFVXCRRUOHWTFZ-LBPRGKRZSA-N -1 1 393.477 -0.797 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC1CCS(=O)(=O)CC1 ZINC000825001269 608451023 /nfs/dbraw/zinc/45/10/23/608451023.db2.gz YJLGMGLELMMSNT-GFCCVEGCSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC1CCS(=O)(=O)CC1 ZINC000825001269 608451021 /nfs/dbraw/zinc/45/10/21/608451021.db2.gz YJLGMGLELMMSNT-GFCCVEGCSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC1CCS(=O)(=O)CC1 ZINC000825001270 608451313 /nfs/dbraw/zinc/45/13/13/608451313.db2.gz YJLGMGLELMMSNT-LBPRGKRZSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC1CCS(=O)(=O)CC1 ZINC000825001270 608451312 /nfs/dbraw/zinc/45/13/12/608451312.db2.gz YJLGMGLELMMSNT-LBPRGKRZSA-N -1 1 392.489 -0.008 20 0 GBADMM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825005686 608358205 /nfs/dbraw/zinc/35/82/05/608358205.db2.gz CBPPUEFEZXEJCO-NXEZZACHSA-N -1 1 392.420 -0.635 20 0 GBADMM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825005686 608358204 /nfs/dbraw/zinc/35/82/04/608358204.db2.gz CBPPUEFEZXEJCO-NXEZZACHSA-N -1 1 392.420 -0.635 20 0 GBADMM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825005687 608358676 /nfs/dbraw/zinc/35/86/76/608358676.db2.gz CBPPUEFEZXEJCO-UWVGGRQHSA-N -1 1 392.420 -0.635 20 0 GBADMM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825005687 608358674 /nfs/dbraw/zinc/35/86/74/608358674.db2.gz CBPPUEFEZXEJCO-UWVGGRQHSA-N -1 1 392.420 -0.635 20 0 GBADMM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825005688 608358304 /nfs/dbraw/zinc/35/83/04/608358304.db2.gz CBPPUEFEZXEJCO-VHSXEESVSA-N -1 1 392.420 -0.635 20 0 GBADMM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825005688 608358303 /nfs/dbraw/zinc/35/83/03/608358303.db2.gz CBPPUEFEZXEJCO-VHSXEESVSA-N -1 1 392.420 -0.635 20 0 GBADMM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825005689 608358424 /nfs/dbraw/zinc/35/84/24/608358424.db2.gz CBPPUEFEZXEJCO-ZJUUUORDSA-N -1 1 392.420 -0.635 20 0 GBADMM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825005689 608358422 /nfs/dbraw/zinc/35/84/22/608358422.db2.gz CBPPUEFEZXEJCO-ZJUUUORDSA-N -1 1 392.420 -0.635 20 0 GBADMM C[C@@H]1COCCN1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825006686 609302356 /nfs/dbraw/zinc/30/23/56/609302356.db2.gz OCAAYFGDGJGJQR-LLVKDONJSA-N -1 1 392.468 -0.533 20 0 GBADMM C[C@@H]1COCCN1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825006686 609302355 /nfs/dbraw/zinc/30/23/55/609302355.db2.gz OCAAYFGDGJGJQR-LLVKDONJSA-N -1 1 392.468 -0.533 20 0 GBADMM C[C@H]1COCCN1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825006687 609301973 /nfs/dbraw/zinc/30/19/73/609301973.db2.gz OCAAYFGDGJGJQR-NSHDSACASA-N -1 1 392.468 -0.533 20 0 GBADMM C[C@H]1COCCN1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825006687 609301971 /nfs/dbraw/zinc/30/19/71/609301971.db2.gz OCAAYFGDGJGJQR-NSHDSACASA-N -1 1 392.468 -0.533 20 0 GBADMM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825012173 607639725 /nfs/dbraw/zinc/63/97/25/607639725.db2.gz DTEYXFVRGCPZDP-MRVPVSSYSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825012174 607639463 /nfs/dbraw/zinc/63/94/63/607639463.db2.gz DTEYXFVRGCPZDP-QMMMGPOBSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825012559 607639412 /nfs/dbraw/zinc/63/94/12/607639412.db2.gz JKTARCHIHOWKOE-MRVPVSSYSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825012559 607639411 /nfs/dbraw/zinc/63/94/11/607639411.db2.gz JKTARCHIHOWKOE-MRVPVSSYSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825012560 607639782 /nfs/dbraw/zinc/63/97/82/607639782.db2.gz JKTARCHIHOWKOE-QMMMGPOBSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825012560 607639780 /nfs/dbraw/zinc/63/97/80/607639780.db2.gz JKTARCHIHOWKOE-QMMMGPOBSA-N -1 1 375.407 -0.187 20 0 GBADMM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825014979 608891467 /nfs/dbraw/zinc/89/14/67/608891467.db2.gz YOCFGIYUVPYMKW-SECBINFHSA-N -1 1 388.413 -0.312 20 0 GBADMM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825014979 608891462 /nfs/dbraw/zinc/89/14/62/608891462.db2.gz YOCFGIYUVPYMKW-SECBINFHSA-N -1 1 388.413 -0.312 20 0 GBADMM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825014982 608891724 /nfs/dbraw/zinc/89/17/24/608891724.db2.gz YOCFGIYUVPYMKW-VIFPVBQESA-N -1 1 388.413 -0.312 20 0 GBADMM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825014982 608891723 /nfs/dbraw/zinc/89/17/23/608891723.db2.gz YOCFGIYUVPYMKW-VIFPVBQESA-N -1 1 388.413 -0.312 20 0 GBADMM C[C@H]1Oc2ccc(C(=O)Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)cc2NC1=O ZINC000825020783 608095543 /nfs/dbraw/zinc/09/55/43/608095543.db2.gz LQKORMVDYVYUJZ-MRVPVSSYSA-N -1 1 397.351 -0.671 20 0 GBADMM C[C@@H]1Oc2ccc(C(=O)Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)cc2NC1=O ZINC000825020784 608095678 /nfs/dbraw/zinc/09/56/78/608095678.db2.gz LQKORMVDYVYUJZ-QMMMGPOBSA-N -1 1 397.351 -0.671 20 0 GBADMM CCC(=O)N1CSC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825034617 608210813 /nfs/dbraw/zinc/21/08/13/608210813.db2.gz NLXIRERALBJXDF-JTQLQIEISA-N -1 1 393.477 -0.126 20 0 GBADMM CCC(=O)N1CSC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825034617 608210811 /nfs/dbraw/zinc/21/08/11/608210811.db2.gz NLXIRERALBJXDF-JTQLQIEISA-N -1 1 393.477 -0.126 20 0 GBADMM CCC(=O)N1CSC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825034618 608211118 /nfs/dbraw/zinc/21/11/18/608211118.db2.gz NLXIRERALBJXDF-SNVBAGLBSA-N -1 1 393.477 -0.126 20 0 GBADMM CCC(=O)N1CSC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825034618 608211117 /nfs/dbraw/zinc/21/11/17/608211117.db2.gz NLXIRERALBJXDF-SNVBAGLBSA-N -1 1 393.477 -0.126 20 0 GBADMM CCC(=O)N1CC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825035117 608556399 /nfs/dbraw/zinc/55/63/99/608556399.db2.gz VPZPKVWHUZRBDR-JTQLQIEISA-N -1 1 375.437 -0.179 20 0 GBADMM CCC(=O)N1CC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825035117 608556398 /nfs/dbraw/zinc/55/63/98/608556398.db2.gz VPZPKVWHUZRBDR-JTQLQIEISA-N -1 1 375.437 -0.179 20 0 GBADMM CCC(=O)N1CC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825035119 608555975 /nfs/dbraw/zinc/55/59/75/608555975.db2.gz VPZPKVWHUZRBDR-SNVBAGLBSA-N -1 1 375.437 -0.179 20 0 GBADMM CCC(=O)N1CC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825035119 608555972 /nfs/dbraw/zinc/55/59/72/608555972.db2.gz VPZPKVWHUZRBDR-SNVBAGLBSA-N -1 1 375.437 -0.179 20 0 GBADMM CCC(=O)N1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825035172 609309503 /nfs/dbraw/zinc/30/95/03/609309503.db2.gz WGUSZNIUEDNBRP-JTQLQIEISA-N -1 1 390.452 -0.243 20 0 GBADMM CCC(=O)N1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825035172 609309501 /nfs/dbraw/zinc/30/95/01/609309501.db2.gz WGUSZNIUEDNBRP-JTQLQIEISA-N -1 1 390.452 -0.243 20 0 GBADMM CCC(=O)N1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825035173 609309456 /nfs/dbraw/zinc/30/94/56/609309456.db2.gz WGUSZNIUEDNBRP-SNVBAGLBSA-N -1 1 390.452 -0.243 20 0 GBADMM CCC(=O)N1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825035173 609309454 /nfs/dbraw/zinc/30/94/54/609309454.db2.gz WGUSZNIUEDNBRP-SNVBAGLBSA-N -1 1 390.452 -0.243 20 0 GBADMM CC[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)N1CCCC1=O ZINC000825040157 608556428 /nfs/dbraw/zinc/55/64/28/608556428.db2.gz ZCPPDNRLCHHYRS-LLVKDONJSA-N -1 1 375.437 -0.036 20 0 GBADMM CC[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)N1CCCC1=O ZINC000825040157 608556427 /nfs/dbraw/zinc/55/64/27/608556427.db2.gz ZCPPDNRLCHHYRS-LLVKDONJSA-N -1 1 375.437 -0.036 20 0 GBADMM CC[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)N1CCCC1=O ZINC000825040159 608556212 /nfs/dbraw/zinc/55/62/12/608556212.db2.gz ZCPPDNRLCHHYRS-NSHDSACASA-N -1 1 375.437 -0.036 20 0 GBADMM CC[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)N1CCCC1=O ZINC000825040159 608556209 /nfs/dbraw/zinc/55/62/09/608556209.db2.gz ZCPPDNRLCHHYRS-NSHDSACASA-N -1 1 375.437 -0.036 20 0 GBADMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825066356 947066498 /nfs/dbraw/zinc/06/64/98/947066498.db2.gz CBEUNZLRNRVDFS-LLVKDONJSA-N -1 1 390.448 -0.235 20 0 GBADMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825066356 947066483 /nfs/dbraw/zinc/06/64/83/947066483.db2.gz CBEUNZLRNRVDFS-LLVKDONJSA-N -1 1 390.448 -0.235 20 0 GBADMM CC[C@H](C)NC(=O)CN1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825066361 947066225 /nfs/dbraw/zinc/06/62/25/947066225.db2.gz CBEUNZLRNRVDFS-NSHDSACASA-N -1 1 390.448 -0.235 20 0 GBADMM 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607667637 /nfs/dbraw/zinc/66/76/37/607667637.db2.gz AVXRRKGDRFLBJC-LLVKDONJSA-N -1 1 398.420 -0.079 20 0 GBADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000825146235 607667635 /nfs/dbraw/zinc/66/76/35/607667635.db2.gz AVXRRKGDRFLBJC-LLVKDONJSA-N -1 1 398.420 -0.079 20 0 GBADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000825146238 607667798 /nfs/dbraw/zinc/66/77/98/607667798.db2.gz AVXRRKGDRFLBJC-NSHDSACASA-N -1 1 398.420 -0.079 20 0 GBADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000825146238 607667796 /nfs/dbraw/zinc/66/77/96/607667796.db2.gz AVXRRKGDRFLBJC-NSHDSACASA-N -1 1 398.420 -0.079 20 0 GBADMM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000825148234 607667917 /nfs/dbraw/zinc/66/79/17/607667917.db2.gz OULITGHEVCSNDH-GFCCVEGCSA-N -1 1 398.420 -0.079 20 0 GBADMM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000825148235 607667688 /nfs/dbraw/zinc/66/76/88/607667688.db2.gz 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CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2ccnc2-c2nnn[n-]2)C1=O ZINC000825176074 608148262 /nfs/dbraw/zinc/14/82/62/608148262.db2.gz FGQVDFHHSCNMOY-KRWDZBQOSA-N -1 1 395.383 -0.048 20 0 GBADMM CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2ccnc2-c2nn[n-]n2)C1=O ZINC000825176075 608148414 /nfs/dbraw/zinc/14/84/14/608148414.db2.gz FGQVDFHHSCNMOY-QGZVFWFLSA-N -1 1 395.383 -0.048 20 0 GBADMM CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2ccnc2-c2nnn[n-]2)C1=O ZINC000825176075 608148413 /nfs/dbraw/zinc/14/84/13/608148413.db2.gz FGQVDFHHSCNMOY-QGZVFWFLSA-N -1 1 395.383 -0.048 20 0 GBADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H]1O ZINC000825202011 608364110 /nfs/dbraw/zinc/36/41/10/608364110.db2.gz JKDWEXOLECIWLV-GXSJLCMTSA-N -1 1 376.421 -0.014 20 0 GBADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H]1O ZINC000825202011 608364108 /nfs/dbraw/zinc/36/41/08/608364108.db2.gz JKDWEXOLECIWLV-GXSJLCMTSA-N -1 1 376.421 -0.014 20 0 GBADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H]1O 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378.411 -0.777 20 0 GBADMM CCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825663547 607601450 /nfs/dbraw/zinc/60/14/50/607601450.db2.gz RIPGUFWAUIYWOZ-UHFFFAOYSA-N -1 1 392.438 -0.387 20 0 GBADMM CCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825663547 607601448 /nfs/dbraw/zinc/60/14/48/607601448.db2.gz RIPGUFWAUIYWOZ-UHFFFAOYSA-N -1 1 392.438 -0.387 20 0 GBADMM CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825663601 607601662 /nfs/dbraw/zinc/60/16/62/607601662.db2.gz SCBAVWURZVBFNT-UHFFFAOYSA-N -1 1 392.438 -0.387 20 0 GBADMM CCS(=O)(=O)NCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825663693 607586750 /nfs/dbraw/zinc/58/67/50/607586750.db2.gz ULMPULHHMLMHSY-UHFFFAOYSA-N -1 1 394.866 -0.262 20 0 GBADMM CCS(=O)(=O)NCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825663693 607586748 /nfs/dbraw/zinc/58/67/48/607586748.db2.gz ULMPULHHMLMHSY-UHFFFAOYSA-N -1 1 394.866 -0.262 20 0 GBADMM CCS(=O)(=O)NCCS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000825663811 607867344 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CCc1nc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)no1 ZINC000825746055 609301885 /nfs/dbraw/zinc/30/18/85/609301885.db2.gz QXXPAOOTVUBRSV-UHFFFAOYSA-N -1 1 389.424 -0.066 20 0 GBADMM CCc1ncsc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825754593 607629253 /nfs/dbraw/zinc/62/92/53/607629253.db2.gz DXXPIHRPXHYBHI-UHFFFAOYSA-N -1 1 390.433 -0.122 20 0 GBADMM CCc1ncsc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825754593 607629252 /nfs/dbraw/zinc/62/92/52/607629252.db2.gz DXXPIHRPXHYBHI-UHFFFAOYSA-N -1 1 390.433 -0.122 20 0 GBADMM CCc1nn(C)c(OC)c1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825760435 608241679 /nfs/dbraw/zinc/24/16/79/608241679.db2.gz ZVOCIPRZDRATHG-UHFFFAOYSA-N -1 1 375.393 -0.819 20 0 GBADMM CCc1nn(CC(=O)N[C@H]2CCSC2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763324 608022733 /nfs/dbraw/zinc/02/27/33/608022733.db2.gz UFYXODCTKHTNRJ-JTQLQIEISA-N -1 1 377.430 -0.304 20 0 GBADMM CCc1nn(CC(=O)N[C@@H]2CCSC2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763325 608022772 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GBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC(=O)N1CCCCC1 ZINC000825930075 609298931 /nfs/dbraw/zinc/29/89/31/609298931.db2.gz PHFCMLWUCIGUQS-UHFFFAOYSA-N -1 1 390.452 -0.242 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC(=O)N1CCCCC1 ZINC000825930075 609298929 /nfs/dbraw/zinc/29/89/29/609298929.db2.gz PHFCMLWUCIGUQS-UHFFFAOYSA-N -1 1 390.452 -0.242 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000825930159 947375375 /nfs/dbraw/zinc/37/53/75/947375375.db2.gz QLVCVKDSKGBZTH-UHFFFAOYSA-N -1 1 399.415 -0.259 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000825930159 947375362 /nfs/dbraw/zinc/37/53/62/947375362.db2.gz QLVCVKDSKGBZTH-UHFFFAOYSA-N -1 1 399.415 -0.259 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000825930178 609304050 /nfs/dbraw/zinc/30/40/50/609304050.db2.gz REBQYQUJXJWQNF-UHFFFAOYSA-N -1 1 399.481 -0.431 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000825930178 609304049 /nfs/dbraw/zinc/30/40/49/609304049.db2.gz REBQYQUJXJWQNF-UHFFFAOYSA-N -1 1 399.481 -0.431 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000825930188 609159960 /nfs/dbraw/zinc/15/99/60/609159960.db2.gz RKPFPJJQLPWIAF-UHFFFAOYSA-N -1 1 385.392 -0.238 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000825930188 609159959 /nfs/dbraw/zinc/15/99/59/609159959.db2.gz RKPFPJJQLPWIAF-UHFFFAOYSA-N -1 1 385.392 -0.238 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CS(=O)(=O)C(C)(C)C ZINC000825930275 608555159 /nfs/dbraw/zinc/55/51/59/608555159.db2.gz ROOATYPODXBETP-UHFFFAOYSA-N -1 1 384.466 -0.224 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CS(=O)(=O)C(C)(C)C ZINC000825930275 608555158 /nfs/dbraw/zinc/55/51/58/608555158.db2.gz ROOATYPODXBETP-UHFFFAOYSA-N -1 1 384.466 -0.224 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC000825930297 947374551 /nfs/dbraw/zinc/37/45/51/947374551.db2.gz RRHFJYYGIUDXSA-SECBINFHSA-N 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CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cn1nc2ccccn2c1=O ZINC000825930348 608211421 /nfs/dbraw/zinc/21/14/21/608211421.db2.gz UEHVKDHIMHILPE-UHFFFAOYSA-N -1 1 397.403 -0.927 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cn1nc2ccccn2c1=O ZINC000825930348 608211420 /nfs/dbraw/zinc/21/14/20/608211420.db2.gz UEHVKDHIMHILPE-UHFFFAOYSA-N -1 1 397.403 -0.927 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC(=O)NCC1CC1 ZINC000825930369 609309720 /nfs/dbraw/zinc/30/97/20/609309720.db2.gz VDCXEAXZCNIAHT-UHFFFAOYSA-N -1 1 376.425 -0.728 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC(=O)NCC1CC1 ZINC000825930369 609309717 /nfs/dbraw/zinc/30/97/17/609309717.db2.gz VDCXEAXZCNIAHT-UHFFFAOYSA-N -1 1 376.425 -0.728 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCOC[C@@H]1CCOC1 ZINC000825930691 609302804 /nfs/dbraw/zinc/30/28/04/609302804.db2.gz WNYMNCFANPQMJD-LLVKDONJSA-N -1 1 393.452 -0.201 20 0 GBADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCOC[C@@H]1CCOC1 ZINC000825930691 609302802 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609400291 /nfs/dbraw/zinc/40/02/91/609400291.db2.gz KZEXBWNQLGYFLN-JTQLQIEISA-N -1 1 386.821 -0.344 20 0 GBADMM CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000826060326 609400088 /nfs/dbraw/zinc/40/00/88/609400088.db2.gz KZEXBWNQLGYFLN-SNVBAGLBSA-N -1 1 386.821 -0.344 20 0 GBADMM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826060756 608358665 /nfs/dbraw/zinc/35/86/65/608358665.db2.gz SGEAOVWLIMFPGT-JTQLQIEISA-N -1 1 389.420 -0.506 20 0 GBADMM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826060756 608358664 /nfs/dbraw/zinc/35/86/64/608358664.db2.gz SGEAOVWLIMFPGT-JTQLQIEISA-N -1 1 389.420 -0.506 20 0 GBADMM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826060757 608359355 /nfs/dbraw/zinc/35/93/55/608359355.db2.gz SGEAOVWLIMFPGT-SNVBAGLBSA-N -1 1 389.420 -0.506 20 0 GBADMM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826060757 608359353 /nfs/dbraw/zinc/35/93/53/608359353.db2.gz 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GBADMM CNC(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000826067098 608558440 /nfs/dbraw/zinc/55/84/40/608558440.db2.gz AXDDNUPCLLUMIV-UHFFFAOYSA-N -1 1 384.404 -0.369 20 0 GBADMM CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000826083049 607555999 /nfs/dbraw/zinc/55/59/99/607555999.db2.gz HFSHNDUMWMUHLT-JTQLQIEISA-N -1 1 383.434 -0.361 20 0 GBADMM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000826083050 607556313 /nfs/dbraw/zinc/55/63/13/607556313.db2.gz HFSHNDUMWMUHLT-SNVBAGLBSA-N -1 1 383.434 -0.361 20 0 GBADMM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826083079 607549421 /nfs/dbraw/zinc/54/94/21/607549421.db2.gz IBWMNUIXNLSZBF-SECBINFHSA-N -1 1 390.422 -0.682 20 0 GBADMM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826083080 607549688 /nfs/dbraw/zinc/54/96/88/607549688.db2.gz IBWMNUIXNLSZBF-VIFPVBQESA-N -1 1 390.422 -0.682 20 0 GBADMM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826083413 607549350 /nfs/dbraw/zinc/54/93/50/607549350.db2.gz LBSGCSKNKYNCEP-MRVPVSSYSA-N -1 1 390.422 -0.682 20 0 GBADMM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826083413 607549349 /nfs/dbraw/zinc/54/93/49/607549349.db2.gz LBSGCSKNKYNCEP-MRVPVSSYSA-N -1 1 390.422 -0.682 20 0 GBADMM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826083414 607549558 /nfs/dbraw/zinc/54/95/58/607549558.db2.gz LBSGCSKNKYNCEP-QMMMGPOBSA-N -1 1 390.422 -0.682 20 0 GBADMM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826083414 607549556 /nfs/dbraw/zinc/54/95/56/607549556.db2.gz LBSGCSKNKYNCEP-QMMMGPOBSA-N -1 1 390.422 -0.682 20 0 GBADMM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826083765 607550095 /nfs/dbraw/zinc/55/00/95/607550095.db2.gz PZBCUDAFXRMOBN-SECBINFHSA-N -1 1 390.422 -0.682 20 0 GBADMM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826083766 607549968 /nfs/dbraw/zinc/54/99/68/607549968.db2.gz PZBCUDAFXRMOBN-VIFPVBQESA-N -1 1 390.422 -0.682 20 0 GBADMM CNS(=O)(=O)CCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826090080 947424791 /nfs/dbraw/zinc/42/47/91/947424791.db2.gz CFIDWKITRLLSEY-UHFFFAOYSA-N -1 1 386.390 -0.502 20 0 GBADMM CNS(=O)(=O)c1cc(NC(=O)Cn2ccnc2-c2nn[n-]n2)ccc1C ZINC000826090337 608894393 /nfs/dbraw/zinc/89/43/93/608894393.db2.gz GEXWSTAEGIUNOO-UHFFFAOYSA-N -1 1 376.402 -0.082 20 0 GBADMM CNS(=O)(=O)c1cc(NC(=O)Cn2ccnc2-c2nnn[n-]2)ccc1C ZINC000826090337 608894392 /nfs/dbraw/zinc/89/43/92/608894392.db2.gz GEXWSTAEGIUNOO-UHFFFAOYSA-N -1 1 376.402 -0.082 20 0 GBADMM CNS(=O)(=O)c1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)s1 ZINC000826090560 947424457 /nfs/dbraw/zinc/42/44/57/947424457.db2.gz IWLVHMUIZPAVOB-UHFFFAOYSA-N -1 1 397.442 -0.008 20 0 GBADMM CNS(=O)(=O)c1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)s1 ZINC000826090560 947424447 /nfs/dbraw/zinc/42/44/47/947424447.db2.gz IWLVHMUIZPAVOB-UHFFFAOYSA-N -1 1 397.442 -0.008 20 0 GBADMM CNS(=O)(=O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826090577 609312684 /nfs/dbraw/zinc/31/26/84/609312684.db2.gz JEZGTDKJBGEQST-UHFFFAOYSA-N -1 1 380.365 -0.321 20 0 GBADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)co1 ZINC000826090697 607881887 /nfs/dbraw/zinc/88/18/87/607881887.db2.gz LHGPRFCWZCMWNJ-UHFFFAOYSA-N -1 1 392.401 -0.395 20 0 GBADMM CNS(=O)(=O)c1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826091170 947427350 /nfs/dbraw/zinc/42/73/50/947427350.db2.gz XPKVFVDEASZSAL-UHFFFAOYSA-N -1 1 391.413 -0.070 20 0 GBADMM CNS(=O)(=O)c1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826091170 947427342 /nfs/dbraw/zinc/42/73/42/947427342.db2.gz XPKVFVDEASZSAL-UHFFFAOYSA-N -1 1 391.413 -0.070 20 0 GBADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCn2ncc(-c3nn[nH]n3)c2N)co1 ZINC000826091187 607923871 /nfs/dbraw/zinc/92/38/71/607923871.db2.gz YDYNEMACIGAVQR-UHFFFAOYSA-N -1 1 382.362 -0.997 20 0 GBADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNc2ncccc2-c2nn[nH]n2)co1 ZINC000826091219 607886323 /nfs/dbraw/zinc/88/63/23/607886323.db2.gz ZIVSJKSMQKFLMJ-UHFFFAOYSA-N -1 1 392.401 -0.395 20 0 GBADMM COC(=O)C(C)(C)[C@H]1CCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000826098314 608237930 /nfs/dbraw/zinc/23/79/30/608237930.db2.gz ABQUATMNXQTHJW-JTQLQIEISA-N -1 1 391.432 -0.320 20 0 GBADMM COC(=O)C(C)(C)[C@@H]1CCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000826098315 608238061 /nfs/dbraw/zinc/23/80/61/608238061.db2.gz ABQUATMNXQTHJW-SNVBAGLBSA-N -1 1 391.432 -0.320 20 0 GBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000826101930 603758976 /nfs/dbraw/zinc/75/89/76/603758976.db2.gz RJEJSLRYYKXWHB-KKUMJFAQSA-N -1 1 384.477 -0.035 20 0 GBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000826101931 603758915 /nfs/dbraw/zinc/75/89/15/603758915.db2.gz RJEJSLRYYKXWHB-RRFJBIMHSA-N -1 1 384.477 -0.035 20 0 GBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000826101932 603758806 /nfs/dbraw/zinc/75/88/06/603758806.db2.gz RJEJSLRYYKXWHB-SOUVJXGZSA-N -1 1 384.477 -0.035 20 0 GBADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000826101933 603758948 /nfs/dbraw/zinc/75/89/48/603758948.db2.gz RJEJSLRYYKXWHB-ZNMIVQPWSA-N -1 1 384.477 -0.035 20 0 GBADMM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826103040 947427139 /nfs/dbraw/zinc/42/71/39/947427139.db2.gz CDGULSHALDCTMV-MRVPVSSYSA-N -1 1 378.393 -0.318 20 0 GBADMM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826103040 947427134 /nfs/dbraw/zinc/42/71/34/947427134.db2.gz CDGULSHALDCTMV-MRVPVSSYSA-N -1 1 378.393 -0.318 20 0 GBADMM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826103042 947426978 /nfs/dbraw/zinc/42/69/78/947426978.db2.gz CDGULSHALDCTMV-QMMMGPOBSA-N -1 1 378.393 -0.318 20 0 GBADMM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826103042 947426971 /nfs/dbraw/zinc/42/69/71/947426971.db2.gz CDGULSHALDCTMV-QMMMGPOBSA-N -1 1 378.393 -0.318 20 0 GBADMM COC(=O)[C@@H](CO)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826103098 609294514 /nfs/dbraw/zinc/29/45/14/609294514.db2.gz CJLHBTIQADXLKW-GFCCVEGCSA-N -1 1 388.388 -0.891 20 0 GBADMM COC(=O)[C@@H](CO)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826103098 609294513 /nfs/dbraw/zinc/29/45/13/609294513.db2.gz CJLHBTIQADXLKW-GFCCVEGCSA-N -1 1 388.388 -0.891 20 0 GBADMM COC(=O)[C@H](CO)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826103099 609294760 /nfs/dbraw/zinc/29/47/60/609294760.db2.gz CJLHBTIQADXLKW-LBPRGKRZSA-N -1 1 388.388 -0.891 20 0 GBADMM COC(=O)[C@H](CO)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826103099 609294758 /nfs/dbraw/zinc/29/47/58/609294758.db2.gz CJLHBTIQADXLKW-LBPRGKRZSA-N -1 1 388.388 -0.891 20 0 GBADMM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826103406 608565684 /nfs/dbraw/zinc/56/56/84/608565684.db2.gz GCRSKNWVNKYXIR-MRVPVSSYSA-N -1 1 395.319 -0.302 20 0 GBADMM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826103407 608565517 /nfs/dbraw/zinc/56/55/17/608565517.db2.gz GCRSKNWVNKYXIR-QMMMGPOBSA-N -1 1 395.319 -0.302 20 0 GBADMM COC(=O)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Oc1ccc(F)cc1 ZINC000826104208 608007203 /nfs/dbraw/zinc/00/72/03/608007203.db2.gz RTQKNUHCGNNNPQ-LLVKDONJSA-N -1 1 390.335 -0.666 20 0 GBADMM COC(=O)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Oc1ccc(F)cc1 ZINC000826104209 608006994 /nfs/dbraw/zinc/00/69/94/608006994.db2.gz RTQKNUHCGNNNPQ-NSHDSACASA-N -1 1 390.335 -0.666 20 0 GBADMM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826116553 607678231 /nfs/dbraw/zinc/67/82/31/607678231.db2.gz ASEKLHJAAZUKGT-GFCCVEGCSA-N -1 1 382.402 -0.804 20 0 GBADMM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826116553 607678229 /nfs/dbraw/zinc/67/82/29/607678229.db2.gz ASEKLHJAAZUKGT-GFCCVEGCSA-N -1 1 382.402 -0.804 20 0 GBADMM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826116558 607678115 /nfs/dbraw/zinc/67/81/15/607678115.db2.gz ASEKLHJAAZUKGT-LBPRGKRZSA-N -1 1 382.402 -0.804 20 0 GBADMM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826116558 607678114 /nfs/dbraw/zinc/67/81/14/607678114.db2.gz ASEKLHJAAZUKGT-LBPRGKRZSA-N -1 1 382.402 -0.804 20 0 GBADMM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826117374 607678830 /nfs/dbraw/zinc/67/88/30/607678830.db2.gz KKTSEEDFHCTMJY-CYBMUJFWSA-N -1 1 399.404 -0.060 20 0 GBADMM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826117375 607679101 /nfs/dbraw/zinc/67/91/01/607679101.db2.gz KKTSEEDFHCTMJY-ZDUSSCGKSA-N -1 1 399.404 -0.060 20 0 GBADMM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826117942 607679015 /nfs/dbraw/zinc/67/90/15/607679015.db2.gz VVSOAPPWQSTWQJ-CYBMUJFWSA-N -1 1 399.404 -0.060 20 0 GBADMM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826117943 607678795 /nfs/dbraw/zinc/67/87/95/607678795.db2.gz 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COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826129256 609328977 /nfs/dbraw/zinc/32/89/77/609328977.db2.gz NQCOOMITWDTOHF-BXKDBHETSA-N -1 1 382.402 -0.397 20 0 GBADMM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826129256 609328976 /nfs/dbraw/zinc/32/89/76/609328976.db2.gz NQCOOMITWDTOHF-BXKDBHETSA-N -1 1 382.402 -0.397 20 0 GBADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826129257 609328960 /nfs/dbraw/zinc/32/89/60/609328960.db2.gz NQCOOMITWDTOHF-CABZTGNLSA-N -1 1 382.402 -0.397 20 0 GBADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826129257 609328959 /nfs/dbraw/zinc/32/89/59/609328959.db2.gz NQCOOMITWDTOHF-CABZTGNLSA-N -1 1 382.402 -0.397 20 0 GBADMM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826129258 609329103 /nfs/dbraw/zinc/32/91/03/609329103.db2.gz NQCOOMITWDTOHF-JOYOIKCWSA-N -1 1 382.402 -0.397 20 0 GBADMM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 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/nfs/dbraw/zinc/33/37/92/609333792.db2.gz MXTQQCZHBSOOAM-QMMMGPOBSA-N -1 1 375.794 -0.014 20 0 GBADMM COC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC000826151959 609333790 /nfs/dbraw/zinc/33/37/90/609333790.db2.gz MXTQQCZHBSOOAM-QMMMGPOBSA-N -1 1 375.794 -0.014 20 0 GBADMM COC[C@@H](O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826152046 608252843 /nfs/dbraw/zinc/25/28/43/608252843.db2.gz PBFGMODFDMNXHK-GFCCVEGCSA-N -1 1 387.356 -0.459 20 0 GBADMM COC[C@@H](O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826152046 608252841 /nfs/dbraw/zinc/25/28/41/608252841.db2.gz PBFGMODFDMNXHK-GFCCVEGCSA-N -1 1 387.356 -0.459 20 0 GBADMM COC[C@H](O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826152047 608252662 /nfs/dbraw/zinc/25/26/62/608252662.db2.gz PBFGMODFDMNXHK-LBPRGKRZSA-N -1 1 387.356 -0.459 20 0 GBADMM COC[C@H](O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826152047 608252661 /nfs/dbraw/zinc/25/26/61/608252661.db2.gz PBFGMODFDMNXHK-LBPRGKRZSA-N -1 1 387.356 -0.459 20 0 GBADMM COC[C@H](O)CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826152446 608245745 /nfs/dbraw/zinc/24/57/45/608245745.db2.gz ZGDFTHNAXJSKGN-GFCCVEGCSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@H](O)CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826152446 608245743 /nfs/dbraw/zinc/24/57/43/608245743.db2.gz ZGDFTHNAXJSKGN-GFCCVEGCSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@@H](O)CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826152447 608246018 /nfs/dbraw/zinc/24/60/18/608246018.db2.gz ZGDFTHNAXJSKGN-LBPRGKRZSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@@H](O)CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826152447 608246016 /nfs/dbraw/zinc/24/60/16/608246016.db2.gz ZGDFTHNAXJSKGN-LBPRGKRZSA-N -1 1 388.432 -0.028 20 0 GBADMM COC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000826153357 608355597 /nfs/dbraw/zinc/35/55/97/608355597.db2.gz LDUYMYMUYUAKQI-JTQLQIEISA-N -1 1 392.420 -0.370 20 0 GBADMM COC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000826153357 608355594 /nfs/dbraw/zinc/35/55/94/608355594.db2.gz LDUYMYMUYUAKQI-JTQLQIEISA-N -1 1 392.420 -0.370 20 0 GBADMM COC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000826153358 608355340 /nfs/dbraw/zinc/35/53/40/608355340.db2.gz LDUYMYMUYUAKQI-SNVBAGLBSA-N -1 1 392.420 -0.370 20 0 GBADMM COC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000826153358 608355338 /nfs/dbraw/zinc/35/53/38/608355338.db2.gz LDUYMYMUYUAKQI-SNVBAGLBSA-N -1 1 392.420 -0.370 20 0 GBADMM COCC[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826153616 947485162 /nfs/dbraw/zinc/48/51/62/947485162.db2.gz UXLSIQMTMRXULG-INIZCTEOSA-N -1 1 394.436 -0.340 20 0 GBADMM COCC[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826153616 947485153 /nfs/dbraw/zinc/48/51/53/947485153.db2.gz UXLSIQMTMRXULG-INIZCTEOSA-N -1 1 394.436 -0.340 20 0 GBADMM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826153617 947486850 /nfs/dbraw/zinc/48/68/50/947486850.db2.gz UXLSIQMTMRXULG-MRXNPFEDSA-N -1 1 394.436 -0.340 20 0 GBADMM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826153617 947486844 /nfs/dbraw/zinc/48/68/44/947486844.db2.gz UXLSIQMTMRXULG-MRXNPFEDSA-N -1 1 394.436 -0.340 20 0 GBADMM COCC[C@@H](Cc1ccco1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826154743 609590673 /nfs/dbraw/zinc/59/06/73/609590673.db2.gz WYBLEGRKUXVZFS-JTQLQIEISA-N -1 1 375.389 -0.083 20 0 GBADMM COCC[C@H](Cc1ccco1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826154744 609590483 /nfs/dbraw/zinc/59/04/83/609590483.db2.gz WYBLEGRKUXVZFS-SNVBAGLBSA-N -1 1 375.389 -0.083 20 0 GBADMM COCCCNC(=O)[C@H](C)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826156138 607494568 /nfs/dbraw/zinc/49/45/68/607494568.db2.gz RCHOTPQUFSMNDV-AWEZNQCLSA-N -1 1 388.476 -0.080 20 0 GBADMM COCCCNC(=O)[C@@H](C)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826156139 607494263 /nfs/dbraw/zinc/49/42/63/607494263.db2.gz RCHOTPQUFSMNDV-CQSZACIVSA-N -1 1 388.476 -0.080 20 0 GBADMM COCCCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000826156152 947490979 /nfs/dbraw/zinc/49/09/79/947490979.db2.gz RLMRHSPZFFQOMI-LLVKDONJSA-N -1 1 398.445 -0.242 20 0 GBADMM COCCCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000826156152 947490977 /nfs/dbraw/zinc/49/09/77/947490977.db2.gz RLMRHSPZFFQOMI-LLVKDONJSA-N -1 1 398.445 -0.242 20 0 GBADMM COCCCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000826156153 947490441 /nfs/dbraw/zinc/49/04/41/947490441.db2.gz RLMRHSPZFFQOMI-NSHDSACASA-N -1 1 398.445 -0.242 20 0 GBADMM COCCCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000826156153 947490432 /nfs/dbraw/zinc/49/04/32/947490432.db2.gz RLMRHSPZFFQOMI-NSHDSACASA-N -1 1 398.445 -0.242 20 0 GBADMM COCCCNC(=O)[C@@H](C)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826156268 608414155 /nfs/dbraw/zinc/41/41/55/608414155.db2.gz WCJZXLPUIISARL-GFCCVEGCSA-N -1 1 375.437 -0.680 20 0 GBADMM COCCCNC(=O)[C@@H](C)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826156268 608414153 /nfs/dbraw/zinc/41/41/53/608414153.db2.gz WCJZXLPUIISARL-GFCCVEGCSA-N -1 1 375.437 -0.680 20 0 GBADMM COCCCNC(=O)[C@H](C)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826156269 608414040 /nfs/dbraw/zinc/41/40/40/608414040.db2.gz WCJZXLPUIISARL-LBPRGKRZSA-N -1 1 375.437 -0.680 20 0 GBADMM COCCCNC(=O)[C@H](C)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826156269 608414039 /nfs/dbraw/zinc/41/40/39/608414039.db2.gz WCJZXLPUIISARL-LBPRGKRZSA-N -1 1 375.437 -0.680 20 0 GBADMM COCCCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826156510 947492397 /nfs/dbraw/zinc/49/23/97/947492397.db2.gz HAOFNMDCCDGZIF-GFCCVEGCSA-N -1 1 376.421 -0.253 20 0 GBADMM COCCCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826156510 947492386 /nfs/dbraw/zinc/49/23/86/947492386.db2.gz HAOFNMDCCDGZIF-GFCCVEGCSA-N -1 1 376.421 -0.253 20 0 GBADMM COCCCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826156511 947490645 /nfs/dbraw/zinc/49/06/45/947490645.db2.gz HAOFNMDCCDGZIF-LBPRGKRZSA-N -1 1 376.421 -0.253 20 0 GBADMM COCCCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826156511 947490637 /nfs/dbraw/zinc/49/06/37/947490637.db2.gz HAOFNMDCCDGZIF-LBPRGKRZSA-N -1 1 376.421 -0.253 20 0 GBADMM COCCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000826156969 608337727 /nfs/dbraw/zinc/33/77/27/608337727.db2.gz BRYZOUIQVBJWEL-SECBINFHSA-N -1 1 384.422 -0.732 20 0 GBADMM COCCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000826156969 608337726 /nfs/dbraw/zinc/33/77/26/608337726.db2.gz BRYZOUIQVBJWEL-SECBINFHSA-N -1 1 384.422 -0.732 20 0 GBADMM COCCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000826156970 608337965 /nfs/dbraw/zinc/33/79/65/608337965.db2.gz BRYZOUIQVBJWEL-VIFPVBQESA-N -1 1 384.422 -0.732 20 0 GBADMM COCCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000826156970 608337964 /nfs/dbraw/zinc/33/79/64/608337964.db2.gz BRYZOUIQVBJWEL-VIFPVBQESA-N -1 1 384.422 -0.732 20 0 GBADMM COCCCS(=O)(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826157245 607517666 /nfs/dbraw/zinc/51/76/66/607517666.db2.gz MSLARMPMXUSQKS-UHFFFAOYSA-N -1 1 381.462 -0.254 20 0 GBADMM COCCCS(=O)(=O)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826157245 607517665 /nfs/dbraw/zinc/51/76/65/607517665.db2.gz MSLARMPMXUSQKS-UHFFFAOYSA-N -1 1 381.462 -0.254 20 0 GBADMM COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826157748 607587598 /nfs/dbraw/zinc/58/75/98/607587598.db2.gz JTLAQXCUKFOWJO-UHFFFAOYSA-N -1 1 386.409 -0.269 20 0 GBADMM COCCN(CC(=O)OC(C)(C)C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826157847 608292669 /nfs/dbraw/zinc/29/26/69/608292669.db2.gz OLJIUPACFWFCRK-UHFFFAOYSA-N -1 1 395.420 -0.941 20 0 GBADMM COCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826157884 607587369 /nfs/dbraw/zinc/58/73/69/607587369.db2.gz PXDBOEMOIVZPKB-UHFFFAOYSA-N -1 1 386.409 -0.269 20 0 GBADMM COCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826157884 607587368 /nfs/dbraw/zinc/58/73/68/607587368.db2.gz PXDBOEMOIVZPKB-UHFFFAOYSA-N -1 1 386.409 -0.269 20 0 GBADMM COCCN(CC(=O)OC)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826158069 608204391 /nfs/dbraw/zinc/20/43/91/608204391.db2.gz YRRLOCOORFZZMM-UHFFFAOYSA-N -1 1 382.402 -0.049 20 0 GBADMM COCCN(CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000826158549 608490265 /nfs/dbraw/zinc/49/02/65/608490265.db2.gz UAWVFANRTVTWRS-UHFFFAOYSA-N -1 1 395.424 -0.542 20 0 GBADMM COCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000826159328 608564012 /nfs/dbraw/zinc/56/40/12/608564012.db2.gz BFBBMFFMCAAZLD-UHFFFAOYSA-N -1 1 384.393 -0.515 20 0 GBADMM COCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1=O ZINC000826159503 608600555 /nfs/dbraw/zinc/60/05/55/608600555.db2.gz ILMBURNEFKNBKN-UHFFFAOYSA-N -1 1 393.429 -0.380 20 0 GBADMM COCCN1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1=O ZINC000826159667 608588697 /nfs/dbraw/zinc/58/86/97/608588697.db2.gz NFFPHEIPRIAEEW-UHFFFAOYSA-N -1 1 377.405 -0.194 20 0 GBADMM COCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1=O ZINC000826159703 608563742 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391.436 -0.942 20 0 GBADMM COCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1=O ZINC000826159817 608564071 /nfs/dbraw/zinc/56/40/71/608564071.db2.gz TXFBHBWWXVVAEV-UHFFFAOYSA-N -1 1 384.393 -0.515 20 0 GBADMM COCCOC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826160096 608355160 /nfs/dbraw/zinc/35/51/60/608355160.db2.gz FKFUUSYYXZYTHL-JTQLQIEISA-N -1 1 394.436 -0.076 20 0 GBADMM COCCOC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826160096 608355159 /nfs/dbraw/zinc/35/51/59/608355159.db2.gz FKFUUSYYXZYTHL-JTQLQIEISA-N -1 1 394.436 -0.076 20 0 GBADMM COCCOC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826160097 608355478 /nfs/dbraw/zinc/35/54/78/608355478.db2.gz FKFUUSYYXZYTHL-SNVBAGLBSA-N -1 1 394.436 -0.076 20 0 GBADMM COCCOC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826160097 608355475 /nfs/dbraw/zinc/35/54/75/608355475.db2.gz FKFUUSYYXZYTHL-SNVBAGLBSA-N -1 1 394.436 -0.076 20 0 GBADMM COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 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CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826222058 607689272 /nfs/dbraw/zinc/68/92/72/607689272.db2.gz GMZFYSYCRHCYSX-JTQLQIEISA-N -1 1 390.472 -0.630 20 0 GBADMM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826222058 607689270 /nfs/dbraw/zinc/68/92/70/607689270.db2.gz GMZFYSYCRHCYSX-JTQLQIEISA-N -1 1 390.472 -0.630 20 0 GBADMM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826222059 607689247 /nfs/dbraw/zinc/68/92/47/607689247.db2.gz GMZFYSYCRHCYSX-SNVBAGLBSA-N -1 1 390.472 -0.630 20 0 GBADMM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826222059 607689245 /nfs/dbraw/zinc/68/92/45/607689245.db2.gz GMZFYSYCRHCYSX-SNVBAGLBSA-N -1 1 390.472 -0.630 20 0 GBADMM COc1ncnc(OC)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826222501 608557454 /nfs/dbraw/zinc/55/74/54/608557454.db2.gz ZBQLNNDRCQPFJW-UHFFFAOYSA-N -1 1 388.392 -0.316 20 0 GBADMM COc1ncnc(OC)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826222501 608557453 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CS(=O)(=O)NCCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826223573 607583789 /nfs/dbraw/zinc/58/37/89/607583789.db2.gz RSRKPNSVDYILLR-UHFFFAOYSA-N -1 1 378.411 -0.777 20 0 GBADMM CS(=O)(=O)NCCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826223573 607583788 /nfs/dbraw/zinc/58/37/88/607583788.db2.gz RSRKPNSVDYILLR-UHFFFAOYSA-N -1 1 378.411 -0.777 20 0 GBADMM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826223595 607584095 /nfs/dbraw/zinc/58/40/95/607584095.db2.gz SNFFIZJWSTZWTI-UHFFFAOYSA-N -1 1 378.411 -0.777 20 0 GBADMM CS(=O)(=O)NCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826223717 607582220 /nfs/dbraw/zinc/58/22/20/607582220.db2.gz XFCAMMUIYNUSSK-UHFFFAOYSA-N -1 1 380.839 -0.652 20 0 GBADMM CS(=O)(=O)NCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826223717 607582217 /nfs/dbraw/zinc/58/22/17/607582217.db2.gz XFCAMMUIYNUSSK-UHFFFAOYSA-N -1 1 380.839 -0.652 20 0 GBADMM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826225757 608357452 /nfs/dbraw/zinc/35/74/52/608357452.db2.gz KFLUBTTXPZZZSX-PSASIEDQSA-N -1 1 396.477 -0.015 20 0 GBADMM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826225757 608357450 /nfs/dbraw/zinc/35/74/50/608357450.db2.gz KFLUBTTXPZZZSX-PSASIEDQSA-N -1 1 396.477 -0.015 20 0 GBADMM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826225758 608357445 /nfs/dbraw/zinc/35/74/45/608357445.db2.gz KFLUBTTXPZZZSX-SCZZXKLOSA-N -1 1 396.477 -0.015 20 0 GBADMM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826225758 608357444 /nfs/dbraw/zinc/35/74/44/608357444.db2.gz KFLUBTTXPZZZSX-SCZZXKLOSA-N -1 1 396.477 -0.015 20 0 GBADMM CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826225759 608357067 /nfs/dbraw/zinc/35/70/67/608357067.db2.gz KFLUBTTXPZZZSX-WCBMZHEXSA-N -1 1 396.477 -0.015 20 0 GBADMM CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826225759 608357066 /nfs/dbraw/zinc/35/70/66/608357066.db2.gz KFLUBTTXPZZZSX-WCBMZHEXSA-N -1 1 396.477 -0.015 20 0 GBADMM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826225760 608357294 /nfs/dbraw/zinc/35/72/94/608357294.db2.gz KFLUBTTXPZZZSX-WPRPVWTQSA-N -1 1 396.477 -0.015 20 0 GBADMM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826225760 608357293 /nfs/dbraw/zinc/35/72/93/608357293.db2.gz KFLUBTTXPZZZSX-WPRPVWTQSA-N -1 1 396.477 -0.015 20 0 GBADMM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826226642 608355259 /nfs/dbraw/zinc/35/52/59/608355259.db2.gz DGBZAWXBZKUGLY-HNNXBMFYSA-N -1 1 396.477 -0.013 20 0 GBADMM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826226642 608355257 /nfs/dbraw/zinc/35/52/57/608355257.db2.gz DGBZAWXBZKUGLY-HNNXBMFYSA-N -1 1 396.477 -0.013 20 0 GBADMM CSC[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826226643 608355560 /nfs/dbraw/zinc/35/55/60/608355560.db2.gz DGBZAWXBZKUGLY-OAHLLOKOSA-N -1 1 396.477 -0.013 20 0 GBADMM CSC[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826226643 608355558 /nfs/dbraw/zinc/35/55/58/608355558.db2.gz DGBZAWXBZKUGLY-OAHLLOKOSA-N -1 1 396.477 -0.013 20 0 GBADMM CSC[C@@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228359 608357474 /nfs/dbraw/zinc/35/74/74/608357474.db2.gz MOOSTYSROQGYIR-SECBINFHSA-N -1 1 396.477 -0.013 20 0 GBADMM CSC[C@@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228359 608357472 /nfs/dbraw/zinc/35/74/72/608357472.db2.gz MOOSTYSROQGYIR-SECBINFHSA-N -1 1 396.477 -0.013 20 0 GBADMM CSC[C@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228360 608357335 /nfs/dbraw/zinc/35/73/35/608357335.db2.gz MOOSTYSROQGYIR-VIFPVBQESA-N -1 1 396.477 -0.013 20 0 GBADMM CSC[C@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228360 608357334 /nfs/dbraw/zinc/35/73/34/608357334.db2.gz MOOSTYSROQGYIR-VIFPVBQESA-N -1 1 396.477 -0.013 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)NCCNC(=O)c2ccn[nH]2)cc1-c1nn[n-]n1 ZINC000826229941 609176350 /nfs/dbraw/zinc/17/63/50/609176350.db2.gz XKUYYDUOBMTRNS-UHFFFAOYSA-N -1 1 389.401 -0.428 20 0 GBADMM CSc1nc(C2CC2)cc(C(=O)NCC(=O)NCCO)c1-c1nn[n-]n1 ZINC000826231352 607512241 /nfs/dbraw/zinc/51/22/41/607512241.db2.gz HUVAQYOVVGQJTL-UHFFFAOYSA-N -1 1 377.430 -0.301 20 0 GBADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(=O)N(C)C ZINC000826231917 608357464 /nfs/dbraw/zinc/35/74/64/608357464.db2.gz OXMDUBBTOQMOIN-MRVPVSSYSA-N -1 1 377.409 -0.650 20 0 GBADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(=O)N(C)C ZINC000826231917 608357462 /nfs/dbraw/zinc/35/74/62/608357462.db2.gz OXMDUBBTOQMOIN-MRVPVSSYSA-N -1 1 377.409 -0.650 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(=O)N1CCOCC1 ZINC000826232632 947682227 /nfs/dbraw/zinc/68/22/27/947682227.db2.gz AYMQKVAMAMVTPM-UHFFFAOYSA-N -1 1 389.416 -0.508 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCN1CCOCC1=O ZINC000826232660 608147034 /nfs/dbraw/zinc/14/70/34/608147034.db2.gz BVWWPAXSSYGSRU-UHFFFAOYSA-N -1 1 390.400 -0.081 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCNC(=O)N(C)C ZINC000826232731 608213565 /nfs/dbraw/zinc/21/35/65/608213565.db2.gz GFTKOIHPLDHLNK-UHFFFAOYSA-N -1 1 376.421 -0.096 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN(C(=O)CO)CC1 ZINC000826232827 608015771 /nfs/dbraw/zinc/01/57/71/608015771.db2.gz KCWTUBZIROZOGS-UHFFFAOYSA-N -1 1 389.416 -0.820 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN1CCNC(=O)C1 ZINC000826232946 609288824 /nfs/dbraw/zinc/28/88/24/609288824.db2.gz OAFYXXIENDLZNW-UHFFFAOYSA-N -1 1 388.432 -0.935 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000826233205 609176284 /nfs/dbraw/zinc/17/62/84/609176284.db2.gz XWMTYNRVLIGDLH-UHFFFAOYSA-N -1 1 399.415 -0.214 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H]1CN2CCN1CC2 ZINC000826233207 607588125 /nfs/dbraw/zinc/58/81/25/607588125.db2.gz XYARUGSOSCEKMC-CYBMUJFWSA-N -1 1 386.460 -0.367 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H]1CN2CCN1CC2 ZINC000826233208 607587821 /nfs/dbraw/zinc/58/78/21/607587821.db2.gz XYARUGSOSCEKMC-ZDUSSCGKSA-N -1 1 386.460 -0.367 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CC(C)(CO)CO ZINC000826233221 608015309 /nfs/dbraw/zinc/01/53/09/608015309.db2.gz YLNRMCHBJCVAHR-UHFFFAOYSA-N -1 1 378.433 -0.034 20 0 GBADMM Cc1c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000826234866 607443224 /nfs/dbraw/zinc/44/32/24/607443224.db2.gz RLABBDKBJWDXMY-UHFFFAOYSA-N -1 1 396.371 -0.893 20 0 GBADMM Cc1c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000826234866 607443222 /nfs/dbraw/zinc/44/32/22/607443222.db2.gz RLABBDKBJWDXMY-UHFFFAOYSA-N -1 1 396.371 -0.893 20 0 GBADMM Cc1cc(N2CC[C@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000826269388 947778123 /nfs/dbraw/zinc/77/81/23/947778123.db2.gz KEVLOAMUPSUJGI-JTQLQIEISA-N -1 1 385.388 -0.331 20 0 GBADMM Cc1cc(N2CC[C@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000826269388 947778117 /nfs/dbraw/zinc/77/81/17/947778117.db2.gz KEVLOAMUPSUJGI-JTQLQIEISA-N -1 1 385.388 -0.331 20 0 GBADMM Cc1cc(N2CC[C@@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000826269389 947776951 /nfs/dbraw/zinc/77/69/51/947776951.db2.gz KEVLOAMUPSUJGI-SNVBAGLBSA-N -1 1 385.388 -0.331 20 0 GBADMM Cc1cc(N2CC[C@@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000826269389 947776942 /nfs/dbraw/zinc/77/69/42/947776942.db2.gz KEVLOAMUPSUJGI-SNVBAGLBSA-N -1 1 385.388 -0.331 20 0 GBADMM Cc1cc(NC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)n(C(C)(C)C)n1 ZINC000826270330 608095829 /nfs/dbraw/zinc/09/58/29/608095829.db2.gz VRIQKFOZVWSYDZ-UHFFFAOYSA-N -1 1 387.404 -0.374 20 0 GBADMM Cc1cc(O)cc(=O)n1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826272048 608559499 /nfs/dbraw/zinc/55/94/99/608559499.db2.gz RUSPMRXPCLZRSX-UHFFFAOYSA-N -1 1 387.404 -0.561 20 0 GBADMM Cc1cc(O)cc(=O)n1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826272048 608559498 /nfs/dbraw/zinc/55/94/98/608559498.db2.gz RUSPMRXPCLZRSX-UHFFFAOYSA-N -1 1 387.404 -0.561 20 0 GBADMM Cc1cc(S(N)(=O)=O)cc(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1C ZINC000826272539 608013483 /nfs/dbraw/zinc/01/34/83/608013483.db2.gz OUYCWNDVWCHIDN-UHFFFAOYSA-N -1 1 376.402 -0.034 20 0 GBADMM Cc1cc(S(N)(=O)=O)cc(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1C ZINC000826272539 608013482 /nfs/dbraw/zinc/01/34/82/608013482.db2.gz OUYCWNDVWCHIDN-UHFFFAOYSA-N -1 1 376.402 -0.034 20 0 GBADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000826280442 608542529 /nfs/dbraw/zinc/54/25/29/608542529.db2.gz BSSLFYMJWZPJTR-UHFFFAOYSA-N -1 1 386.416 -0.922 20 0 GBADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000826280442 608542528 /nfs/dbraw/zinc/54/25/28/608542528.db2.gz BSSLFYMJWZPJTR-UHFFFAOYSA-N -1 1 386.416 -0.922 20 0 GBADMM Cc1ccc(CN(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)C2CC2)o1 ZINC000826287258 608096579 /nfs/dbraw/zinc/09/65/79/608096579.db2.gz IUOORCSXCWGDPN-UHFFFAOYSA-N -1 1 385.384 -0.180 20 0 GBADMM Cc1ccc(N2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000826290131 609594448 /nfs/dbraw/zinc/59/44/48/609594448.db2.gz BWHHILHMBXMHOX-UHFFFAOYSA-N -1 1 382.428 -0.101 20 0 GBADMM Cc1ccc(S(=O)(=O)CCCn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1 ZINC000826292856 608396362 /nfs/dbraw/zinc/39/63/62/608396362.db2.gz ORUQJEQPRPIOIA-UHFFFAOYSA-N -1 1 390.425 -0.100 20 0 GBADMM Cc1cccc(-n2cc(C(=O)Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)nn2)c1 ZINC000826295549 608095781 /nfs/dbraw/zinc/09/57/81/608095781.db2.gz MGEHZQUHYWMWPS-UHFFFAOYSA-N -1 1 393.367 -0.501 20 0 GBADMM Cc1cccc(C)c1-n1nnnc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826296854 608096501 /nfs/dbraw/zinc/09/65/01/608096501.db2.gz LTEFOUVSFADDIM-UHFFFAOYSA-N -1 1 380.372 -0.632 20 0 GBADMM Cc1cccc(C)c1OCCNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826296955 608096594 /nfs/dbraw/zinc/09/65/94/608096594.db2.gz PTBFSVDLQAZXKB-UHFFFAOYSA-N -1 1 399.411 -0.461 20 0 GBADMM Cc1cccc(OCCCNC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c1 ZINC000826299915 608096615 /nfs/dbraw/zinc/09/66/15/608096615.db2.gz AWLBLIMWSPUNAG-UHFFFAOYSA-N -1 1 399.411 -0.379 20 0 GBADMM Cc1ccccc1C[C@@H](C)NC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826306901 608095978 /nfs/dbraw/zinc/09/59/78/608095978.db2.gz PGMCZLIKEMRAEQ-GFCCVEGCSA-N -1 1 383.412 -0.217 20 0 GBADMM Cc1ccccc1C[C@H](C)NC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826306902 608095981 /nfs/dbraw/zinc/09/59/81/608095981.db2.gz PGMCZLIKEMRAEQ-LBPRGKRZSA-N -1 1 383.412 -0.217 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000826322876 609281696 /nfs/dbraw/zinc/28/16/96/609281696.db2.gz FRCKZGZAEFBMAR-TXEJJXNPSA-N -1 1 390.448 -0.079 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)c3ccnnc3)CC2)o1 ZINC000826322999 947945253 /nfs/dbraw/zinc/94/52/53/947945253.db2.gz LLQPLQUDFXVBBW-UHFFFAOYSA-N -1 1 399.371 -0.541 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@H]3CCCO3)CC2)o1 ZINC000826323033 607917719 /nfs/dbraw/zinc/91/77/19/607917719.db2.gz MVYAEIIQWIPUFF-LLVKDONJSA-N -1 1 391.388 -0.466 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCO3)CC2)o1 ZINC000826323034 608117780 /nfs/dbraw/zinc/11/77/80/608117780.db2.gz MVYAEIIQWIPUFF-NSHDSACASA-N -1 1 391.388 -0.466 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3(C)COC3)CC2)o1 ZINC000826323049 947945315 /nfs/dbraw/zinc/94/53/15/947945315.db2.gz NTGQVLAANNELIR-UHFFFAOYSA-N -1 1 391.388 -0.609 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3CC(=O)C3)CC2)o1 ZINC000826323061 608766841 /nfs/dbraw/zinc/76/68/41/608766841.db2.gz OCHDZBIQPUGPMY-UHFFFAOYSA-N -1 1 389.372 -0.666 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCc4c[nH]nc4C3)CC2)o1 ZINC000826323105 607567182 /nfs/dbraw/zinc/56/71/82/607567182.db2.gz QCIWRQXKKQOLHQ-UHFFFAOYSA-N -1 1 398.431 -0.407 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCc4n[nH]cc4C3)CC2)o1 ZINC000826323261 608318656 /nfs/dbraw/zinc/31/86/56/608318656.db2.gz XNNPSJJNEWSXKA-UHFFFAOYSA-N -1 1 398.431 -0.407 20 0 GBADMM Cc1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(=O)[nH]c1C ZINC000826323967 608180462 /nfs/dbraw/zinc/18/04/62/608180462.db2.gz ZODZKLRYUBJYJA-SECBINFHSA-N -1 1 396.415 -0.292 20 0 GBADMM Cc1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(=O)[nH]c1C ZINC000826323967 608180461 /nfs/dbraw/zinc/18/04/61/608180461.db2.gz ZODZKLRYUBJYJA-SECBINFHSA-N -1 1 396.415 -0.292 20 0 GBADMM Cc1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(=O)[nH]c1C ZINC000826323968 608180916 /nfs/dbraw/zinc/18/09/16/608180916.db2.gz ZODZKLRYUBJYJA-VIFPVBQESA-N -1 1 396.415 -0.292 20 0 GBADMM Cc1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(=O)[nH]c1C ZINC000826323968 608180915 /nfs/dbraw/zinc/18/09/15/608180915.db2.gz ZODZKLRYUBJYJA-VIFPVBQESA-N -1 1 396.415 -0.292 20 0 GBADMM Cc1nc(C)n(C[C@H]2CN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CCO2)n1 ZINC000826324626 947947589 /nfs/dbraw/zinc/94/75/89/947947589.db2.gz YMNQPCMALVSJGA-GFCCVEGCSA-N -1 1 387.404 -0.158 20 0 GBADMM Cc1nc(C)n(C[C@H]2CN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CCO2)n1 ZINC000826324626 947947584 /nfs/dbraw/zinc/94/75/84/947947584.db2.gz YMNQPCMALVSJGA-GFCCVEGCSA-N -1 1 387.404 -0.158 20 0 GBADMM Cc1nc(C)n(C[C@@H]2CN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CCO2)n1 ZINC000826324627 947946981 /nfs/dbraw/zinc/94/69/81/947946981.db2.gz YMNQPCMALVSJGA-LBPRGKRZSA-N -1 1 387.404 -0.158 20 0 GBADMM Cc1nc(C)n(C[C@@H]2CN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CCO2)n1 ZINC000826324627 947946973 /nfs/dbraw/zinc/94/69/73/947946973.db2.gz YMNQPCMALVSJGA-LBPRGKRZSA-N -1 1 387.404 -0.158 20 0 GBADMM Cc1nnc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)[nH]1 ZINC000826325572 947950029 /nfs/dbraw/zinc/95/00/29/947950029.db2.gz CPLZMDZWILBSON-UHFFFAOYSA-N -1 1 390.433 -0.805 20 0 GBADMM Cc1nc2c(cnn2C)c(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC000826327129 608416398 /nfs/dbraw/zinc/41/63/98/608416398.db2.gz UCDDAYTZJFODIO-UHFFFAOYSA-N -1 1 378.404 -0.032 20 0 GBADMM Cc1nc2c(cnn2C)c(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC000826327129 608416397 /nfs/dbraw/zinc/41/63/97/608416397.db2.gz UCDDAYTZJFODIO-UHFFFAOYSA-N -1 1 378.404 -0.032 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1C ZINC000826327352 608434553 /nfs/dbraw/zinc/43/45/53/608434553.db2.gz DRBOHVVGUZIXKH-UHFFFAOYSA-N -1 1 390.433 -0.790 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1C ZINC000826327352 608434551 /nfs/dbraw/zinc/43/45/51/608434551.db2.gz DRBOHVVGUZIXKH-UHFFFAOYSA-N -1 1 390.433 -0.790 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cs1 ZINC000826327470 608412176 /nfs/dbraw/zinc/41/21/76/608412176.db2.gz JBDPBKFHSOQTHE-UHFFFAOYSA-N -1 1 393.458 -0.067 20 0 GBADMM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cs1 ZINC000826327470 608412174 /nfs/dbraw/zinc/41/21/74/608412174.db2.gz JBDPBKFHSOQTHE-UHFFFAOYSA-N -1 1 393.458 -0.067 20 0 GBADMM Cc1nc(S(=O)(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1C ZINC000826327521 607606569 /nfs/dbraw/zinc/60/65/69/607606569.db2.gz KSHRPZZJFCPTFL-UHFFFAOYSA-N -1 1 392.401 -0.675 20 0 GBADMM Cc1nc(S(=O)(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1C ZINC000826327521 607606567 /nfs/dbraw/zinc/60/65/67/607606567.db2.gz KSHRPZZJFCPTFL-UHFFFAOYSA-N -1 1 392.401 -0.675 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCNC1=O ZINC000826327811 608010846 /nfs/dbraw/zinc/01/08/46/608010846.db2.gz VRWZBCFPCJRMFR-CYBMUJFWSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCNC1=O ZINC000826327811 608010845 /nfs/dbraw/zinc/01/08/45/608010845.db2.gz VRWZBCFPCJRMFR-CYBMUJFWSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCNC1=O ZINC000826327812 608010721 /nfs/dbraw/zinc/01/07/21/608010721.db2.gz VRWZBCFPCJRMFR-ZDUSSCGKSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCNC1=O ZINC000826327812 608010720 /nfs/dbraw/zinc/01/07/20/608010720.db2.gz VRWZBCFPCJRMFR-ZDUSSCGKSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NN1CCCNC1=O ZINC000826327939 947955048 /nfs/dbraw/zinc/95/50/48/947955048.db2.gz ADUXBNJPSSUKGP-UHFFFAOYSA-N -1 1 384.404 -0.095 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NN1CCCNC1=O ZINC000826327939 947955042 /nfs/dbraw/zinc/95/50/42/947955042.db2.gz ADUXBNJPSSUKGP-UHFFFAOYSA-N -1 1 384.404 -0.095 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000826328092 608826299 /nfs/dbraw/zinc/82/62/99/608826299.db2.gz GBUYPKJKGPKLBF-CYBMUJFWSA-N -1 1 399.415 -0.828 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000826328092 608826298 /nfs/dbraw/zinc/82/62/98/608826298.db2.gz GBUYPKJKGPKLBF-CYBMUJFWSA-N -1 1 399.415 -0.828 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC[C@H]1C(N)=O ZINC000826328093 608826472 /nfs/dbraw/zinc/82/64/72/608826472.db2.gz GBUYPKJKGPKLBF-ZDUSSCGKSA-N -1 1 399.415 -0.828 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC[C@H]1C(N)=O ZINC000826328093 608826470 /nfs/dbraw/zinc/82/64/70/608826470.db2.gz GBUYPKJKGPKLBF-ZDUSSCGKSA-N -1 1 399.415 -0.828 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@]1(O)CCOC1 ZINC000826328230 607862046 /nfs/dbraw/zinc/86/20/46/607862046.db2.gz JWCKSMCVSCJJHC-KRWDZBQOSA-N -1 1 386.416 -0.274 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@]1(O)CCOC1 ZINC000826328230 607862045 /nfs/dbraw/zinc/86/20/45/607862045.db2.gz JWCKSMCVSCJJHC-KRWDZBQOSA-N -1 1 386.416 -0.274 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@]1(O)CCOC1 ZINC000826328231 607862135 /nfs/dbraw/zinc/86/21/35/607862135.db2.gz JWCKSMCVSCJJHC-QGZVFWFLSA-N -1 1 386.416 -0.274 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@]1(O)CCOC1 ZINC000826328231 607862134 /nfs/dbraw/zinc/86/21/34/607862134.db2.gz JWCKSMCVSCJJHC-QGZVFWFLSA-N -1 1 386.416 -0.274 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1(C(N)=O)CCC1 ZINC000826328274 607428692 /nfs/dbraw/zinc/42/86/92/607428692.db2.gz LPPKXTLDPKFNMZ-UHFFFAOYSA-N -1 1 383.416 -0.017 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1(C(N)=O)CCC1 ZINC000826328274 607428691 /nfs/dbraw/zinc/42/86/91/607428691.db2.gz LPPKXTLDPKFNMZ-UHFFFAOYSA-N -1 1 383.416 -0.017 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCn1ccnn1 ZINC000826328325 947956931 /nfs/dbraw/zinc/95/69/31/947956931.db2.gz NLICFCACBWZKGQ-UHFFFAOYSA-N -1 1 381.404 -0.133 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCn1ccnn1 ZINC000826328325 947956926 /nfs/dbraw/zinc/95/69/26/947956926.db2.gz NLICFCACBWZKGQ-UHFFFAOYSA-N -1 1 381.404 -0.133 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCCOCCO ZINC000826328527 609180606 /nfs/dbraw/zinc/18/06/06/609180606.db2.gz USKHIMKKHSAJLJ-UHFFFAOYSA-N -1 1 388.432 -0.026 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCCOCCO ZINC000826328527 609180605 /nfs/dbraw/zinc/18/06/05/609180605.db2.gz USKHIMKKHSAJLJ-UHFFFAOYSA-N -1 1 388.432 -0.026 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NN1CC(=O)N(C)C1=O ZINC000826328556 608864932 /nfs/dbraw/zinc/86/49/32/608864932.db2.gz VPYGDYTXNMIHOU-UHFFFAOYSA-N -1 1 398.387 -0.616 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NN1CC(=O)N(C)C1=O ZINC000826328556 608864929 /nfs/dbraw/zinc/86/49/29/608864929.db2.gz VPYGDYTXNMIHOU-UHFFFAOYSA-N -1 1 398.387 -0.616 20 0 GBADMM Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C2 ZINC000826328763 608359013 /nfs/dbraw/zinc/35/90/13/608359013.db2.gz BUWYNMHGQXHBQL-UHFFFAOYSA-N -1 1 399.419 -0.301 20 0 GBADMM Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C2 ZINC000826328763 608359011 /nfs/dbraw/zinc/35/90/11/608359011.db2.gz BUWYNMHGQXHBQL-UHFFFAOYSA-N -1 1 399.419 -0.301 20 0 GBADMM Cc1nccn1-c1ncccc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826331087 608383398 /nfs/dbraw/zinc/38/33/98/608383398.db2.gz UJRBHSFNEQWEOZ-UHFFFAOYSA-N -1 1 394.399 -0.235 20 0 GBADMM Cc1nn(-c2ccccc2)c(COC(=O)Cn2ncn(C)c2=O)c1-c1nn[n-]n1 ZINC000826332927 609294665 /nfs/dbraw/zinc/29/46/65/609294665.db2.gz NEQNTAMVRGMXHU-UHFFFAOYSA-N -1 1 395.383 -0.001 20 0 GBADMM Cc1nn(C)c(C)c1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826333253 608555769 /nfs/dbraw/zinc/55/57/69/608555769.db2.gz ABYOUXPFALKOQT-UHFFFAOYSA-N -1 1 388.436 -0.008 20 0 GBADMM Cc1nn(C)c(C)c1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826333253 608555768 /nfs/dbraw/zinc/55/57/68/608555768.db2.gz ABYOUXPFALKOQT-UHFFFAOYSA-N -1 1 388.436 -0.008 20 0 GBADMM Cc1nn(CCc2ccc(S(N)(=O)=O)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334883 608395627 /nfs/dbraw/zinc/39/56/27/608395627.db2.gz NRLHXABJVVPJGB-UHFFFAOYSA-N -1 1 375.414 -0.070 20 0 GBADMM Cc1nnc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c(C(N)=O)c1C ZINC000826336236 608414121 /nfs/dbraw/zinc/41/41/21/608414121.db2.gz SEAQDDJFIGNCMG-UHFFFAOYSA-N -1 1 381.404 -0.511 20 0 GBADMM Cc1nnc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c(C(N)=O)c1C ZINC000826336236 608414119 /nfs/dbraw/zinc/41/41/19/608414119.db2.gz SEAQDDJFIGNCMG-UHFFFAOYSA-N -1 1 381.404 -0.511 20 0 GBADMM Cc1noc(C)c1S(=O)(=O)NCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826339502 607597943 /nfs/dbraw/zinc/59/79/43/607597943.db2.gz HBVNIYNZCKTQKI-UHFFFAOYSA-N -1 1 393.385 -0.112 20 0 GBADMM Cc1noc(C2(C)CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)n1 ZINC000826339793 609315810 /nfs/dbraw/zinc/31/58/10/609315810.db2.gz UKLPXAJKNAVTIE-UHFFFAOYSA-N -1 1 387.404 -0.486 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000826341025 608565781 /nfs/dbraw/zinc/56/57/81/608565781.db2.gz UBILUHDWJIGNNT-MRVPVSSYSA-N -1 1 379.402 -0.034 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000826341025 608565778 /nfs/dbraw/zinc/56/57/78/608565778.db2.gz UBILUHDWJIGNNT-MRVPVSSYSA-N -1 1 379.402 -0.034 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](C)S(N)(=O)=O ZINC000826341026 608565969 /nfs/dbraw/zinc/56/59/69/608565969.db2.gz UBILUHDWJIGNNT-QMMMGPOBSA-N -1 1 379.402 -0.034 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](C)S(N)(=O)=O ZINC000826341026 608565968 /nfs/dbraw/zinc/56/59/68/608565968.db2.gz UBILUHDWJIGNNT-QMMMGPOBSA-N -1 1 379.402 -0.034 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN1CCNC(=O)C1 ZINC000826341060 609287871 /nfs/dbraw/zinc/28/78/71/609287871.db2.gz VDCDTZGYSGLXCE-UHFFFAOYSA-N -1 1 384.400 -0.280 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCN1CCNC(=O)C1 ZINC000826341060 609287869 /nfs/dbraw/zinc/28/78/69/609287869.db2.gz VDCDTZGYSGLXCE-UHFFFAOYSA-N -1 1 384.400 -0.280 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN(C(=O)CO)CC1 ZINC000826341071 608207174 /nfs/dbraw/zinc/20/71/74/608207174.db2.gz VLLZPSIOHZOHPB-UHFFFAOYSA-N -1 1 385.384 -0.164 20 0 GBADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN(C(=O)CO)CC1 ZINC000826341071 608207172 /nfs/dbraw/zinc/20/71/72/608207172.db2.gz VLLZPSIOHZOHPB-UHFFFAOYSA-N -1 1 385.384 -0.164 20 0 GBADMM Cc1oc(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826341234 607465196 /nfs/dbraw/zinc/46/51/96/607465196.db2.gz BCJVLLLQWAXEPM-JTQLQIEISA-N -1 1 383.434 -0.232 20 0 GBADMM Cc1oc(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826341235 607465236 /nfs/dbraw/zinc/46/52/36/607465236.db2.gz BCJVLLLQWAXEPM-SNVBAGLBSA-N -1 1 383.434 -0.232 20 0 GBADMM Cc1oc(NC(=O)CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000826341469 947979377 /nfs/dbraw/zinc/97/93/77/947979377.db2.gz IFPVLTHKHJUFOB-VIFPVBQESA-N -1 1 397.461 -0.019 20 0 GBADMM Cc1oc(NC(=O)CN2CCN(C(=O)[C@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000826341671 608258180 /nfs/dbraw/zinc/25/81/80/608258180.db2.gz NGBHCEJXENTBIH-JTQLQIEISA-N -1 1 377.405 -0.460 20 0 GBADMM Cc1oc(NC(=O)CN2CCN(C(=O)[C@@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000826341672 608258575 /nfs/dbraw/zinc/25/85/75/608258575.db2.gz NGBHCEJXENTBIH-SNVBAGLBSA-N -1 1 377.405 -0.460 20 0 GBADMM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000826341680 607957745 /nfs/dbraw/zinc/95/77/45/607957745.db2.gz NKTYQFYXALSPEQ-PSASIEDQSA-N -1 1 383.434 -0.234 20 0 GBADMM Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000826341681 607957736 /nfs/dbraw/zinc/95/77/36/607957736.db2.gz NKTYQFYXALSPEQ-SCZZXKLOSA-N -1 1 383.434 -0.234 20 0 GBADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000826341682 607957719 /nfs/dbraw/zinc/95/77/19/607957719.db2.gz NKTYQFYXALSPEQ-WCBMZHEXSA-N -1 1 383.434 -0.234 20 0 GBADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000826341683 607957733 /nfs/dbraw/zinc/95/77/33/607957733.db2.gz NKTYQFYXALSPEQ-WPRPVWTQSA-N -1 1 383.434 -0.234 20 0 GBADMM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341763 608088282 /nfs/dbraw/zinc/08/82/82/608088282.db2.gz POPHZJSZOZZVTL-PSASIEDQSA-N -1 1 388.388 -0.360 20 0 GBADMM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341764 608088238 /nfs/dbraw/zinc/08/82/38/608088238.db2.gz POPHZJSZOZZVTL-SCZZXKLOSA-N -1 1 388.388 -0.360 20 0 GBADMM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341765 608088187 /nfs/dbraw/zinc/08/81/87/608088187.db2.gz POPHZJSZOZZVTL-WCBMZHEXSA-N -1 1 388.388 -0.360 20 0 GBADMM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341766 608088052 /nfs/dbraw/zinc/08/80/52/608088052.db2.gz POPHZJSZOZZVTL-WPRPVWTQSA-N -1 1 388.388 -0.360 20 0 GBADMM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)[C@@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000826342004 608258634 /nfs/dbraw/zinc/25/86/34/608258634.db2.gz VMIUJZLSOJHBMO-GHMZBOCLSA-N -1 1 391.432 -0.071 20 0 GBADMM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)[C@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000826342005 608258643 /nfs/dbraw/zinc/25/86/43/608258643.db2.gz VMIUJZLSOJHBMO-MNOVXSKESA-N -1 1 391.432 -0.071 20 0 GBADMM Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)[C@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000826342006 608258637 /nfs/dbraw/zinc/25/86/37/608258637.db2.gz VMIUJZLSOJHBMO-QWRGUYRKSA-N -1 1 391.432 -0.071 20 0 GBADMM Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)[C@@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000826342007 608258153 /nfs/dbraw/zinc/25/81/53/608258153.db2.gz VMIUJZLSOJHBMO-WDEREUQCSA-N -1 1 391.432 -0.071 20 0 GBADMM Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)CO)CC2)c(-c2nn[n-]n2)c1C ZINC000826342172 608003327 /nfs/dbraw/zinc/00/33/27/608003327.db2.gz ZVJCOWJTWHDFFS-JTQLQIEISA-N -1 1 377.405 -0.460 20 0 GBADMM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)CO)CC2)c(-c2nn[n-]n2)c1C ZINC000826342173 608004291 /nfs/dbraw/zinc/00/42/91/608004291.db2.gz ZVJCOWJTWHDFFS-SNVBAGLBSA-N -1 1 377.405 -0.460 20 0 GBADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826342229 607976042 /nfs/dbraw/zinc/97/60/42/607976042.db2.gz BVPUCPMAQBUBFP-SSDOTTSWSA-N -1 1 386.390 -0.504 20 0 GBADMM Cc1oc(NC(=O)COC(=O)[C@H](C)NS(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826342230 607976263 /nfs/dbraw/zinc/97/62/63/607976263.db2.gz BVPUCPMAQBUBFP-ZETCQYMHSA-N -1 1 386.390 -0.504 20 0 GBADMM Cc1oc(NC(=O)COC(=O)Cn2cc([C@@H](C)O)nn2)c(-c2nn[n-]n2)c1C ZINC000826342349 609240949 /nfs/dbraw/zinc/24/09/49/609240949.db2.gz HEYGCHJZVDXEFI-MRVPVSSYSA-N -1 1 390.360 -0.097 20 0 GBADMM Cc1oc(NC(=O)COC(=O)Cn2cc([C@H](C)O)nn2)c(-c2nn[n-]n2)c1C ZINC000826342350 609241295 /nfs/dbraw/zinc/24/12/95/609241295.db2.gz HEYGCHJZVDXEFI-QMMMGPOBSA-N -1 1 390.360 -0.097 20 0 GBADMM Cc1oc(NC(=O)COC(=O)Cn2ncn(C)c2=O)c(-c2nn[n-]n2)c1C ZINC000826342551 609294849 /nfs/dbraw/zinc/29/48/49/609294849.db2.gz PUHVFJCVBGBHKH-UHFFFAOYSA-N -1 1 376.333 -0.846 20 0 GBADMM Cc1onc(CC(=O)N(C)C[C@@H](O)COCCOC(C)C)c1-c1nn[n-]n1 ZINC000826343018 947985624 /nfs/dbraw/zinc/98/56/24/947985624.db2.gz JHLKBHYPJYNFGX-GFCCVEGCSA-N -1 1 382.421 -0.033 20 0 GBADMM Cc1onc(CC(=O)N(C)C[C@@H](O)COCCOC(C)C)c1-c1nnn[n-]1 ZINC000826343018 947985617 /nfs/dbraw/zinc/98/56/17/947985617.db2.gz JHLKBHYPJYNFGX-GFCCVEGCSA-N -1 1 382.421 -0.033 20 0 GBADMM Cc1onc(CC(=O)N(C)C[C@H](O)COCCOC(C)C)c1-c1nn[n-]n1 ZINC000826343019 947986591 /nfs/dbraw/zinc/98/65/91/947986591.db2.gz JHLKBHYPJYNFGX-LBPRGKRZSA-N -1 1 382.421 -0.033 20 0 GBADMM Cc1onc(CC(=O)N(C)C[C@H](O)COCCOC(C)C)c1-c1nnn[n-]1 ZINC000826343019 947986586 /nfs/dbraw/zinc/98/65/86/947986586.db2.gz JHLKBHYPJYNFGX-LBPRGKRZSA-N -1 1 382.421 -0.033 20 0 GBADMM Cc1onc(CC(=O)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1-c1nn[n-]n1 ZINC000826343551 947992852 /nfs/dbraw/zinc/99/28/52/947992852.db2.gz FVKCJCHQLRTYQW-INIZCTEOSA-N -1 1 388.388 -0.363 20 0 GBADMM Cc1onc(CC(=O)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1-c1nnn[n-]1 ZINC000826343551 947992848 /nfs/dbraw/zinc/99/28/48/947992848.db2.gz FVKCJCHQLRTYQW-INIZCTEOSA-N -1 1 388.388 -0.363 20 0 GBADMM Cc1onc(CC(=O)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1-c1nn[n-]n1 ZINC000826343552 947993686 /nfs/dbraw/zinc/99/36/86/947993686.db2.gz FVKCJCHQLRTYQW-MRXNPFEDSA-N -1 1 388.388 -0.363 20 0 GBADMM Cc1onc(CC(=O)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1-c1nnn[n-]1 ZINC000826343552 947993681 /nfs/dbraw/zinc/99/36/81/947993681.db2.gz FVKCJCHQLRTYQW-MRXNPFEDSA-N -1 1 388.388 -0.363 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826343704 947994816 /nfs/dbraw/zinc/99/48/16/947994816.db2.gz KRTQNSWVEPLPIQ-GFCCVEGCSA-N -1 1 389.416 -0.197 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826343704 947994812 /nfs/dbraw/zinc/99/48/12/947994812.db2.gz KRTQNSWVEPLPIQ-GFCCVEGCSA-N -1 1 389.416 -0.197 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826343705 947994754 /nfs/dbraw/zinc/99/47/54/947994754.db2.gz KRTQNSWVEPLPIQ-LBPRGKRZSA-N -1 1 389.416 -0.197 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826343705 947994748 /nfs/dbraw/zinc/99/47/48/947994748.db2.gz KRTQNSWVEPLPIQ-LBPRGKRZSA-N -1 1 389.416 -0.197 20 0 GBADMM Cc1onc(CC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1-c1nn[n-]n1 ZINC000826344031 609423721 /nfs/dbraw/zinc/42/37/21/609423721.db2.gz VQLQYHGSKFIRPZ-UHFFFAOYSA-N -1 1 395.445 -0.222 20 0 GBADMM Cc1onc(CC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1-c1nnn[n-]1 ZINC000826344031 609423720 /nfs/dbraw/zinc/42/37/20/609423720.db2.gz VQLQYHGSKFIRPZ-UHFFFAOYSA-N -1 1 395.445 -0.222 20 0 GBADMM Cc1onc(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC000826344245 948005447 /nfs/dbraw/zinc/00/54/47/948005447.db2.gz BIJGPYNSBAYLQC-GFCCVEGCSA-N -1 1 375.389 -0.445 20 0 GBADMM Cc1onc(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1-c1nnn[n-]1 ZINC000826344245 948005435 /nfs/dbraw/zinc/00/54/35/948005435.db2.gz BIJGPYNSBAYLQC-GFCCVEGCSA-N -1 1 375.389 -0.445 20 0 GBADMM Cc1onc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC000826344246 948004117 /nfs/dbraw/zinc/00/41/17/948004117.db2.gz BIJGPYNSBAYLQC-LBPRGKRZSA-N -1 1 375.389 -0.445 20 0 GBADMM Cc1onc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1-c1nnn[n-]1 ZINC000826344246 948004110 /nfs/dbraw/zinc/00/41/10/948004110.db2.gz BIJGPYNSBAYLQC-LBPRGKRZSA-N -1 1 375.389 -0.445 20 0 GBADMM Cc1onc(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)c1-c1nn[n-]n1 ZINC000826344260 948004023 /nfs/dbraw/zinc/00/40/23/948004023.db2.gz BWIXPDYTLOLLML-UHFFFAOYSA-N -1 1 395.387 -0.508 20 0 GBADMM Cc1onc(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)c1-c1nnn[n-]1 ZINC000826344260 948004011 /nfs/dbraw/zinc/00/40/11/948004011.db2.gz BWIXPDYTLOLLML-UHFFFAOYSA-N -1 1 395.387 -0.508 20 0 GBADMM Cc1onc(CC(=O)N2CCO[C@H](CN(C)c3cccnn3)C2)c1-c1nn[n-]n1 ZINC000826344378 948007606 /nfs/dbraw/zinc/00/76/06/948007606.db2.gz GKIWHCJTFXIBQO-GFCCVEGCSA-N -1 1 399.415 -0.141 20 0 GBADMM Cc1onc(CC(=O)N2CCO[C@H](CN(C)c3cccnn3)C2)c1-c1nnn[n-]1 ZINC000826344378 948007593 /nfs/dbraw/zinc/00/75/93/948007593.db2.gz GKIWHCJTFXIBQO-GFCCVEGCSA-N -1 1 399.415 -0.141 20 0 GBADMM Cc1onc(CC(=O)N2CCO[C@@H](CN(C)c3cccnn3)C2)c1-c1nn[n-]n1 ZINC000826344379 948006395 /nfs/dbraw/zinc/00/63/95/948006395.db2.gz GKIWHCJTFXIBQO-LBPRGKRZSA-N -1 1 399.415 -0.141 20 0 GBADMM Cc1onc(CC(=O)N2CCO[C@@H](CN(C)c3cccnn3)C2)c1-c1nnn[n-]1 ZINC000826344379 948006385 /nfs/dbraw/zinc/00/63/85/948006385.db2.gz GKIWHCJTFXIBQO-LBPRGKRZSA-N -1 1 399.415 -0.141 20 0 GBADMM Cc1onc(CC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826344419 948007383 /nfs/dbraw/zinc/00/73/83/948007383.db2.gz HHSZQYVCLNYPER-UHFFFAOYSA-N -1 1 376.421 -0.626 20 0 GBADMM Cc1onc(CC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826344419 948007374 /nfs/dbraw/zinc/00/73/74/948007374.db2.gz HHSZQYVCLNYPER-UHFFFAOYSA-N -1 1 376.421 -0.626 20 0 GBADMM Cc1onc(CC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1-c1nn[n-]n1 ZINC000826344449 948007093 /nfs/dbraw/zinc/00/70/93/948007093.db2.gz IMANDNGLIVFPEJ-JTQLQIEISA-N -1 1 388.432 -0.483 20 0 GBADMM Cc1onc(CC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1-c1nnn[n-]1 ZINC000826344449 948007088 /nfs/dbraw/zinc/00/70/88/948007088.db2.gz IMANDNGLIVFPEJ-JTQLQIEISA-N -1 1 388.432 -0.483 20 0 GBADMM Cc1onc(CC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1-c1nn[n-]n1 ZINC000826344450 948007220 /nfs/dbraw/zinc/00/72/20/948007220.db2.gz IMANDNGLIVFPEJ-SNVBAGLBSA-N -1 1 388.432 -0.483 20 0 GBADMM Cc1onc(CC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1-c1nnn[n-]1 ZINC000826344450 948007214 /nfs/dbraw/zinc/00/72/14/948007214.db2.gz IMANDNGLIVFPEJ-SNVBAGLBSA-N -1 1 388.432 -0.483 20 0 GBADMM Cc1onc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826344486 948010266 /nfs/dbraw/zinc/01/02/66/948010266.db2.gz JNEURAHMAOWYAD-UHFFFAOYSA-N -1 1 388.432 -0.528 20 0 GBADMM Cc1onc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000826344486 948010257 /nfs/dbraw/zinc/01/02/57/948010257.db2.gz JNEURAHMAOWYAD-UHFFFAOYSA-N -1 1 388.432 -0.528 20 0 GBADMM Cc1onc(CC(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826344602 948009285 /nfs/dbraw/zinc/00/92/85/948009285.db2.gz MGDRMPGBFQAIGI-UHFFFAOYSA-N -1 1 397.399 -0.452 20 0 GBADMM Cc1onc(CC(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826344602 948009279 /nfs/dbraw/zinc/00/92/79/948009279.db2.gz MGDRMPGBFQAIGI-UHFFFAOYSA-N -1 1 397.399 -0.452 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c1-c1nn[n-]n1 ZINC000826344672 948012526 /nfs/dbraw/zinc/01/25/26/948012526.db2.gz OGBOSMANRMBUCQ-SECBINFHSA-N -1 1 385.388 -0.066 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c1-c1nnn[n-]1 ZINC000826344672 948012515 /nfs/dbraw/zinc/01/25/15/948012515.db2.gz OGBOSMANRMBUCQ-SECBINFHSA-N -1 1 385.388 -0.066 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c1-c1nn[n-]n1 ZINC000826344673 948011846 /nfs/dbraw/zinc/01/18/46/948011846.db2.gz OGBOSMANRMBUCQ-VIFPVBQESA-N -1 1 385.388 -0.066 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c1-c1nnn[n-]1 ZINC000826344673 948011837 /nfs/dbraw/zinc/01/18/37/948011837.db2.gz OGBOSMANRMBUCQ-VIFPVBQESA-N -1 1 385.388 -0.066 20 0 GBADMM Cc1onc(CC(=O)N2CCN(c3nc(N)ns3)CC2)c1-c1nn[n-]n1 ZINC000826344729 948013994 /nfs/dbraw/zinc/01/39/94/948013994.db2.gz QQSCIHXUAPNTFP-UHFFFAOYSA-N -1 1 376.406 -0.512 20 0 GBADMM Cc1onc(CC(=O)N2CCN(c3nc(N)ns3)CC2)c1-c1nnn[n-]1 ZINC000826344729 948013987 /nfs/dbraw/zinc/01/39/87/948013987.db2.gz QQSCIHXUAPNTFP-UHFFFAOYSA-N -1 1 376.406 -0.512 20 0 GBADMM Cc1onc(CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826344742 948014990 /nfs/dbraw/zinc/01/49/90/948014990.db2.gz RBRISERFMLKSMB-JTQLQIEISA-N -1 1 383.434 -0.364 20 0 GBADMM Cc1onc(CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826344742 948014983 /nfs/dbraw/zinc/01/49/83/948014983.db2.gz RBRISERFMLKSMB-JTQLQIEISA-N -1 1 383.434 -0.364 20 0 GBADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826344743 948015062 /nfs/dbraw/zinc/01/50/62/948015062.db2.gz RBRISERFMLKSMB-SNVBAGLBSA-N -1 1 383.434 -0.364 20 0 GBADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826344743 948015054 /nfs/dbraw/zinc/01/50/54/948015054.db2.gz RBRISERFMLKSMB-SNVBAGLBSA-N -1 1 383.434 -0.364 20 0 GBADMM Cc1onc(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826344834 948013455 /nfs/dbraw/zinc/01/34/55/948013455.db2.gz UAOQVOJADUWKHC-CYBMUJFWSA-N -1 1 389.416 -0.054 20 0 GBADMM Cc1onc(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826344834 948013441 /nfs/dbraw/zinc/01/34/41/948013441.db2.gz UAOQVOJADUWKHC-CYBMUJFWSA-N -1 1 389.416 -0.054 20 0 GBADMM Cc1onc(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826344835 948014362 /nfs/dbraw/zinc/01/43/62/948014362.db2.gz UAOQVOJADUWKHC-ZDUSSCGKSA-N -1 1 389.416 -0.054 20 0 GBADMM Cc1onc(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826344835 948014354 /nfs/dbraw/zinc/01/43/54/948014354.db2.gz UAOQVOJADUWKHC-ZDUSSCGKSA-N -1 1 389.416 -0.054 20 0 GBADMM Cc1onc(CC(=O)N2CCN(CCn3ccccc3=O)CC2)c1-c1nn[n-]n1 ZINC000826344963 609471108 /nfs/dbraw/zinc/47/11/08/609471108.db2.gz YDHIBXMDCKDCPD-UHFFFAOYSA-N -1 1 398.427 -0.288 20 0 GBADMM Cc1onc(CC(=O)N2CCN(CCn3ccccc3=O)CC2)c1-c1nnn[n-]1 ZINC000826344963 609471106 /nfs/dbraw/zinc/47/11/06/609471106.db2.gz YDHIBXMDCKDCPD-UHFFFAOYSA-N -1 1 398.427 -0.288 20 0 GBADMM Cc1onc(CC(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c1-c1nn[n-]n1 ZINC000826345904 948033499 /nfs/dbraw/zinc/03/34/99/948033499.db2.gz XQCZSNVNGBMPSR-UHFFFAOYSA-N -1 1 389.397 -0.058 20 0 GBADMM Cc1onc(CC(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c1-c1nnn[n-]1 ZINC000826345904 948033493 /nfs/dbraw/zinc/03/34/93/948033493.db2.gz XQCZSNVNGBMPSR-UHFFFAOYSA-N -1 1 389.397 -0.058 20 0 GBADMM Cc1onc(CC(=O)NCC(=O)N(C)CCc2ccccn2)c1-c1nn[n-]n1 ZINC000826346456 948041458 /nfs/dbraw/zinc/04/14/58/948041458.db2.gz MVVWNFNPCPVUBX-UHFFFAOYSA-N -1 1 384.400 -0.082 20 0 GBADMM Cc1onc(CC(=O)NCC(=O)N(C)CCc2ccccn2)c1-c1nnn[n-]1 ZINC000826346456 948041451 /nfs/dbraw/zinc/04/14/51/948041451.db2.gz MVVWNFNPCPVUBX-UHFFFAOYSA-N -1 1 384.400 -0.082 20 0 GBADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1-c1nn[n-]n1 ZINC000826346735 948043800 /nfs/dbraw/zinc/04/38/00/948043800.db2.gz UQWQORMUCSXYOB-JTQLQIEISA-N -1 1 385.388 -0.249 20 0 GBADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1-c1nnn[n-]1 ZINC000826346735 948043796 /nfs/dbraw/zinc/04/37/96/948043796.db2.gz UQWQORMUCSXYOB-JTQLQIEISA-N -1 1 385.388 -0.249 20 0 GBADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1-c1nn[n-]n1 ZINC000826346736 948042700 /nfs/dbraw/zinc/04/27/00/948042700.db2.gz UQWQORMUCSXYOB-SNVBAGLBSA-N -1 1 385.388 -0.249 20 0 GBADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1-c1nnn[n-]1 ZINC000826346736 948042694 /nfs/dbraw/zinc/04/26/94/948042694.db2.gz UQWQORMUCSXYOB-SNVBAGLBSA-N -1 1 385.388 -0.249 20 0 GBADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)c1-c1nn[n-]n1 ZINC000826346754 948044374 /nfs/dbraw/zinc/04/43/74/948044374.db2.gz UZCLMJDTGFBZTQ-LLVKDONJSA-N -1 1 385.388 -0.249 20 0 GBADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)c1-c1nnn[n-]1 ZINC000826346754 948044367 /nfs/dbraw/zinc/04/43/67/948044367.db2.gz UZCLMJDTGFBZTQ-LLVKDONJSA-N -1 1 385.388 -0.249 20 0 GBADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2=O)c1-c1nn[n-]n1 ZINC000826346755 948044094 /nfs/dbraw/zinc/04/40/94/948044094.db2.gz UZCLMJDTGFBZTQ-NSHDSACASA-N -1 1 385.388 -0.249 20 0 GBADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2=O)c1-c1nnn[n-]1 ZINC000826346755 948044085 /nfs/dbraw/zinc/04/40/85/948044085.db2.gz UZCLMJDTGFBZTQ-NSHDSACASA-N -1 1 385.388 -0.249 20 0 GBADMM Cc1onc(CC(=O)NCC(C)(C)N2CCS(=O)CC2)c1-c1nn[n-]n1 ZINC000826346850 948046635 /nfs/dbraw/zinc/04/66/35/948046635.db2.gz XHMVYVLYGYKXCS-UHFFFAOYSA-N -1 1 381.462 -0.335 20 0 GBADMM Cc1onc(CC(=O)NCC(C)(C)N2CCS(=O)CC2)c1-c1nnn[n-]1 ZINC000826346850 948046625 /nfs/dbraw/zinc/04/66/25/948046625.db2.gz XHMVYVLYGYKXCS-UHFFFAOYSA-N -1 1 381.462 -0.335 20 0 GBADMM Cc1onc(CC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1-c1nn[n-]n1 ZINC000826346923 948044812 /nfs/dbraw/zinc/04/48/12/948044812.db2.gz YXDNTTZELQKDME-PELKAZGASA-N -1 1 385.388 -0.251 20 0 GBADMM Cc1onc(CC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1-c1nnn[n-]1 ZINC000826346923 948044805 /nfs/dbraw/zinc/04/48/05/948044805.db2.gz YXDNTTZELQKDME-PELKAZGASA-N -1 1 385.388 -0.251 20 0 GBADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1-c1nn[n-]n1 ZINC000826346924 948044746 /nfs/dbraw/zinc/04/47/46/948044746.db2.gz YXDNTTZELQKDME-PRHODGIISA-N -1 1 385.388 -0.251 20 0 GBADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1-c1nnn[n-]1 ZINC000826346924 948044738 /nfs/dbraw/zinc/04/47/38/948044738.db2.gz YXDNTTZELQKDME-PRHODGIISA-N -1 1 385.388 -0.251 20 0 GBADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1-c1nn[n-]n1 ZINC000826346925 948044912 /nfs/dbraw/zinc/04/49/12/948044912.db2.gz YXDNTTZELQKDME-QPUJVOFHSA-N -1 1 385.388 -0.251 20 0 GBADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1-c1nnn[n-]1 ZINC000826346925 948044904 /nfs/dbraw/zinc/04/49/04/948044904.db2.gz YXDNTTZELQKDME-QPUJVOFHSA-N -1 1 385.388 -0.251 20 0 GBADMM Cc1onc(CC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1-c1nn[n-]n1 ZINC000826346926 948044942 /nfs/dbraw/zinc/04/49/42/948044942.db2.gz YXDNTTZELQKDME-UFBFGSQYSA-N -1 1 385.388 -0.251 20 0 GBADMM Cc1onc(CC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1-c1nnn[n-]1 ZINC000826346926 948044932 /nfs/dbraw/zinc/04/49/32/948044932.db2.gz YXDNTTZELQKDME-UFBFGSQYSA-N -1 1 385.388 -0.251 20 0 GBADMM Cc1onc(CC(=O)NCC2(O)CCC3(CC2)OCCO3)c1-c1nn[n-]n1 ZINC000826347060 948049245 /nfs/dbraw/zinc/04/92/45/948049245.db2.gz CXJZFLDWVSACCS-UHFFFAOYSA-N -1 1 378.389 -0.130 20 0 GBADMM Cc1onc(CC(=O)NCC2(O)CCC3(CC2)OCCO3)c1-c1nnn[n-]1 ZINC000826347060 948049237 /nfs/dbraw/zinc/04/92/37/948049237.db2.gz CXJZFLDWVSACCS-UHFFFAOYSA-N -1 1 378.389 -0.130 20 0 GBADMM Cc1onc(CC(=O)NCCNS(=O)(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826347158 948050851 /nfs/dbraw/zinc/05/08/51/948050851.db2.gz GXKTYHRJVIIGMD-UHFFFAOYSA-N -1 1 391.413 -0.200 20 0 GBADMM Cc1onc(CC(=O)NCCNS(=O)(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826347158 948050842 /nfs/dbraw/zinc/05/08/42/948050842.db2.gz GXKTYHRJVIIGMD-UHFFFAOYSA-N -1 1 391.413 -0.200 20 0 GBADMM Cc1onc(CC(=O)NCCNS(=O)(=O)c2cccnc2)c1-c1nn[n-]n1 ZINC000826347208 948050973 /nfs/dbraw/zinc/05/09/73/948050973.db2.gz IQUAMZMRPSBDHO-UHFFFAOYSA-N -1 1 392.401 -0.805 20 0 GBADMM Cc1onc(CC(=O)NCCNS(=O)(=O)c2cccnc2)c1-c1nnn[n-]1 ZINC000826347208 948050963 /nfs/dbraw/zinc/05/09/63/948050963.db2.gz IQUAMZMRPSBDHO-UHFFFAOYSA-N -1 1 392.401 -0.805 20 0 GBADMM Cc1onc(CC(=O)NCCN2CCN(c3ncccn3)CC2)c1-c1nn[n-]n1 ZINC000826347326 948054212 /nfs/dbraw/zinc/05/42/12/948054212.db2.gz NLRKAOKZGZJJIL-UHFFFAOYSA-N -1 1 398.431 -0.566 20 0 GBADMM Cc1onc(CC(=O)NCCCn2nc3n(c2=O)CCCC3)c1-c1nn[n-]n1 ZINC000826347387 948052621 /nfs/dbraw/zinc/05/26/21/948052621.db2.gz PLVTZCZRBKAXPQ-UHFFFAOYSA-N -1 1 387.404 -0.393 20 0 GBADMM Cc1onc(CC(=O)NCCCn2nc3n(c2=O)CCCC3)c1-c1nnn[n-]1 ZINC000826347387 948052614 /nfs/dbraw/zinc/05/26/14/948052614.db2.gz PLVTZCZRBKAXPQ-UHFFFAOYSA-N -1 1 387.404 -0.393 20 0 GBADMM Cc1onc(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826347456 948052735 /nfs/dbraw/zinc/05/27/35/948052735.db2.gz RWGNQLDMRRDTKX-NXEZZACHSA-N -1 1 383.434 -0.460 20 0 GBADMM Cc1onc(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826347456 948052723 /nfs/dbraw/zinc/05/27/23/948052723.db2.gz RWGNQLDMRRDTKX-NXEZZACHSA-N -1 1 383.434 -0.460 20 0 GBADMM Cc1onc(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826347457 948052413 /nfs/dbraw/zinc/05/24/13/948052413.db2.gz RWGNQLDMRRDTKX-UWVGGRQHSA-N -1 1 383.434 -0.460 20 0 GBADMM Cc1onc(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826347457 948052406 /nfs/dbraw/zinc/05/24/06/948052406.db2.gz RWGNQLDMRRDTKX-UWVGGRQHSA-N -1 1 383.434 -0.460 20 0 GBADMM Cc1onc(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826347458 948053946 /nfs/dbraw/zinc/05/39/46/948053946.db2.gz RWGNQLDMRRDTKX-VHSXEESVSA-N -1 1 383.434 -0.460 20 0 GBADMM Cc1onc(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826347458 948053941 /nfs/dbraw/zinc/05/39/41/948053941.db2.gz RWGNQLDMRRDTKX-VHSXEESVSA-N -1 1 383.434 -0.460 20 0 GBADMM Cc1onc(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826347459 948054433 /nfs/dbraw/zinc/05/44/33/948054433.db2.gz RWGNQLDMRRDTKX-ZJUUUORDSA-N -1 1 383.434 -0.460 20 0 GBADMM Cc1onc(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826347459 948054428 /nfs/dbraw/zinc/05/44/28/948054428.db2.gz RWGNQLDMRRDTKX-ZJUUUORDSA-N -1 1 383.434 -0.460 20 0 GBADMM Cc1onc(CC(=O)NCCNS(=O)(=O)c2cccs2)c1-c1nn[n-]n1 ZINC000826347571 948056304 /nfs/dbraw/zinc/05/63/04/948056304.db2.gz VRKYBEZCDAHEER-UHFFFAOYSA-N -1 1 397.442 -0.138 20 0 GBADMM Cc1onc(CC(=O)NCCNS(=O)(=O)c2cccs2)c1-c1nnn[n-]1 ZINC000826347571 948056291 /nfs/dbraw/zinc/05/62/91/948056291.db2.gz VRKYBEZCDAHEER-UHFFFAOYSA-N -1 1 397.442 -0.138 20 0 GBADMM Cc1onc(CC(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1-c1nn[n-]n1 ZINC000826347694 948058475 /nfs/dbraw/zinc/05/84/75/948058475.db2.gz AJHPTVUZKQHRLP-UHFFFAOYSA-N -1 1 395.376 -0.191 20 0 GBADMM Cc1onc(CC(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1-c1nnn[n-]1 ZINC000826347694 948058465 /nfs/dbraw/zinc/05/84/65/948058465.db2.gz AJHPTVUZKQHRLP-UHFFFAOYSA-N -1 1 395.376 -0.191 20 0 GBADMM Cc1onc(CC(=O)NCc2cccc(S(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826347697 948058278 /nfs/dbraw/zinc/05/82/78/948058278.db2.gz ANSGMDCEGHPXSP-UHFFFAOYSA-N -1 1 377.386 -0.331 20 0 GBADMM Cc1onc(CC(=O)NCc2cccc(S(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826347697 948058270 /nfs/dbraw/zinc/05/82/70/948058270.db2.gz ANSGMDCEGHPXSP-UHFFFAOYSA-N -1 1 377.386 -0.331 20 0 GBADMM Cc1onc(CC(=O)NCCS(=O)(=O)NCC2CCC2)c1-c1nn[n-]n1 ZINC000826347702 948058766 /nfs/dbraw/zinc/05/87/66/948058766.db2.gz ATCYQYHTLWNOQC-UHFFFAOYSA-N -1 1 383.434 -0.459 20 0 GBADMM Cc1onc(CC(=O)NCCS(=O)(=O)NCC2CCC2)c1-c1nnn[n-]1 ZINC000826347702 948058758 /nfs/dbraw/zinc/05/87/58/948058758.db2.gz ATCYQYHTLWNOQC-UHFFFAOYSA-N -1 1 383.434 -0.459 20 0 GBADMM Cc1onc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826347765 948060508 /nfs/dbraw/zinc/06/05/08/948060508.db2.gz FAHDLRDPCYHEGT-UHFFFAOYSA-N -1 1 377.386 -0.331 20 0 GBADMM Cc1onc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826347765 948060496 /nfs/dbraw/zinc/06/04/96/948060496.db2.gz FAHDLRDPCYHEGT-UHFFFAOYSA-N -1 1 377.386 -0.331 20 0 GBADMM Cc1onc(CC(=O)NCc2ccc(S(N)(=O)=O)s2)c1-c1nn[n-]n1 ZINC000826347773 638011379 /nfs/dbraw/zinc/01/13/79/638011379.db2.gz FMOKJJWPVWIMCB-UHFFFAOYSA-N -1 1 383.415 -0.269 20 0 GBADMM Cc1onc(CC(=O)NCc2ccc(S(N)(=O)=O)s2)c1-c1nnn[n-]1 ZINC000826347773 638011355 /nfs/dbraw/zinc/01/13/55/638011355.db2.gz FMOKJJWPVWIMCB-UHFFFAOYSA-N -1 1 383.415 -0.269 20 0 GBADMM Cc1onc(CC(=O)NCc2cccc(CS(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826348120 948066691 /nfs/dbraw/zinc/06/66/91/948066691.db2.gz VNOXPUXNGMBZSE-UHFFFAOYSA-N -1 1 391.413 -0.189 20 0 GBADMM Cc1onc(CC(=O)NCc2cccc(CS(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826348120 948066682 /nfs/dbraw/zinc/06/66/82/948066682.db2.gz VNOXPUXNGMBZSE-UHFFFAOYSA-N -1 1 391.413 -0.189 20 0 GBADMM Cc1onc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348189 948068133 /nfs/dbraw/zinc/06/81/33/948068133.db2.gz ZKZZAGVQGVKLEU-UHFFFAOYSA-N -1 1 391.413 -0.288 20 0 GBADMM Cc1onc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348189 948068122 /nfs/dbraw/zinc/06/81/22/948068122.db2.gz ZKZZAGVQGVKLEU-UHFFFAOYSA-N -1 1 391.413 -0.288 20 0 GBADMM Cc1onc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1-c1nn[n-]n1 ZINC000826348200 948067215 /nfs/dbraw/zinc/06/72/15/948067215.db2.gz ACWPCGUUJBCTQW-UHFFFAOYSA-N -1 1 383.372 -0.324 20 0 GBADMM Cc1onc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1-c1nnn[n-]1 ZINC000826348200 948067206 /nfs/dbraw/zinc/06/72/06/948067206.db2.gz ACWPCGUUJBCTQW-UHFFFAOYSA-N -1 1 383.372 -0.324 20 0 GBADMM Cc1onc(CC(=O)Nc2ccc(CC(=O)NCCO)cc2)c1-c1nn[n-]n1 ZINC000826348483 948076956 /nfs/dbraw/zinc/07/69/56/948076956.db2.gz OKHWCZMXUWXDTJ-UHFFFAOYSA-N -1 1 385.384 -0.005 20 0 GBADMM Cc1onc(CC(=O)Nc2ccc(CC(=O)NCCO)cc2)c1-c1nnn[n-]1 ZINC000826348483 948076949 /nfs/dbraw/zinc/07/69/49/948076949.db2.gz OKHWCZMXUWXDTJ-UHFFFAOYSA-N -1 1 385.384 -0.005 20 0 GBADMM Cc1onc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1-c1nn[nH]n1 ZINC000826348644 609471659 /nfs/dbraw/zinc/47/16/59/609471659.db2.gz WYDMHQPMMFKTMF-UHFFFAOYSA-N -1 1 379.358 -0.303 20 0 GBADMM Cc1onc(CC(=O)Nc2cnn(CCN3CCOCC3)c2)c1-c1nn[n-]n1 ZINC000826348824 948083041 /nfs/dbraw/zinc/08/30/41/948083041.db2.gz GZPCYMZVKOQCDC-UHFFFAOYSA-N -1 1 387.404 -0.127 20 0 GBADMM Cc1onc(CC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1-c1nn[n-]n1 ZINC000826348906 948082279 /nfs/dbraw/zinc/08/22/79/948082279.db2.gz LHIZWXBLSHOYAN-UHFFFAOYSA-N -1 1 397.355 -0.710 20 0 GBADMM Cc1onc(CC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1-c1nnn[n-]1 ZINC000826348906 948082269 /nfs/dbraw/zinc/08/22/69/948082269.db2.gz LHIZWXBLSHOYAN-UHFFFAOYSA-N -1 1 397.355 -0.710 20 0 GBADMM Cc1onc(CC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c1-c1nn[n-]n1 ZINC000826348979 948085355 /nfs/dbraw/zinc/08/53/55/948085355.db2.gz ONRACEFZQLBFQU-UHFFFAOYSA-N -1 1 398.383 -0.050 20 0 GBADMM Cc1onc(CC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c1-c1nnn[n-]1 ZINC000826348979 948085346 /nfs/dbraw/zinc/08/53/46/948085346.db2.gz ONRACEFZQLBFQU-UHFFFAOYSA-N -1 1 398.383 -0.050 20 0 GBADMM Cc1onc(CC(=O)Nc2ccn(CCN3CCOCC3)n2)c1-c1nn[n-]n1 ZINC000826348995 948084819 /nfs/dbraw/zinc/08/48/19/948084819.db2.gz PFGHYYHAPAVWFW-UHFFFAOYSA-N -1 1 387.404 -0.127 20 0 GBADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)NCCC(N)=O)c1-c1nn[n-]n1 ZINC000826349013 948085326 /nfs/dbraw/zinc/08/53/26/948085326.db2.gz PUBNFOHTYZZPNN-UHFFFAOYSA-N -1 1 398.383 -0.050 20 0 GBADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)NCCC(N)=O)c1-c1nnn[n-]1 ZINC000826349013 948085315 /nfs/dbraw/zinc/08/53/15/948085315.db2.gz PUBNFOHTYZZPNN-UHFFFAOYSA-N -1 1 398.383 -0.050 20 0 GBADMM Cc1onc(CC(=O)Nc2cccc(NS(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826349153 948091158 /nfs/dbraw/zinc/09/11/58/948091158.db2.gz WYILNMLVBJCABX-UHFFFAOYSA-N -1 1 378.374 -0.040 20 0 GBADMM Cc1onc(CC(=O)Nc2cccc(NS(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826349153 948091154 /nfs/dbraw/zinc/09/11/54/948091154.db2.gz WYILNMLVBJCABX-UHFFFAOYSA-N -1 1 378.374 -0.040 20 0 GBADMM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cnc21 ZINC000826354426 607597849 /nfs/dbraw/zinc/59/78/49/607597849.db2.gz CMLQSADBQCARPK-UHFFFAOYSA-N -1 1 380.324 -0.034 20 0 GBADMM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cnc21 ZINC000826354426 607597848 /nfs/dbraw/zinc/59/78/48/607597848.db2.gz CMLQSADBQCARPK-UHFFFAOYSA-N -1 1 380.324 -0.034 20 0 GBADMM Cn1c2[nH]c(COC(=O)c3sccc3-c3nn[n-]n3)nc2c(=O)n(C)c1=O ZINC000826354522 608146539 /nfs/dbraw/zinc/14/65/39/608146539.db2.gz IPOVJFZTXMBHLI-UHFFFAOYSA-N -1 1 388.369 -0.441 20 0 GBADMM Cn1c2[nH]c(COC(=O)c3ccc(-c4nn[n-]n4)s3)nc2c(=O)n(C)c1=O ZINC000826354818 608147310 /nfs/dbraw/zinc/14/73/10/608147310.db2.gz WKLFVLQMCRITLZ-UHFFFAOYSA-N -1 1 388.369 -0.441 20 0 GBADMM Cn1c2[nH]c(COC(=O)c3ccc(-c4nnn[n-]4)s3)nc2c(=O)n(C)c1=O ZINC000826354818 608147309 /nfs/dbraw/zinc/14/73/09/608147309.db2.gz WKLFVLQMCRITLZ-UHFFFAOYSA-N -1 1 388.369 -0.441 20 0 GBADMM Cn1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000826354839 607604514 /nfs/dbraw/zinc/60/45/14/607604514.db2.gz XPRNEAPGNZRQLH-UHFFFAOYSA-N -1 1 396.367 -0.492 20 0 GBADMM Cn1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000826354839 607604513 /nfs/dbraw/zinc/60/45/13/607604513.db2.gz XPRNEAPGNZRQLH-UHFFFAOYSA-N -1 1 396.367 -0.492 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)C[C@H](O)c2ccccc2)n(C)c1=O ZINC000826355478 607820680 /nfs/dbraw/zinc/82/06/80/607820680.db2.gz BOGJEMJIWDECJN-NEPJUHHUSA-N -1 1 387.400 -0.839 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)C[C@@H](O)c2ccccc2)n(C)c1=O ZINC000826355479 607821086 /nfs/dbraw/zinc/82/10/86/607821086.db2.gz BOGJEMJIWDECJN-NWDGAFQWSA-N -1 1 387.400 -0.839 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)C[C@H](O)c2ccccc2)n(C)c1=O ZINC000826355480 607821161 /nfs/dbraw/zinc/82/11/61/607821161.db2.gz BOGJEMJIWDECJN-RYUDHWBXSA-N -1 1 387.400 -0.839 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)C[C@@H](O)c2ccccc2)n(C)c1=O ZINC000826355481 607820940 /nfs/dbraw/zinc/82/09/40/607820940.db2.gz BOGJEMJIWDECJN-VXGBXAGGSA-N -1 1 387.400 -0.839 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCN(c3ncccc3F)CC2)n(C)c1=O ZINC000826355486 608051833 /nfs/dbraw/zinc/05/18/33/608051833.db2.gz BSBOGQXHIBAGFF-UHFFFAOYSA-N -1 1 387.379 -0.875 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](C[C@@H]3CCOC3)C2)n(C)c1=O ZINC000826355571 608296638 /nfs/dbraw/zinc/29/66/38/608296638.db2.gz FZGMYAJCBCJGKR-NEPJUHHUSA-N -1 1 375.433 -0.093 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](C[C@H]3CCOC3)C2)n(C)c1=O ZINC000826355572 608296524 /nfs/dbraw/zinc/29/65/24/608296524.db2.gz FZGMYAJCBCJGKR-NWDGAFQWSA-N -1 1 375.433 -0.093 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n(C)c1=O ZINC000826355573 608296368 /nfs/dbraw/zinc/29/63/68/608296368.db2.gz FZGMYAJCBCJGKR-RYUDHWBXSA-N -1 1 375.433 -0.093 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](C[C@H]3CCOC3)C2)n(C)c1=O ZINC000826355574 608296272 /nfs/dbraw/zinc/29/62/72/608296272.db2.gz FZGMYAJCBCJGKR-VXGBXAGGSA-N -1 1 375.433 -0.093 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@](O)(c3ccc(F)cc3)C2)n(C)c1=O ZINC000826355575 609170116 /nfs/dbraw/zinc/17/01/16/609170116.db2.gz GCJSMHGTAOUFBJ-KRWDZBQOSA-N -1 1 387.375 -0.499 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@](O)(c3ccc(F)cc3)C2)n(C)c1=O ZINC000826355576 609169651 /nfs/dbraw/zinc/16/96/51/609169651.db2.gz GCJSMHGTAOUFBJ-QGZVFWFLSA-N -1 1 387.375 -0.499 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cccnc2OCC(F)F)n(C)c1=O ZINC000826355589 608150550 /nfs/dbraw/zinc/15/05/50/608150550.db2.gz GQVVMLBNXPRQIV-UHFFFAOYSA-N -1 1 394.342 -0.085 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc(N3CCOC3=O)cc2)n(C)c1=O ZINC000826355596 948108570 /nfs/dbraw/zinc/10/85/70/948108570.db2.gz GXILCROJEUUEBK-UHFFFAOYSA-N -1 1 398.383 -0.167 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCN(c3cccnc3)C2=O)n(C)c1=O ZINC000826355600 609598773 /nfs/dbraw/zinc/59/87/73/609598773.db2.gz HFIKIZOWISWUSO-LLVKDONJSA-N -1 1 397.399 -0.733 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCN(c3cccnc3)C2=O)n(C)c1=O ZINC000826355601 609599079 /nfs/dbraw/zinc/59/90/79/609599079.db2.gz HFIKIZOWISWUSO-NSHDSACASA-N -1 1 397.399 -0.733 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)n(C)c1=O ZINC000826355626 608233770 /nfs/dbraw/zinc/23/37/70/608233770.db2.gz HRWQUPACQJMGHQ-JTQLQIEISA-N -1 1 398.431 -0.356 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)n(C)c1=O ZINC000826355627 608233807 /nfs/dbraw/zinc/23/38/07/608233807.db2.gz HRWQUPACQJMGHQ-SNVBAGLBSA-N -1 1 398.431 -0.356 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](C3(C)OCCO3)C2)n(C)c1=O ZINC000826355633 948108188 /nfs/dbraw/zinc/10/81/88/948108188.db2.gz IASXQCHXDSNGPO-JTQLQIEISA-N -1 1 377.405 -0.757 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](C3(C)OCCO3)C2)n(C)c1=O ZINC000826355634 948109071 /nfs/dbraw/zinc/10/90/71/948109071.db2.gz IASXQCHXDSNGPO-SNVBAGLBSA-N -1 1 377.405 -0.757 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)n(C)c1=O ZINC000826355640 607937038 /nfs/dbraw/zinc/93/70/38/607937038.db2.gz IFJYVXZVAFNZOM-NEPJUHHUSA-N -1 1 387.375 -0.285 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)n(C)c1=O ZINC000826355641 607937004 /nfs/dbraw/zinc/93/70/04/607937004.db2.gz IFJYVXZVAFNZOM-NWDGAFQWSA-N -1 1 387.375 -0.285 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)n(C)c1=O ZINC000826355642 607937044 /nfs/dbraw/zinc/93/70/44/607937044.db2.gz IFJYVXZVAFNZOM-RYUDHWBXSA-N -1 1 387.375 -0.285 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n(C)c1=O ZINC000826355643 607936914 /nfs/dbraw/zinc/93/69/14/607936914.db2.gz IFJYVXZVAFNZOM-VXGBXAGGSA-N -1 1 387.375 -0.285 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(C3CCOCC3)CC2)n(C)c1=O ZINC000826355646 607738986 /nfs/dbraw/zinc/73/89/86/607738986.db2.gz IHORIWRJQBNMHH-UHFFFAOYSA-N -1 1 375.433 -0.093 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2COC3(CCCCC3)O2)n(C)c1=O ZINC000826355661 948109536 /nfs/dbraw/zinc/10/95/36/948109536.db2.gz IUDSUIAMSDPKSL-JTQLQIEISA-N -1 1 377.405 -0.248 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2COC3(CCCCC3)O2)n(C)c1=O ZINC000826355662 948108310 /nfs/dbraw/zinc/10/83/10/948108310.db2.gz IUDSUIAMSDPKSL-SNVBAGLBSA-N -1 1 377.405 -0.248 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCNC(=O)NC2CCCCC2)n(C)c1=O ZINC000826355680 608194094 /nfs/dbraw/zinc/19/40/94/608194094.db2.gz JCPAFDZATJGFNF-UHFFFAOYSA-N -1 1 391.436 -0.692 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCN(c3ccc(F)cn3)CC2)n(C)c1=O ZINC000826355729 608414041 /nfs/dbraw/zinc/41/40/41/608414041.db2.gz LBHVEROSLDEKEY-UHFFFAOYSA-N -1 1 387.379 -0.875 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@]3(CCc4ccccc43)C2)n(C)c1=O ZINC000826355794 607811398 /nfs/dbraw/zinc/81/13/98/607811398.db2.gz NJQAPURSJAYEBI-IBGZPJMESA-N -1 1 395.423 -0.058 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@]3(CCc4ccccc43)C2)n(C)c1=O ZINC000826355795 607811133 /nfs/dbraw/zinc/81/11/33/607811133.db2.gz NJQAPURSJAYEBI-LJQANCHMSA-N -1 1 395.423 -0.058 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](Cc3ccccc3)C2)n(C)c1=O ZINC000826355822 948109292 /nfs/dbraw/zinc/10/92/92/948109292.db2.gz OITUSBZFXVKRGF-CYBMUJFWSA-N -1 1 383.412 -0.288 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](Cc3ccccc3)C2)n(C)c1=O ZINC000826355823 948108349 /nfs/dbraw/zinc/10/83/49/948108349.db2.gz OITUSBZFXVKRGF-ZDUSSCGKSA-N -1 1 383.412 -0.288 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(OC[C@@H]3CCOC3)CC2)n(C)c1=O ZINC000826355859 948108921 /nfs/dbraw/zinc/10/89/21/948108921.db2.gz QBFOXOHWOBLEBP-LLVKDONJSA-N -1 1 391.432 -0.714 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(OC[C@H]3CCOC3)CC2)n(C)c1=O ZINC000826355860 948108539 /nfs/dbraw/zinc/10/85/39/948108539.db2.gz QBFOXOHWOBLEBP-NSHDSACASA-N -1 1 391.432 -0.714 20 0 GBADMM Cn1c(N[C@@H](CC(N)=O)C2CCCCC2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826355874 607934115 /nfs/dbraw/zinc/93/41/15/607934115.db2.gz QJNCDUKUIGQUSJ-JTQLQIEISA-N -1 1 376.421 -0.500 20 0 GBADMM Cn1c(N[C@H](CC(N)=O)C2CCCCC2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826355875 607934213 /nfs/dbraw/zinc/93/42/13/607934213.db2.gz QJNCDUKUIGQUSJ-SNVBAGLBSA-N -1 1 376.421 -0.500 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@](C)(O)c2ccc(F)cc2)n(C)c1=O ZINC000826355885 607968634 /nfs/dbraw/zinc/96/86/34/607968634.db2.gz RBACLZVLXNZOPB-INIZCTEOSA-N -1 1 375.364 -0.277 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@](C)(O)c2ccc(F)cc2)n(C)c1=O ZINC000826355886 607968415 /nfs/dbraw/zinc/96/84/15/607968415.db2.gz RBACLZVLXNZOPB-MRXNPFEDSA-N -1 1 375.364 -0.277 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](OCc3ccncc3)C2)n(C)c1=O ZINC000826355920 607728685 /nfs/dbraw/zinc/72/86/85/607728685.db2.gz SNIGCKKRPTVGTQ-GFCCVEGCSA-N -1 1 384.400 -0.545 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](OCc3ccncc3)C2)n(C)c1=O ZINC000826355921 607728962 /nfs/dbraw/zinc/72/89/62/607728962.db2.gz SNIGCKKRPTVGTQ-LBPRGKRZSA-N -1 1 384.400 -0.545 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(O)(C(F)(F)F)CC2)n(C)c1=O ZINC000826355945 608017534 /nfs/dbraw/zinc/01/75/34/608017534.db2.gz UOGGXUZTAKVJGW-UHFFFAOYSA-N -1 1 375.311 -0.842 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(=O)N(Cc3ccccc3)C2)n(C)c1=O ZINC000826355959 608124240 /nfs/dbraw/zinc/12/42/40/608124240.db2.gz UXXWSKAEBNTVLZ-UHFFFAOYSA-N -1 1 382.384 -0.930 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)Cc2ccc(F)cc2)n(C)c1=O ZINC000826355979 608305427 /nfs/dbraw/zinc/30/54/27/608305427.db2.gz VVRGPFXNTBZQSU-LLVKDONJSA-N -1 1 375.364 -0.581 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)Cc2ccc(F)cc2)n(C)c1=O ZINC000826355980 608305913 /nfs/dbraw/zinc/30/59/13/608305913.db2.gz VVRGPFXNTBZQSU-NSHDSACASA-N -1 1 375.364 -0.581 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCN2C(=O)OC(C)(C)C)n(C)c1=O ZINC000826355985 608077428 /nfs/dbraw/zinc/07/74/28/608077428.db2.gz WAKCBUFDLJIMGC-UHFFFAOYSA-N -1 1 378.393 -0.374 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCc2nnc3n2CCCC3)n(C)c1=O ZINC000826356041 608194244 /nfs/dbraw/zinc/19/42/44/608194244.db2.gz YACDZNKTMXJKGX-UHFFFAOYSA-N -1 1 386.420 -0.763 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2CN(C(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000826356064 608098981 /nfs/dbraw/zinc/09/89/81/608098981.db2.gz YVZJBDHTZSAURP-UHFFFAOYSA-N -1 1 392.420 -0.457 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](c3nncn3C3CC3)C2)n(C)c1=O ZINC000826356095 608667333 /nfs/dbraw/zinc/66/73/33/608667333.db2.gz ZVFGWOPFHBHJLJ-JTQLQIEISA-N -1 1 398.431 -0.426 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3nncn3C3CC3)C2)n(C)c1=O ZINC000826356096 608667872 /nfs/dbraw/zinc/66/78/72/608667872.db2.gz ZVFGWOPFHBHJLJ-SNVBAGLBSA-N -1 1 398.431 -0.426 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1=O ZINC000826356128 608095966 /nfs/dbraw/zinc/09/59/66/608095966.db2.gz BLTRYWKYWFCPBP-UHFFFAOYSA-N -1 1 395.379 -0.160 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCc2cc(F)cc(F)c2)c1=O ZINC000826356178 608096504 /nfs/dbraw/zinc/09/65/04/608096504.db2.gz FGXATPOPIOPBNM-UHFFFAOYSA-N -1 1 377.311 -0.678 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1=O ZINC000826356205 608096414 /nfs/dbraw/zinc/09/64/14/608096414.db2.gz GJYCDNAXRBBSPP-MRVPVSSYSA-N -1 1 387.322 -0.472 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N2CCC[C@H](C(F)(F)F)C2)c1=O ZINC000826356206 608096459 /nfs/dbraw/zinc/09/64/59/608096459.db2.gz GJYCDNAXRBBSPP-QMMMGPOBSA-N -1 1 387.322 -0.472 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCCCOC2CCCCC2)c1=O ZINC000826356214 608096345 /nfs/dbraw/zinc/09/63/45/608096345.db2.gz GYCCBPHRECMNQG-UHFFFAOYSA-N -1 1 391.432 -0.417 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N(Cc2ccccc2)C2CC2)c1=O ZINC000826356276 608095814 /nfs/dbraw/zinc/09/58/14/608095814.db2.gz JQEPAMQQWWEXSY-UHFFFAOYSA-N -1 1 381.396 -0.082 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2ccc(N3CCOC3=O)cc2)c1=O ZINC000826356296 608096522 /nfs/dbraw/zinc/09/65/22/608096522.db2.gz KKVFVVQRMZYHMI-UHFFFAOYSA-N -1 1 397.351 -0.433 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2ccc3c(c2)CCN3C=O)c1=O ZINC000826356332 608096516 /nfs/dbraw/zinc/09/65/16/608096516.db2.gz LTUQNNVTINRPHH-UHFFFAOYSA-N -1 1 381.352 -0.871 20 0 GBADMM Cn1c(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nnc1C1CCC1 ZINC000826356339 609391237 /nfs/dbraw/zinc/39/12/37/609391237.db2.gz MAINGHMPUNYZSD-UHFFFAOYSA-N -1 1 375.418 -0.189 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCS(=O)(=O)c2ccccc2)c1=O ZINC000826356357 608096408 /nfs/dbraw/zinc/09/64/08/608096408.db2.gz MZYRCYBCIUQBEF-UHFFFAOYSA-N -1 1 376.398 -0.409 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCCOc2ccc(F)cc2)c1=O ZINC000826356372 608096528 /nfs/dbraw/zinc/09/65/28/608096528.db2.gz NSWMYIBVFRFMJX-UHFFFAOYSA-N -1 1 389.347 -0.939 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCS(=O)(=O)c2ccc(F)cc2)c1=O ZINC000826356391 608096576 /nfs/dbraw/zinc/09/65/76/608096576.db2.gz OMIRKMQBFKDLEO-UHFFFAOYSA-N -1 1 394.388 -0.270 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NC2(c3ccccc3)CCC2)c1=O ZINC000826356400 608095933 /nfs/dbraw/zinc/09/59/33/608095933.db2.gz OYBBCGLVUXABBI-UHFFFAOYSA-N -1 1 381.396 -0.077 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O ZINC000826356415 608096005 /nfs/dbraw/zinc/09/60/05/608096005.db2.gz PNLBNSGHNLONAW-JTQLQIEISA-N -1 1 377.405 -0.016 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O ZINC000826356416 608095883 /nfs/dbraw/zinc/09/58/83/608095883.db2.gz PNLBNSGHNLONAW-SNVBAGLBSA-N -1 1 377.405 -0.016 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cc3c(cc2F)NC(=O)CC3)c1=O ZINC000826356442 608095939 /nfs/dbraw/zinc/09/59/39/608095939.db2.gz QPMRFUVNEDCMBV-UHFFFAOYSA-N -1 1 399.342 -0.366 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCCOc2cccc(F)c2)c1=O ZINC000826356444 608096336 /nfs/dbraw/zinc/09/63/36/608096336.db2.gz QTASFNHREKHKAE-UHFFFAOYSA-N -1 1 389.347 -0.939 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCCc2c(F)cccc2F)c1=O ZINC000826356510 608096588 /nfs/dbraw/zinc/09/65/88/608096588.db2.gz ULGALTORVMITOI-UHFFFAOYSA-N -1 1 391.338 -0.636 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cnn(-c3ccccc3)c2)c1=O ZINC000826356581 608096369 /nfs/dbraw/zinc/09/63/69/608096369.db2.gz XBWVYQJRBLPMPR-UHFFFAOYSA-N -1 1 378.352 -0.204 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(-c3ccc4c(c3)OCO4)no2)c1=O ZINC000826356809 608096492 /nfs/dbraw/zinc/09/64/92/608096492.db2.gz GSBSWCBWFYVRSV-UHFFFAOYSA-N -1 1 396.323 -0.446 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(CCc3ccccc3)no2)c1=O ZINC000826356838 608096546 /nfs/dbraw/zinc/09/65/46/608096546.db2.gz HZQKOHUYRWFYTK-UHFFFAOYSA-N -1 1 380.368 -0.056 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNS(=O)(=O)c2cccs2)n1 ZINC000826356887 607620458 /nfs/dbraw/zinc/62/04/58/607620458.db2.gz JZEQDLHPKIBJCP-UHFFFAOYSA-N -1 1 397.446 -0.238 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNS(=O)(=O)c2cccs2)n1 ZINC000826356887 607620456 /nfs/dbraw/zinc/62/04/56/607620456.db2.gz JZEQDLHPKIBJCP-UHFFFAOYSA-N -1 1 397.446 -0.238 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 ZINC000826356916 609406115 /nfs/dbraw/zinc/40/61/15/609406115.db2.gz KQYAXKYTPQDFBB-UHFFFAOYSA-N -1 1 395.449 -0.322 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 ZINC000826356916 609406113 /nfs/dbraw/zinc/40/61/13/609406113.db2.gz KQYAXKYTPQDFBB-UHFFFAOYSA-N -1 1 395.449 -0.322 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2cccc(S(C)(=O)=O)c2)c1=O ZINC000826356985 608095748 /nfs/dbraw/zinc/09/57/48/608095748.db2.gz MWCIMHXAHXJOEE-UHFFFAOYSA-N -1 1 392.397 -0.790 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)n1 ZINC000826356991 948110555 /nfs/dbraw/zinc/11/05/55/948110555.db2.gz NAGOKHWPFCLJAF-LLVKDONJSA-N -1 1 399.419 -0.354 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)n1 ZINC000826356991 948110548 /nfs/dbraw/zinc/11/05/48/948110548.db2.gz NAGOKHWPFCLJAF-LLVKDONJSA-N -1 1 399.419 -0.354 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)n1 ZINC000826356992 948110852 /nfs/dbraw/zinc/11/08/52/948110852.db2.gz NAGOKHWPFCLJAF-NSHDSACASA-N -1 1 399.419 -0.354 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)n1 ZINC000826356992 948110845 /nfs/dbraw/zinc/11/08/45/948110845.db2.gz NAGOKHWPFCLJAF-NSHDSACASA-N -1 1 399.419 -0.354 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc(S(C)(=O)=O)cc2)c1=O ZINC000826357215 608096197 /nfs/dbraw/zinc/09/61/97/608096197.db2.gz WBFAQECBLCNURG-UHFFFAOYSA-N -1 1 392.397 -0.790 20 0 GBADMM Cn1cc(C(=O)C[C@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1 ZINC000826358255 608667657 /nfs/dbraw/zinc/66/76/57/608667657.db2.gz MFEOURZKMCGXJT-LLVKDONJSA-N -1 1 399.415 -0.761 20 0 GBADMM Cn1cc(C(=O)C[C@@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1 ZINC000826358256 608667814 /nfs/dbraw/zinc/66/78/14/608667814.db2.gz MFEOURZKMCGXJT-NSHDSACASA-N -1 1 399.415 -0.761 20 0 GBADMM Cn1cc(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nn1 ZINC000826360937 948128014 /nfs/dbraw/zinc/12/80/14/948128014.db2.gz DHAFOBYIVBTIJZ-UHFFFAOYSA-N -1 1 399.419 -0.108 20 0 GBADMM Cn1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(C(F)(F)F)n1 ZINC000826361668 607679114 /nfs/dbraw/zinc/67/91/14/607679114.db2.gz IBOLEXVVSKDAOX-UHFFFAOYSA-N -1 1 385.310 -0.372 20 0 GBADMM Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC000826362069 608423478 /nfs/dbraw/zinc/42/34/78/608423478.db2.gz BVSLBYKVANZHGW-UHFFFAOYSA-N -1 1 390.433 -0.345 20 0 GBADMM Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC000826362069 608423476 /nfs/dbraw/zinc/42/34/76/608423476.db2.gz BVSLBYKVANZHGW-UHFFFAOYSA-N -1 1 390.433 -0.345 20 0 GBADMM Cn1cc(S(=O)(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000826362167 607601526 /nfs/dbraw/zinc/60/15/26/607601526.db2.gz GQKKVEGNAPEIRQ-UHFFFAOYSA-N -1 1 378.374 -0.983 20 0 GBADMM Cn1cc(S(=O)(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000826362167 607601524 /nfs/dbraw/zinc/60/15/24/607601524.db2.gz GQKKVEGNAPEIRQ-UHFFFAOYSA-N -1 1 378.374 -0.983 20 0 GBADMM Cn1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826362330 607867626 /nfs/dbraw/zinc/86/76/26/607867626.db2.gz NTHHBPSEZUKSMR-UHFFFAOYSA-N -1 1 382.333 -0.829 20 0 GBADMM Cn1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000826362330 607867625 /nfs/dbraw/zinc/86/76/25/607867625.db2.gz NTHHBPSEZUKSMR-UHFFFAOYSA-N -1 1 382.333 -0.829 20 0 GBADMM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000826364498 948141350 /nfs/dbraw/zinc/14/13/50/948141350.db2.gz XXHPMUBFYGPAHH-CYBMUJFWSA-N -1 1 381.400 -0.084 20 0 GBADMM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000826364498 948141342 /nfs/dbraw/zinc/14/13/42/948141342.db2.gz XXHPMUBFYGPAHH-CYBMUJFWSA-N -1 1 381.400 -0.084 20 0 GBADMM Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000826364499 948142546 /nfs/dbraw/zinc/14/25/46/948142546.db2.gz XXHPMUBFYGPAHH-ZDUSSCGKSA-N -1 1 381.400 -0.084 20 0 GBADMM Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000826364499 948142542 /nfs/dbraw/zinc/14/25/42/948142542.db2.gz XXHPMUBFYGPAHH-ZDUSSCGKSA-N -1 1 381.400 -0.084 20 0 GBADMM Cn1cnc(S(=O)(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000826364683 607997558 /nfs/dbraw/zinc/99/75/58/607997558.db2.gz GEAMSYNGPMQAPS-UHFFFAOYSA-N -1 1 378.374 -0.777 20 0 GBADMM Cn1cnc(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000826364718 608585372 /nfs/dbraw/zinc/58/53/72/608585372.db2.gz HXHBAZVXUKIJCA-UHFFFAOYSA-N -1 1 399.419 -0.108 20 0 GBADMM Cn1cnc(S(=O)(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826364769 607612657 /nfs/dbraw/zinc/61/26/57/607612657.db2.gz KIOJQAQLVRSQAD-UHFFFAOYSA-N -1 1 378.374 -0.983 20 0 GBADMM Cn1cnn(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1=O ZINC000826365388 609289575 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20 0 GBADMM Cn1[nH]cnc1=NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826367099 608339501 /nfs/dbraw/zinc/33/95/01/608339501.db2.gz LUSCKCGYBGZCEV-UHFFFAOYSA-N -1 1 385.392 -0.363 20 0 GBADMM NC(=O)C1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCOCC1 ZINC000826389328 607587409 /nfs/dbraw/zinc/58/74/09/607587409.db2.gz VOWOHIDAKCSRMK-UHFFFAOYSA-N -1 1 384.393 -0.434 20 0 GBADMM NC(=O)[C@H]1COCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826389611 608807486 /nfs/dbraw/zinc/80/74/86/608807486.db2.gz CJSGQKXAWNIHIQ-CYBMUJFWSA-N -1 1 397.399 -0.823 20 0 GBADMM NC(=O)[C@H]1COCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826389611 608807485 /nfs/dbraw/zinc/80/74/85/608807485.db2.gz CJSGQKXAWNIHIQ-CYBMUJFWSA-N -1 1 397.399 -0.823 20 0 GBADMM NC(=O)[C@@H]1COCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826389612 608807291 /nfs/dbraw/zinc/80/72/91/608807291.db2.gz CJSGQKXAWNIHIQ-ZDUSSCGKSA-N -1 1 397.399 -0.823 20 0 GBADMM NC(=O)[C@@H]1COCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826389612 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O=C(Cn1ccnc1-c1nn[n-]n1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000826425000 608890802 /nfs/dbraw/zinc/89/08/02/608890802.db2.gz LVMPPSGWDNVIJM-VXGBXAGGSA-N -1 1 395.445 -0.742 20 0 GBADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000826425000 608890799 /nfs/dbraw/zinc/89/07/99/608890799.db2.gz LVMPPSGWDNVIJM-VXGBXAGGSA-N -1 1 395.445 -0.742 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000826425049 608203328 /nfs/dbraw/zinc/20/33/28/608203328.db2.gz ODCGMKSORTWODG-CYBMUJFWSA-N -1 1 393.371 -0.323 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000826425050 608203209 /nfs/dbraw/zinc/20/32/09/608203209.db2.gz ODCGMKSORTWODG-ZDUSSCGKSA-N -1 1 393.371 -0.323 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000826425093 608074939 /nfs/dbraw/zinc/07/49/39/608074939.db2.gz PPNYJXSVMFZYOD-UHFFFAOYSA-N -1 1 393.415 -0.321 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000826425499 948275477 /nfs/dbraw/zinc/27/54/77/948275477.db2.gz HBEGMVVKTXULHE-MRVPVSSYSA-N -1 1 389.326 -0.342 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000826425500 948274607 /nfs/dbraw/zinc/27/46/07/948274607.db2.gz HBEGMVVKTXULHE-QMMMGPOBSA-N -1 1 389.326 -0.342 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccncc1I ZINC000826425571 609415866 /nfs/dbraw/zinc/41/58/66/609415866.db2.gz JYIMAYZOSXTUBK-UHFFFAOYSA-N -1 1 397.140 -0.482 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000826425608 608074175 /nfs/dbraw/zinc/07/41/75/608074175.db2.gz LBVOADFXJPCLBI-CYBMUJFWSA-N -1 1 381.400 -0.234 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000826425609 608074298 /nfs/dbraw/zinc/07/42/98/608074298.db2.gz LBVOADFXJPCLBI-ZDUSSCGKSA-N -1 1 381.400 -0.234 20 0 GBADMM O=C(Cn1cnnn1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826425654 608176447 /nfs/dbraw/zinc/17/64/47/608176447.db2.gz NANCOILFXFDPQU-UHFFFAOYSA-N -1 1 381.813 -0.688 20 0 GBADMM O=C(Cn1cnnn1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826425654 608176446 /nfs/dbraw/zinc/17/64/46/608176446.db2.gz NANCOILFXFDPQU-UHFFFAOYSA-N -1 1 381.813 -0.688 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000826425879 608074268 /nfs/dbraw/zinc/07/42/68/608074268.db2.gz XYYSRPKRJNOZCS-LLVKDONJSA-N -1 1 385.363 -0.091 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000826425880 608074244 /nfs/dbraw/zinc/07/42/44/608074244.db2.gz XYYSRPKRJNOZCS-NSHDSACASA-N -1 1 385.363 -0.091 20 0 GBADMM O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826432417 608201820 /nfs/dbraw/zinc/20/18/20/608201820.db2.gz AGHCZPWZMQJYRG-GFCCVEGCSA-N -1 1 382.388 -0.484 20 0 GBADMM O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826432418 608201875 /nfs/dbraw/zinc/20/18/75/608201875.db2.gz AGHCZPWZMQJYRG-LBPRGKRZSA-N -1 1 382.388 -0.484 20 0 GBADMM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826433997 607768606 /nfs/dbraw/zinc/76/86/06/607768606.db2.gz YZLFFQRRNZRRAZ-JTQLQIEISA-N -1 1 394.438 -0.112 20 0 GBADMM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826433997 607768605 /nfs/dbraw/zinc/76/86/05/607768605.db2.gz YZLFFQRRNZRRAZ-JTQLQIEISA-N -1 1 394.438 -0.112 20 0 GBADMM O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826433998 607768510 /nfs/dbraw/zinc/76/85/10/607768510.db2.gz YZLFFQRRNZRRAZ-SNVBAGLBSA-N -1 1 394.438 -0.112 20 0 GBADMM O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826433998 607768509 /nfs/dbraw/zinc/76/85/09/607768509.db2.gz YZLFFQRRNZRRAZ-SNVBAGLBSA-N -1 1 394.438 -0.112 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000826435457 608195852 /nfs/dbraw/zinc/19/58/52/608195852.db2.gz OODJKKDHIYJNST-UHFFFAOYSA-N -1 1 396.415 -0.478 20 0 GBADMM O=C(NCCO)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826438444 608566477 /nfs/dbraw/zinc/56/64/77/608566477.db2.gz CNXCWTJWRBCRMS-UHFFFAOYSA-N -1 1 398.420 -0.485 20 0 GBADMM O=C(NCCO)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826438468 608566053 /nfs/dbraw/zinc/56/60/53/608566053.db2.gz DRTLWIFABFOFOJ-UHFFFAOYSA-N -1 1 398.420 -0.485 20 0 GBADMM O=C(NCCO)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826438468 608566051 /nfs/dbraw/zinc/56/60/51/608566051.db2.gz DRTLWIFABFOFOJ-UHFFFAOYSA-N -1 1 398.420 -0.485 20 0 GBADMM O=C(NCCn1ncnn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826440693 609358839 /nfs/dbraw/zinc/35/88/39/609358839.db2.gz XECUFVLGDMCKHF-UHFFFAOYSA-N -1 1 384.339 0.000 20 0 GBADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1CCOCC1 ZINC000826458408 609354108 /nfs/dbraw/zinc/35/41/08/609354108.db2.gz OJIFHJFBXCPSEV-UHFFFAOYSA-N -1 1 386.347 -0.011 20 0 GBADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1CC[C@@H](O)C1 ZINC000826458465 609369590 /nfs/dbraw/zinc/36/95/90/609369590.db2.gz QWQVBQLZUBDIFP-SECBINFHSA-N -1 1 386.347 -0.277 20 0 GBADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1CC[C@H](O)C1 ZINC000826458466 609369152 /nfs/dbraw/zinc/36/91/52/609369152.db2.gz QWQVBQLZUBDIFP-VIFPVBQESA-N -1 1 386.347 -0.277 20 0 GBADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000826467433 607596784 /nfs/dbraw/zinc/59/67/84/607596784.db2.gz VZRYPNKNPSJTAE-UHFFFAOYSA-N -1 1 388.369 -0.725 20 0 GBADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1=NC=CN2CCS(=O)(=O)N=C12 ZINC000826467433 607596782 /nfs/dbraw/zinc/59/67/82/607596782.db2.gz VZRYPNKNPSJTAE-UHFFFAOYSA-N -1 1 388.369 -0.725 20 0 GBADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826472521 609423671 /nfs/dbraw/zinc/42/36/71/609423671.db2.gz MWMIAHSEXZNYMH-UHFFFAOYSA-N -1 1 377.430 -0.052 20 0 GBADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826472521 609423669 /nfs/dbraw/zinc/42/36/69/609423669.db2.gz MWMIAHSEXZNYMH-UHFFFAOYSA-N -1 1 377.430 -0.052 20 0 GBADMM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826475108 608216858 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JZTNIECTJWJFNI-MFKMUULPSA-N -1 1 377.430 -0.059 20 0 GBADMM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1 ZINC000826478809 608112051 /nfs/dbraw/zinc/11/20/51/608112051.db2.gz JZTNIECTJWJFNI-MFKMUULPSA-N -1 1 377.430 -0.059 20 0 GBADMM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CN1 ZINC000826478810 608111816 /nfs/dbraw/zinc/11/18/16/608111816.db2.gz JZTNIECTJWJFNI-ZWNOBZJWSA-N -1 1 377.430 -0.059 20 0 GBADMM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1 ZINC000826478810 608111815 /nfs/dbraw/zinc/11/18/15/608111815.db2.gz JZTNIECTJWJFNI-ZWNOBZJWSA-N -1 1 377.430 -0.059 20 0 GBADMM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826479813 607610488 /nfs/dbraw/zinc/61/04/88/607610488.db2.gz IZACBOHXNOWZSO-UHFFFAOYSA-N -1 1 382.377 -0.177 20 0 GBADMM O=C1CCC(=O)N1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826480013 607615509 /nfs/dbraw/zinc/61/55/09/607615509.db2.gz OUHZZLFGOXMQCM-UHFFFAOYSA-N -1 1 384.805 -0.053 20 0 GBADMM O=C1CCC(=O)N1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826480013 607615508 /nfs/dbraw/zinc/61/55/08/607615508.db2.gz OUHZZLFGOXMQCM-UHFFFAOYSA-N -1 1 384.805 -0.053 20 0 GBADMM O=C1CCC(=O)N1CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826480191 607610564 /nfs/dbraw/zinc/61/05/64/607610564.db2.gz UAAMOMPHSZJGKP-UHFFFAOYSA-N -1 1 382.377 -0.177 20 0 GBADMM O=C1CCC(=O)N1CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826480191 607610563 /nfs/dbraw/zinc/61/05/63/607610563.db2.gz UAAMOMPHSZJGKP-UHFFFAOYSA-N -1 1 382.377 -0.177 20 0 GBADMM O=C(CN1CC(=O)NC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826481069 609314083 /nfs/dbraw/zinc/31/40/83/609314083.db2.gz FTBRGLXYHKSHFL-UHFFFAOYSA-N -1 1 385.319 -0.318 20 0 GBADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1CCNC(=O)C1 ZINC000826481071 609354546 /nfs/dbraw/zinc/35/45/46/609354546.db2.gz FUROKTVWBUGXHS-UHFFFAOYSA-N -1 1 399.346 -0.912 20 0 GBADMM O=C1CNC(=O)N1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826481183 607612117 /nfs/dbraw/zinc/61/21/17/607612117.db2.gz KJGMXAOWCJDCGR-UHFFFAOYSA-N -1 1 399.820 -0.260 20 0 GBADMM O=C1CNC(=O)N1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826481183 607612115 /nfs/dbraw/zinc/61/21/15/607612115.db2.gz KJGMXAOWCJDCGR-UHFFFAOYSA-N -1 1 399.820 -0.260 20 0 GBADMM O=C1CN(CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCN1 ZINC000826481191 609447694 /nfs/dbraw/zinc/44/76/94/609447694.db2.gz KSIFHZDNMJRLPZ-UHFFFAOYSA-N -1 1 383.409 -0.894 20 0 GBADMM O=C1CNC(=O)N1CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826481316 607612410 /nfs/dbraw/zinc/61/24/10/607612410.db2.gz PMFJGNGPDMLSEY-UHFFFAOYSA-N -1 1 383.365 -0.774 20 0 GBADMM O=C1CNC(=O)N1CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826481316 607612409 /nfs/dbraw/zinc/61/24/09/607612409.db2.gz PMFJGNGPDMLSEY-UHFFFAOYSA-N -1 1 383.365 -0.774 20 0 GBADMM O=C1CN(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCN1 ZINC000826481324 609319240 /nfs/dbraw/zinc/31/92/40/609319240.db2.gz PVJKFDHCPRBPOF-UHFFFAOYSA-N -1 1 385.837 -0.770 20 0 GBADMM O=C1CN(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCN1 ZINC000826481324 609319238 /nfs/dbraw/zinc/31/92/38/609319238.db2.gz PVJKFDHCPRBPOF-UHFFFAOYSA-N -1 1 385.837 -0.770 20 0 GBADMM O=C1CN(CCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCN1 ZINC000826481342 608618553 /nfs/dbraw/zinc/61/85/53/608618553.db2.gz QMVZWAPNVHRXOX-UHFFFAOYSA-N -1 1 383.409 -0.894 20 0 GBADMM O=C1CN(CCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1 ZINC000826481342 608618552 /nfs/dbraw/zinc/61/85/52/608618552.db2.gz QMVZWAPNVHRXOX-UHFFFAOYSA-N -1 1 383.409 -0.894 20 0 GBADMM O=C(c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1)N1CCNC(=O)C1 ZINC000826481354 608400493 /nfs/dbraw/zinc/40/04/93/608400493.db2.gz QVUFDCVSNBZVJY-UHFFFAOYSA-N -1 1 379.384 -0.159 20 0 GBADMM O=C(c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1)N1CCNC(=O)C1 ZINC000826481354 608400491 /nfs/dbraw/zinc/40/04/91/608400491.db2.gz QVUFDCVSNBZVJY-UHFFFAOYSA-N -1 1 379.384 -0.159 20 0 GBADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCNC(=O)C1 ZINC000826481368 609281233 /nfs/dbraw/zinc/28/12/33/609281233.db2.gz RIHXCDMZNVECDU-UHFFFAOYSA-N -1 1 385.363 -0.438 20 0 GBADMM O=C1CNC(=O)N1CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826481385 607612418 /nfs/dbraw/zinc/61/24/18/607612418.db2.gz RURIJWXHVJQHAA-UHFFFAOYSA-N -1 1 383.365 -0.774 20 0 GBADMM O=C1CN(CCCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCN1 ZINC000826481390 609447827 /nfs/dbraw/zinc/44/78/27/609447827.db2.gz RYBCKPGJZKXDOO-UHFFFAOYSA-N -1 1 399.864 -0.380 20 0 GBADMM O=C1CN(CCCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCN1 ZINC000826481390 609447825 /nfs/dbraw/zinc/44/78/25/609447825.db2.gz RYBCKPGJZKXDOO-UHFFFAOYSA-N -1 1 399.864 -0.380 20 0 GBADMM O=C1CNC(=O)N1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826481450 607616173 /nfs/dbraw/zinc/61/61/73/607616173.db2.gz VGGSIPOGZWMIOI-UHFFFAOYSA-N -1 1 385.793 -0.650 20 0 GBADMM O=C1CNC(=O)N1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826481450 607616171 /nfs/dbraw/zinc/61/61/71/607616171.db2.gz VGGSIPOGZWMIOI-UHFFFAOYSA-N -1 1 385.793 -0.650 20 0 GBADMM O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CC2)N1 ZINC000826481658 607583855 /nfs/dbraw/zinc/58/38/55/607583855.db2.gz DUNXKWHUHCPLRS-UHFFFAOYSA-N -1 1 395.376 -0.632 20 0 GBADMM O=C1CSC(=O)N1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826481869 607593121 /nfs/dbraw/zinc/59/31/21/607593121.db2.gz KOEXWDOHWQHUPY-UHFFFAOYSA-N -1 1 386.390 -0.021 20 0 GBADMM O=C1CSC(=O)N1CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826481994 607592724 /nfs/dbraw/zinc/59/27/24/607592724.db2.gz OVMUVFRFGTVERP-UHFFFAOYSA-N -1 1 386.390 -0.021 20 0 GBADMM O=C1CSC(=O)N1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826481994 607592722 /nfs/dbraw/zinc/59/27/22/607592722.db2.gz OVMUVFRFGTVERP-UHFFFAOYSA-N -1 1 386.390 -0.021 20 0 GBADMM O=C1NC(=O)[C@]2(CCN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)C2)N1 ZINC000826482226 607620396 /nfs/dbraw/zinc/62/03/96/607620396.db2.gz WSAQYUJCPYIECN-CYBMUJFWSA-N -1 1 397.804 -0.507 20 0 GBADMM O=C1NC(=O)[C@]2(CCN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)C2)N1 ZINC000826482226 607620393 /nfs/dbraw/zinc/62/03/93/607620393.db2.gz WSAQYUJCPYIECN-CYBMUJFWSA-N -1 1 397.804 -0.507 20 0 GBADMM O=C1NC(=O)[C@@]2(CCN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)C2)N1 ZINC000826482227 607620206 /nfs/dbraw/zinc/62/02/06/607620206.db2.gz WSAQYUJCPYIECN-ZDUSSCGKSA-N -1 1 397.804 -0.507 20 0 GBADMM O=C1NC(=O)[C@@]2(CCN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)C2)N1 ZINC000826482227 607620205 /nfs/dbraw/zinc/62/02/05/607620205.db2.gz WSAQYUJCPYIECN-ZDUSSCGKSA-N -1 1 397.804 -0.507 20 0 GBADMM O=C1NC(=O)C2(CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CC2)N1 ZINC000826482276 607584048 /nfs/dbraw/zinc/58/40/48/607584048.db2.gz YHQNIUAEQLIVJJ-UHFFFAOYSA-N -1 1 395.376 -0.632 20 0 GBADMM O=C1NC(=O)C2(CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CC2)N1 ZINC000826482276 607584047 /nfs/dbraw/zinc/58/40/47/607584047.db2.gz YHQNIUAEQLIVJJ-UHFFFAOYSA-N -1 1 395.376 -0.632 20 0 GBADMM O=C1NCCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826482488 607690356 /nfs/dbraw/zinc/69/03/56/607690356.db2.gz GGSKLTZKFKORRA-UHFFFAOYSA-N -1 1 392.445 -0.170 20 0 GBADMM O=C1NCCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826482488 607690354 /nfs/dbraw/zinc/69/03/54/607690354.db2.gz GGSKLTZKFKORRA-UHFFFAOYSA-N -1 1 392.445 -0.170 20 0 GBADMM O=S(=O)([C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC000826483835 609493937 /nfs/dbraw/zinc/49/39/37/609493937.db2.gz BJYIAXUGQMTLNQ-LLVKDONJSA-N -1 1 380.434 -0.713 20 0 GBADMM O=S(=O)([C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC000826483835 609493936 /nfs/dbraw/zinc/49/39/36/609493936.db2.gz BJYIAXUGQMTLNQ-LLVKDONJSA-N -1 1 380.434 -0.713 20 0 GBADMM O=S(=O)([C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC000826483836 609494208 /nfs/dbraw/zinc/49/42/08/609494208.db2.gz BJYIAXUGQMTLNQ-NSHDSACASA-N -1 1 380.434 -0.713 20 0 GBADMM O=S(=O)([C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC000826483836 609494206 /nfs/dbraw/zinc/49/42/06/609494206.db2.gz BJYIAXUGQMTLNQ-NSHDSACASA-N -1 1 380.434 -0.713 20 0 GBADMM O=S(=O)([C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)N1CCOCC1 ZINC000826484159 609494192 /nfs/dbraw/zinc/49/41/92/609494192.db2.gz PZDIQYZKORLMCX-LLVKDONJSA-N -1 1 380.434 -0.713 20 0 GBADMM O=S(=O)([C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)N1CCOCC1 ZINC000826484159 609494191 /nfs/dbraw/zinc/49/41/91/609494191.db2.gz PZDIQYZKORLMCX-LLVKDONJSA-N -1 1 380.434 -0.713 20 0 GBADMM O=S(=O)([C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)N1CCOCC1 ZINC000826484160 609493890 /nfs/dbraw/zinc/49/38/90/609493890.db2.gz PZDIQYZKORLMCX-NSHDSACASA-N -1 1 380.434 -0.713 20 0 GBADMM O=S(=O)([C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)N1CCOCC1 ZINC000826484160 609493888 /nfs/dbraw/zinc/49/38/88/609493888.db2.gz PZDIQYZKORLMCX-NSHDSACASA-N -1 1 380.434 -0.713 20 0 GBADMM O=S(=O)([C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC000826484345 609494250 /nfs/dbraw/zinc/49/42/50/609494250.db2.gz ZHKLRAFQYVIASP-GFCCVEGCSA-N -1 1 379.446 -0.108 20 0 GBADMM O=S(=O)([C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1)N1CCOCC1 ZINC000826484345 609494247 /nfs/dbraw/zinc/49/42/47/609494247.db2.gz ZHKLRAFQYVIASP-GFCCVEGCSA-N -1 1 379.446 -0.108 20 0 GBADMM O=S(=O)([C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC000826484346 609493994 /nfs/dbraw/zinc/49/39/94/609493994.db2.gz ZHKLRAFQYVIASP-LBPRGKRZSA-N -1 1 379.446 -0.108 20 0 GBADMM O=S(=O)([C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1)N1CCOCC1 ZINC000826484346 609493993 /nfs/dbraw/zinc/49/39/93/609493993.db2.gz ZHKLRAFQYVIASP-LBPRGKRZSA-N -1 1 379.446 -0.108 20 0 GBADMM O=S(=O)(CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)NC1CC1 ZINC000826485090 607585685 /nfs/dbraw/zinc/58/56/85/607585685.db2.gz BRYKFYMMLOFUOX-UHFFFAOYSA-N -1 1 390.422 -0.634 20 0 GBADMM O=S(=O)(CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)NC1CC1 ZINC000826485614 607586010 /nfs/dbraw/zinc/58/60/10/607586010.db2.gz XPJJAZSMRAUIRG-UHFFFAOYSA-N -1 1 390.422 -0.634 20 0 GBADMM O=S(=O)(CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)NC1CC1 ZINC000826485614 607586008 /nfs/dbraw/zinc/58/60/08/607586008.db2.gz XPJJAZSMRAUIRG-UHFFFAOYSA-N -1 1 390.422 -0.634 20 0 GBADMM O=S(=O)(N1CCOCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826487129 608520408 /nfs/dbraw/zinc/52/04/08/608520408.db2.gz DRXLRHJISZBASS-UHFFFAOYSA-N -1 1 383.434 -0.846 20 0 GBADMM O=S(=O)(N1CCOCC1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826487129 608520407 /nfs/dbraw/zinc/52/04/07/608520407.db2.gz DRXLRHJISZBASS-UHFFFAOYSA-N -1 1 383.434 -0.846 20 0 GBADMM O=S(=O)(N1CCOCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826487278 608519910 /nfs/dbraw/zinc/51/99/10/608519910.db2.gz JOYKELGFCSYLEC-UHFFFAOYSA-N -1 1 399.502 -0.377 20 0 GBADMM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826487566 607507342 /nfs/dbraw/zinc/50/73/42/607507342.db2.gz RXAMQPLGCRZHPF-UHFFFAOYSA-N -1 1 390.429 -0.103 20 0 GBADMM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826487566 607507340 /nfs/dbraw/zinc/50/73/40/607507340.db2.gz RXAMQPLGCRZHPF-UHFFFAOYSA-N -1 1 390.429 -0.103 20 0 GBADMM O=S(=O)(N[C@@H]1CCCc2c1cnn2CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488509 607628240 /nfs/dbraw/zinc/62/82/40/607628240.db2.gz RKDSWCRKLDRLAU-GFCCVEGCSA-N -1 1 390.429 -0.194 20 0 GBADMM O=S(=O)(N[C@@H]1CCCc2c1cnn2CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488509 607628238 /nfs/dbraw/zinc/62/82/38/607628238.db2.gz RKDSWCRKLDRLAU-GFCCVEGCSA-N -1 1 390.429 -0.194 20 0 GBADMM O=S(=O)(N[C@H]1CCCc2c1cnn2CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488510 607628614 /nfs/dbraw/zinc/62/86/14/607628614.db2.gz RKDSWCRKLDRLAU-LBPRGKRZSA-N -1 1 390.429 -0.194 20 0 GBADMM O=S(=O)(N[C@H]1CCCc2c1cnn2CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488510 607628613 /nfs/dbraw/zinc/62/86/13/607628613.db2.gz RKDSWCRKLDRLAU-LBPRGKRZSA-N -1 1 390.429 -0.194 20 0 GBADMM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489773 607627317 /nfs/dbraw/zinc/62/73/17/607627317.db2.gz ZKFSURSBYFZMQH-LLVKDONJSA-N -1 1 376.398 -0.020 20 0 GBADMM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489773 607627316 /nfs/dbraw/zinc/62/73/16/607627316.db2.gz ZKFSURSBYFZMQH-LLVKDONJSA-N -1 1 376.398 -0.020 20 0 GBADMM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489774 607627356 /nfs/dbraw/zinc/62/73/56/607627356.db2.gz ZKFSURSBYFZMQH-NSHDSACASA-N -1 1 376.398 -0.020 20 0 GBADMM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489774 607627355 /nfs/dbraw/zinc/62/73/55/607627355.db2.gz ZKFSURSBYFZMQH-NSHDSACASA-N -1 1 376.398 -0.020 20 0 GBADMM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490074 607676081 /nfs/dbraw/zinc/67/60/81/607676081.db2.gz JHICJBSLQHMRLR-MRVPVSSYSA-N -1 1 375.407 -0.139 20 0 GBADMM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490074 607676079 /nfs/dbraw/zinc/67/60/79/607676079.db2.gz JHICJBSLQHMRLR-MRVPVSSYSA-N -1 1 375.407 -0.139 20 0 GBADMM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490075 607675699 /nfs/dbraw/zinc/67/56/99/607675699.db2.gz JHICJBSLQHMRLR-QMMMGPOBSA-N -1 1 375.407 -0.139 20 0 GBADMM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490075 607675698 /nfs/dbraw/zinc/67/56/98/607675698.db2.gz JHICJBSLQHMRLR-QMMMGPOBSA-N -1 1 375.407 -0.139 20 0 GBADMM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490518 607675966 /nfs/dbraw/zinc/67/59/66/607675966.db2.gz YALUGDDOUBJNAS-SECBINFHSA-N -1 1 375.407 -0.139 20 0 GBADMM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490519 607675997 /nfs/dbraw/zinc/67/59/97/607675997.db2.gz YALUGDDOUBJNAS-VIFPVBQESA-N -1 1 375.407 -0.139 20 0 GBADMM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490589 609182898 /nfs/dbraw/zinc/18/28/98/609182898.db2.gz ACSVZOIXHMYAPK-JTQLQIEISA-N -1 1 382.402 -0.538 20 0 GBADMM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490589 609182896 /nfs/dbraw/zinc/18/28/96/609182896.db2.gz ACSVZOIXHMYAPK-JTQLQIEISA-N -1 1 382.402 -0.538 20 0 GBADMM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490590 609182830 /nfs/dbraw/zinc/18/28/30/609182830.db2.gz ACSVZOIXHMYAPK-SNVBAGLBSA-N -1 1 382.402 -0.538 20 0 GBADMM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490590 609182828 /nfs/dbraw/zinc/18/28/28/609182828.db2.gz ACSVZOIXHMYAPK-SNVBAGLBSA-N -1 1 382.402 -0.538 20 0 GBADMM O=S(=O)(NCCN1CCCS1(=O)=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490796 638010889 /nfs/dbraw/zinc/01/08/89/638010889.db2.gz HXVQOLCUUYRYOL-UHFFFAOYSA-N -1 1 390.422 -0.680 20 0 GBADMM O=S(=O)(NCCN1CCCS1(=O)=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490796 638010869 /nfs/dbraw/zinc/01/08/69/638010869.db2.gz HXVQOLCUUYRYOL-UHFFFAOYSA-N -1 1 390.422 -0.680 20 0 GBADMM O=S(=O)(NCCN1CCCS1(=O)=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490865 638011395 /nfs/dbraw/zinc/01/13/95/638011395.db2.gz KFGFOUUSAGHZCH-UHFFFAOYSA-N -1 1 390.422 -0.680 20 0 GBADMM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491111 607680796 /nfs/dbraw/zinc/68/07/96/607680796.db2.gz UEDYKJFMHCPSTE-JTQLQIEISA-N -1 1 383.865 -0.202 20 0 GBADMM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491111 607680794 /nfs/dbraw/zinc/68/07/94/607680794.db2.gz UEDYKJFMHCPSTE-JTQLQIEISA-N -1 1 383.865 -0.202 20 0 GBADMM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491112 607680622 /nfs/dbraw/zinc/68/06/22/607680622.db2.gz UEDYKJFMHCPSTE-SNVBAGLBSA-N -1 1 383.865 -0.202 20 0 GBADMM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491112 607680620 /nfs/dbraw/zinc/68/06/20/607680620.db2.gz UEDYKJFMHCPSTE-SNVBAGLBSA-N -1 1 383.865 -0.202 20 0 GBADMM O=S(=O)(NCCn1ncnn1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826492217 607673078 /nfs/dbraw/zinc/67/30/78/607673078.db2.gz YIVBHAHXCLBRBH-UHFFFAOYSA-N -1 1 389.323 -0.150 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826494504 607744454 /nfs/dbraw/zinc/74/44/54/607744454.db2.gz FISKHWYHWUBVEG-LLVKDONJSA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826494504 607744453 /nfs/dbraw/zinc/74/44/53/607744453.db2.gz FISKHWYHWUBVEG-LLVKDONJSA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826494505 607744578 /nfs/dbraw/zinc/74/45/78/607744578.db2.gz FISKHWYHWUBVEG-NSHDSACASA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826494505 607744577 /nfs/dbraw/zinc/74/45/77/607744577.db2.gz FISKHWYHWUBVEG-NSHDSACASA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826494641 609572368 /nfs/dbraw/zinc/57/23/68/609572368.db2.gz KLLQHBVTPQZEOV-KBPBESRZSA-N -1 1 379.446 -0.519 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826494641 609572366 /nfs/dbraw/zinc/57/23/66/609572366.db2.gz KLLQHBVTPQZEOV-KBPBESRZSA-N -1 1 379.446 -0.519 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826494642 609572614 /nfs/dbraw/zinc/57/26/14/609572614.db2.gz KLLQHBVTPQZEOV-KGLIPLIRSA-N -1 1 379.446 -0.519 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826494642 609572611 /nfs/dbraw/zinc/57/26/11/609572611.db2.gz KLLQHBVTPQZEOV-KGLIPLIRSA-N -1 1 379.446 -0.519 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826494643 609572554 /nfs/dbraw/zinc/57/25/54/609572554.db2.gz KLLQHBVTPQZEOV-UONOGXRCSA-N -1 1 379.446 -0.519 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826494643 609572551 /nfs/dbraw/zinc/57/25/51/609572551.db2.gz KLLQHBVTPQZEOV-UONOGXRCSA-N -1 1 379.446 -0.519 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826494644 609572330 /nfs/dbraw/zinc/57/23/30/609572330.db2.gz KLLQHBVTPQZEOV-ZIAGYGMSSA-N -1 1 379.446 -0.519 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826494644 609572327 /nfs/dbraw/zinc/57/23/27/609572327.db2.gz KLLQHBVTPQZEOV-ZIAGYGMSSA-N -1 1 379.446 -0.519 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Cn2ccnn2)CC1 ZINC000826494754 607812523 /nfs/dbraw/zinc/81/25/23/607812523.db2.gz NVVFKESUQAVSHS-UHFFFAOYSA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Cn2ccnn2)CC1 ZINC000826494754 607812522 /nfs/dbraw/zinc/81/25/22/607812522.db2.gz NVVFKESUQAVSHS-UHFFFAOYSA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N(CCO)CCO ZINC000826494829 608422996 /nfs/dbraw/zinc/42/29/96/608422996.db2.gz QZQWNNHNBFXPTK-UHFFFAOYSA-N -1 1 381.336 -0.139 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826494953 609447537 /nfs/dbraw/zinc/44/75/37/609447537.db2.gz WKKSJJDPLKYRNX-LLVKDONJSA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826494953 609447534 /nfs/dbraw/zinc/44/75/34/609447534.db2.gz WKKSJJDPLKYRNX-LLVKDONJSA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826494954 609447858 /nfs/dbraw/zinc/44/78/58/609447858.db2.gz WKKSJJDPLKYRNX-NSHDSACASA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826494954 609447856 /nfs/dbraw/zinc/44/78/56/609447856.db2.gz WKKSJJDPLKYRNX-NSHDSACASA-N -1 1 375.418 -0.046 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CCO)CCOCC(F)(F)F ZINC000826495024 607634209 /nfs/dbraw/zinc/63/42/09/607634209.db2.gz ZYIHQIDFBLDKDB-UHFFFAOYSA-N -1 1 396.351 -0.176 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CCO)CCOCC(F)(F)F ZINC000826495024 607634208 /nfs/dbraw/zinc/63/42/08/607634208.db2.gz ZYIHQIDFBLDKDB-UHFFFAOYSA-N -1 1 396.351 -0.176 20 0 GBADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H](Cn2cncn2)C1 ZINC000826495568 607619397 /nfs/dbraw/zinc/61/93/97/607619397.db2.gz UDOQBTTUDPYTSV-LLVKDONJSA-N -1 1 394.392 -0.313 20 0 GBADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000826495569 607619051 /nfs/dbraw/zinc/61/90/51/607619051.db2.gz UDOQBTTUDPYTSV-NSHDSACASA-N -1 1 394.392 -0.313 20 0 GBADMM O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)C1 ZINC000826495960 609428423 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HHRUHWPRCUGYAP-QWRGUYRKSA-N -1 1 399.864 -0.805 20 0 GBADMM O=S1(=O)C[C@H](N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)[C@H](O)C1 ZINC000826495963 609428729 /nfs/dbraw/zinc/42/87/29/609428729.db2.gz HHRUHWPRCUGYAP-WDEREUQCSA-N -1 1 399.864 -0.805 20 0 GBADMM O=S1(=O)C[C@H](N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)[C@H](O)C1 ZINC000826495963 609428727 /nfs/dbraw/zinc/42/87/27/609428727.db2.gz HHRUHWPRCUGYAP-WDEREUQCSA-N -1 1 399.864 -0.805 20 0 GBADMM O=S(=O)(NCCC1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826496207 608563222 /nfs/dbraw/zinc/56/32/22/608563222.db2.gz OLEJTSOPZQOESC-UHFFFAOYSA-N -1 1 386.459 -0.245 20 0 GBADMM O=S(=O)(NCCC1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826496207 608563219 /nfs/dbraw/zinc/56/32/19/608563219.db2.gz OLEJTSOPZQOESC-UHFFFAOYSA-N -1 1 386.459 -0.245 20 0 GBADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000826496268 607619306 /nfs/dbraw/zinc/61/93/06/607619306.db2.gz QFBVFCSXOQWCMH-JTQLQIEISA-N -1 1 394.392 -0.313 20 0 GBADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000826496268 607619304 /nfs/dbraw/zinc/61/93/04/607619304.db2.gz QFBVFCSXOQWCMH-JTQLQIEISA-N -1 1 394.392 -0.313 20 0 GBADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](Cn2cncn2)C1 ZINC000826496269 607619060 /nfs/dbraw/zinc/61/90/60/607619060.db2.gz QFBVFCSXOQWCMH-SNVBAGLBSA-N -1 1 394.392 -0.313 20 0 GBADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](Cn2cncn2)C1 ZINC000826496269 607619058 /nfs/dbraw/zinc/61/90/58/607619058.db2.gz QFBVFCSXOQWCMH-SNVBAGLBSA-N -1 1 394.392 -0.313 20 0 GBADMM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826496588 607614238 /nfs/dbraw/zinc/61/42/38/607614238.db2.gz AQTNHYFNHJIBIH-SECBINFHSA-N -1 1 375.407 -0.139 20 0 GBADMM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826496589 607614090 /nfs/dbraw/zinc/61/40/90/607614090.db2.gz AQTNHYFNHJIBIH-VIFPVBQESA-N -1 1 375.407 -0.139 20 0 GBADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCS(=O)(=O)CC1 ZINC000826496688 607620908 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0 GBADMM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826496771 607584660 /nfs/dbraw/zinc/58/46/60/607584660.db2.gz JDSXKNWVNTVYKO-MRVPVSSYSA-N -1 1 375.407 -0.281 20 0 GBADMM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826496772 607584756 /nfs/dbraw/zinc/58/47/56/607584756.db2.gz JDSXKNWVNTVYKO-QMMMGPOBSA-N -1 1 375.407 -0.281 20 0 GBADMM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826496805 607584859 /nfs/dbraw/zinc/58/48/59/607584859.db2.gz KCBYDRTYVBTNBX-MRVPVSSYSA-N -1 1 375.407 -0.281 20 0 GBADMM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826496805 607584857 /nfs/dbraw/zinc/58/48/57/607584857.db2.gz KCBYDRTYVBTNBX-MRVPVSSYSA-N -1 1 375.407 -0.281 20 0 GBADMM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826496806 607584526 /nfs/dbraw/zinc/58/45/26/607584526.db2.gz KCBYDRTYVBTNBX-QMMMGPOBSA-N -1 1 375.407 -0.281 20 0 GBADMM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826496806 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GBADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000827379213 601094954 /nfs/dbraw/zinc/09/49/54/601094954.db2.gz DWQFGHIKAKDGTL-LLVKDONJSA-N -1 1 389.412 -0.747 20 0 GBADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000827379215 601095298 /nfs/dbraw/zinc/09/52/98/601095298.db2.gz DWQFGHIKAKDGTL-NSHDSACASA-N -1 1 389.412 -0.747 20 0 GBADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000827379550 601090159 /nfs/dbraw/zinc/09/01/59/601090159.db2.gz ICLVYGCQDVDXHP-JTQLQIEISA-N -1 1 375.385 -0.345 20 0 GBADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000827379552 601089660 /nfs/dbraw/zinc/08/96/60/601089660.db2.gz ICLVYGCQDVDXHP-SNVBAGLBSA-N -1 1 375.385 -0.345 20 0 GBADMM C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000827385967 601519919 /nfs/dbraw/zinc/51/99/19/601519919.db2.gz PUICSDKFQASQCE-SECBINFHSA-N -1 1 397.413 -0.395 20 0 GBADMM C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000827385968 601519814 /nfs/dbraw/zinc/51/98/14/601519814.db2.gz PUICSDKFQASQCE-VIFPVBQESA-N -1 1 397.413 -0.395 20 0 GBADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000827455101 601761556 /nfs/dbraw/zinc/76/15/56/601761556.db2.gz JFXOTQLGBXCOSP-BBRMVZONSA-N -1 1 390.440 -0.383 20 0 GBADMM C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000827455103 601761349 /nfs/dbraw/zinc/76/13/49/601761349.db2.gz JFXOTQLGBXCOSP-CJNGLKHVSA-N -1 1 390.440 -0.383 20 0 GBADMM C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000827455104 601761398 /nfs/dbraw/zinc/76/13/98/601761398.db2.gz JFXOTQLGBXCOSP-CZUORRHYSA-N -1 1 390.440 -0.383 20 0 GBADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000827455105 601761570 /nfs/dbraw/zinc/76/15/70/601761570.db2.gz JFXOTQLGBXCOSP-XJKSGUPXSA-N -1 1 390.440 -0.383 20 0 GBADMM C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000827455610 601761420 /nfs/dbraw/zinc/76/14/20/601761420.db2.gz MRNBBMLZKIPJEI-CYBMUJFWSA-N -1 1 378.429 -0.159 20 0 GBADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000827455611 601761516 /nfs/dbraw/zinc/76/15/16/601761516.db2.gz MRNBBMLZKIPJEI-ZDUSSCGKSA-N -1 1 378.429 -0.159 20 0 GBADMM C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000827455939 601761471 /nfs/dbraw/zinc/76/14/71/601761471.db2.gz PSSCYWGMLZGQHU-CYBMUJFWSA-N -1 1 378.429 -0.159 20 0 GBADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000827455941 601761273 /nfs/dbraw/zinc/76/12/73/601761273.db2.gz PSSCYWGMLZGQHU-ZDUSSCGKSA-N -1 1 378.429 -0.159 20 0 GBADMM CO[C@H](CS(=O)(=O)[N-]C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000827524052 638013938 /nfs/dbraw/zinc/01/39/38/638013938.db2.gz WOVUUDOXJNEPFE-LLVKDONJSA-N -1 1 377.463 -0.194 20 0 GBADMM CO[C@@H](CS(=O)(=O)[N-]C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000827524053 638013787 /nfs/dbraw/zinc/01/37/87/638013787.db2.gz WOVUUDOXJNEPFE-NSHDSACASA-N -1 1 377.463 -0.194 20 0 GBADMM CC(C)N1CCO[C@@H](CN2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)C1 ZINC000827545691 601792102 /nfs/dbraw/zinc/79/21/02/601792102.db2.gz CPBFJAVEQGAGNC-CABCVRRESA-N -1 1 377.507 -0.236 20 0 GBADMM CC(C)N1CCO[C@@H](CN2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)C1 ZINC000827545692 601792284 /nfs/dbraw/zinc/79/22/84/601792284.db2.gz CPBFJAVEQGAGNC-GJZGRUSLSA-N -1 1 377.507 -0.236 20 0 GBADMM CC(C)N1CCO[C@H](CN2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)C1 ZINC000827545693 601792094 /nfs/dbraw/zinc/79/20/94/601792094.db2.gz CPBFJAVEQGAGNC-HUUCEWRRSA-N -1 1 377.507 -0.236 20 0 GBADMM CC(C)N1CCO[C@H](CN2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)C1 ZINC000827545694 601792180 /nfs/dbraw/zinc/79/21/80/601792180.db2.gz CPBFJAVEQGAGNC-LSDHHAIUSA-N -1 1 377.507 -0.236 20 0 GBADMM CCc1nc([C@H]2CN(C(=O)NCCN3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000827620058 605159115 /nfs/dbraw/zinc/15/91/15/605159115.db2.gz DGYYWZCLVBPGRJ-GFCCVEGCSA-N -1 1 381.437 -0.254 20 0 GBADMM CCc1nc([C@@H]2CN(C(=O)NCCN3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000827620059 605158772 /nfs/dbraw/zinc/15/87/72/605158772.db2.gz DGYYWZCLVBPGRJ-LBPRGKRZSA-N -1 1 381.437 -0.254 20 0 GBADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000827761118 601687859 /nfs/dbraw/zinc/68/78/59/601687859.db2.gz UOHOFCUIYZHRAA-NEPJUHHUSA-N -1 1 387.462 -0.906 20 0 GBADMM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827761119 601687594 /nfs/dbraw/zinc/68/75/94/601687594.db2.gz UOHOFCUIYZHRAA-NWDGAFQWSA-N -1 1 387.462 -0.906 20 0 GBADMM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827761120 601687631 /nfs/dbraw/zinc/68/76/31/601687631.db2.gz UOHOFCUIYZHRAA-RYUDHWBXSA-N -1 1 387.462 -0.906 20 0 GBADMM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000827761121 601687659 /nfs/dbraw/zinc/68/76/59/601687659.db2.gz UOHOFCUIYZHRAA-VXGBXAGGSA-N -1 1 387.462 -0.906 20 0 GBADMM CN(C)C(=O)CCN1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827954642 604439280 /nfs/dbraw/zinc/43/92/80/604439280.db2.gz WRGNVWGNZGFWQJ-AWEZNQCLSA-N -1 1 382.465 -0.860 20 0 GBADMM CN(C)C(=O)CCN1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)CC1 ZINC000827954647 604439250 /nfs/dbraw/zinc/43/92/50/604439250.db2.gz WRGNVWGNZGFWQJ-CQSZACIVSA-N -1 1 382.465 -0.860 20 0 GBADMM C[C@@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000828020047 601849912 /nfs/dbraw/zinc/84/99/12/601849912.db2.gz HUESQZNTLGNVJW-BLLLJJGKSA-N -1 1 381.410 -0.238 20 0 GBADMM C[C@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000828020048 601849961 /nfs/dbraw/zinc/84/99/61/601849961.db2.gz HUESQZNTLGNVJW-LRDDRELGSA-N -1 1 381.410 -0.238 20 0 GBADMM C[C@@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000828020049 601850152 /nfs/dbraw/zinc/85/01/52/601850152.db2.gz HUESQZNTLGNVJW-MLGOLLRUSA-N -1 1 381.410 -0.238 20 0 GBADMM C[C@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000828020050 601850117 /nfs/dbraw/zinc/85/01/17/601850117.db2.gz HUESQZNTLGNVJW-WBMJQRKESA-N -1 1 381.410 -0.238 20 0 GBADMM CN(C)CCCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828023448 604280415 /nfs/dbraw/zinc/28/04/15/604280415.db2.gz AHMKWWMQTIQYMC-CHWSQXEVSA-N -1 1 377.463 -0.667 20 0 GBADMM CN(C)CCCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828023452 604280498 /nfs/dbraw/zinc/28/04/98/604280498.db2.gz AHMKWWMQTIQYMC-OLZOCXBDSA-N -1 1 377.463 -0.667 20 0 GBADMM CN(C)CCCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828023454 604280376 /nfs/dbraw/zinc/28/03/76/604280376.db2.gz AHMKWWMQTIQYMC-QWHCGFSZSA-N -1 1 377.463 -0.667 20 0 GBADMM CN(C)CCCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828023456 604280379 /nfs/dbraw/zinc/28/03/79/604280379.db2.gz AHMKWWMQTIQYMC-STQMWFEESA-N -1 1 377.463 -0.667 20 0 GBADMM CN(C)CCCN(C(=O)COC1CN(C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000828023467 604000954 /nfs/dbraw/zinc/00/09/54/604000954.db2.gz ANJJKFSDLGASCO-GFCCVEGCSA-N -1 1 377.463 -0.667 20 0 GBADMM CN(C)CCCN(C(=O)COC1CN(C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000828023468 604000277 /nfs/dbraw/zinc/00/02/77/604000277.db2.gz ANJJKFSDLGASCO-LBPRGKRZSA-N -1 1 377.463 -0.667 20 0 GBADMM CN(C)CCCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828024636 604280351 /nfs/dbraw/zinc/28/03/51/604280351.db2.gz RBJZGHQHXJNDPZ-KBPBESRZSA-N -1 1 391.490 -0.277 20 0 GBADMM CN(C)CCCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828024637 604280423 /nfs/dbraw/zinc/28/04/23/604280423.db2.gz RBJZGHQHXJNDPZ-KGLIPLIRSA-N -1 1 391.490 -0.277 20 0 GBADMM CN(C)CCCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000828024638 604280494 /nfs/dbraw/zinc/28/04/94/604280494.db2.gz RBJZGHQHXJNDPZ-UONOGXRCSA-N -1 1 391.490 -0.277 20 0 GBADMM CN(C)CCCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000828024639 604280309 /nfs/dbraw/zinc/28/03/09/604280309.db2.gz RBJZGHQHXJNDPZ-ZIAGYGMSSA-N -1 1 391.490 -0.277 20 0 GBADMM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000828095637 604109169 /nfs/dbraw/zinc/10/91/69/604109169.db2.gz LTJQTEQNUJSGRD-CYBMUJFWSA-N -1 1 376.479 -0.588 20 0 GBADMM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000828095638 604109458 /nfs/dbraw/zinc/10/94/58/604109458.db2.gz LTJQTEQNUJSGRD-ZDUSSCGKSA-N -1 1 376.479 -0.588 20 0 GBADMM CCN(OC)C(=O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000828174555 638015760 /nfs/dbraw/zinc/01/57/60/638015760.db2.gz PXZAXFWMPFQVOF-UHFFFAOYSA-N -1 1 383.423 -0.115 20 0 GBADMM Cn1nccc1[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C(=O)OC(C)(C)C ZINC000828283350 638016471 /nfs/dbraw/zinc/01/64/71/638016471.db2.gz RDQSDUZRRZQYEZ-LLVKDONJSA-N -1 1 381.476 -0.233 20 0 GBADMM Cn1nccc1[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C(=O)OC(C)(C)C ZINC000828283351 638016224 /nfs/dbraw/zinc/01/62/24/638016224.db2.gz 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ZINC000848964943 638113915 /nfs/dbraw/zinc/11/39/15/638113915.db2.gz ZNSHLZSXOBRPAM-UHFFFAOYSA-N -1 1 396.878 -0.196 20 0 GBADMM CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848965322 638114617 /nfs/dbraw/zinc/11/46/17/638114617.db2.gz KNLWDAYSSFUSQK-SECBINFHSA-N -1 1 382.439 -0.594 20 0 GBADMM NC(=O)C1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)CCCC1 ZINC000848965433 638114539 /nfs/dbraw/zinc/11/45/39/638114539.db2.gz PDTKNEFHXNWXQC-UHFFFAOYSA-N -1 1 390.487 -0.069 20 0 GBADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C)OCCO2)c1C ZINC000848965501 638114570 /nfs/dbraw/zinc/11/45/70/638114570.db2.gz QKEBSAKNVKXXSD-UHFFFAOYSA-N -1 1 396.491 -0.159 20 0 GBADMM CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)OCCO1 ZINC000848965626 638115086 /nfs/dbraw/zinc/11/50/86/638115086.db2.gz UIMYEXDCGYDWFZ-UHFFFAOYSA-N -1 1 379.460 -0.104 20 0 GBADMM CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848965795 638114963 /nfs/dbraw/zinc/11/49/63/638114963.db2.gz WIPCPNWMDOQCOW-SECBINFHSA-N -1 1 398.894 -0.079 20 0 GBADMM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1)C(N)=O ZINC000848966020 638115661 /nfs/dbraw/zinc/11/56/61/638115661.db2.gz AZHQCDNMIDBAPX-QMMMGPOBSA-N -1 1 384.867 -0.340 20 0 GBADMM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1COCCO1)[N-]c1cccc(F)n1 ZINC000848966482 638116986 /nfs/dbraw/zinc/11/69/86/638116986.db2.gz QIWFOOPDCLYDAC-LLVKDONJSA-N -1 1 397.450 -0.313 20 0 GBADMM O=S(=O)(CCCS(=O)(=O)NC[C@H]1COCCO1)[N-]c1cccc(F)n1 ZINC000848966483 638117274 /nfs/dbraw/zinc/11/72/74/638117274.db2.gz QIWFOOPDCLYDAC-NSHDSACASA-N -1 1 397.450 -0.313 20 0 GBADMM CN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(F)n2)CC1=O ZINC000848966512 638117198 /nfs/dbraw/zinc/11/71/98/638117198.db2.gz RVGPEVTVXNYIDM-JTQLQIEISA-N -1 1 394.450 -0.497 20 0 GBADMM CN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(F)n2)CC1=O ZINC000848966513 638117287 /nfs/dbraw/zinc/11/72/87/638117287.db2.gz RVGPEVTVXNYIDM-SNVBAGLBSA-N -1 1 394.450 -0.497 20 0 GBADMM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)n[nH]1 ZINC000848966614 638117280 /nfs/dbraw/zinc/11/72/80/638117280.db2.gz VGGHGEOKNLAMSL-UHFFFAOYSA-N -1 1 380.477 -0.179 20 0 GBADMM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nonc2C)n[nH]1 ZINC000848966750 638118086 /nfs/dbraw/zinc/11/80/86/638118086.db2.gz ZNCHHKBYFBQVGT-UHFFFAOYSA-N -1 1 378.436 -0.339 20 0 GBADMM O=C1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cccc(F)n2)CCN1 ZINC000848968631 638120876 /nfs/dbraw/zinc/12/08/76/638120876.db2.gz BPTHLCACQGAKEZ-UHFFFAOYSA-N -1 1 394.450 -0.496 20 0 GBADMM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1COC[C@H]1O)[N-]c1cccc(F)n1 ZINC000848968698 638121224 /nfs/dbraw/zinc/12/12/24/638121224.db2.gz GLTJCJBFVDELBC-GHMZBOCLSA-N -1 1 397.450 -0.578 20 0 GBADMM O=C1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)CCCN1 ZINC000848968922 638121122 /nfs/dbraw/zinc/12/11/22/638121122.db2.gz MSLMCQSAGMAKQR-UHFFFAOYSA-N -1 1 390.487 -0.245 20 0 GBADMM CN1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cccc(F)n2)CC1=O ZINC000848969789 638123013 /nfs/dbraw/zinc/12/30/13/638123013.db2.gz ASLOOJTUTPMHKS-UHFFFAOYSA-N -1 1 394.450 -0.196 20 0 GBADMM Cn1cnc(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000849168736 638124829 /nfs/dbraw/zinc/12/48/29/638124829.db2.gz GVAJSLQVVGYDPJ-APPZFPTMSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1cnc(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000849168737 638124592 /nfs/dbraw/zinc/12/45/92/638124592.db2.gz GVAJSLQVVGYDPJ-CBAPKCEASA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1cnc(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000849168738 638124877 /nfs/dbraw/zinc/12/48/77/638124877.db2.gz GVAJSLQVVGYDPJ-IONNQARKSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1cnc(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000849168739 638124754 /nfs/dbraw/zinc/12/47/54/638124754.db2.gz GVAJSLQVVGYDPJ-VXNVDRBHSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1cc(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC000849231496 638125587 /nfs/dbraw/zinc/12/55/87/638125587.db2.gz FJFIGCPGWBTKQV-BDAKNGLRSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1cc(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000849231497 638125327 /nfs/dbraw/zinc/12/53/27/638125327.db2.gz FJFIGCPGWBTKQV-DTWKUNHWSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1cc(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC000849231498 638125666 /nfs/dbraw/zinc/12/56/66/638125666.db2.gz FJFIGCPGWBTKQV-IUCAKERBSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1cc(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000849231499 638125557 /nfs/dbraw/zinc/12/55/57/638125557.db2.gz FJFIGCPGWBTKQV-RKDXNWHRSA-N -1 1 384.336 -0.295 20 0 GBADMM COCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849231530 638125619 /nfs/dbraw/zinc/12/56/19/638125619.db2.gz FWIWRGBRVJIYJG-BDAKNGLRSA-N -1 1 376.353 -0.051 20 0 GBADMM COCCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849231531 638125400 /nfs/dbraw/zinc/12/54/00/638125400.db2.gz FWIWRGBRVJIYJG-DTWKUNHWSA-N -1 1 376.353 -0.051 20 0 GBADMM COCCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849231532 638126483 /nfs/dbraw/zinc/12/64/83/638126483.db2.gz FWIWRGBRVJIYJG-IUCAKERBSA-N -1 1 376.353 -0.051 20 0 GBADMM COCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849231533 638126363 /nfs/dbraw/zinc/12/63/63/638126363.db2.gz FWIWRGBRVJIYJG-RKDXNWHRSA-N -1 1 376.353 -0.051 20 0 GBADMM COC[C@H](C)S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849231694 638126613 /nfs/dbraw/zinc/12/66/13/638126613.db2.gz HBWNZPOTYBKMRQ-CIUDSAMLSA-N -1 1 376.353 -0.053 20 0 GBADMM COC[C@H](C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849231695 638126421 /nfs/dbraw/zinc/12/64/21/638126421.db2.gz HBWNZPOTYBKMRQ-DJLDLDEBSA-N -1 1 376.353 -0.053 20 0 GBADMM COC[C@H](C)S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849231696 638126320 /nfs/dbraw/zinc/12/63/20/638126320.db2.gz HBWNZPOTYBKMRQ-XHNCKOQMSA-N -1 1 376.353 -0.053 20 0 GBADMM COC[C@H](C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849231698 638126436 /nfs/dbraw/zinc/12/64/36/638126436.db2.gz HBWNZPOTYBKMRQ-YIZRAAEISA-N -1 1 376.353 -0.053 20 0 GBADMM Cn1ccc(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000849232532 638126549 /nfs/dbraw/zinc/12/65/49/638126549.db2.gz OLMTUGNGCDYGRB-APPZFPTMSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000849232533 638126287 /nfs/dbraw/zinc/12/62/87/638126287.db2.gz OLMTUGNGCDYGRB-CBAPKCEASA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000849232534 638126381 /nfs/dbraw/zinc/12/63/81/638126381.db2.gz OLMTUGNGCDYGRB-IONNQARKSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1ccc(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000849232535 638127439 /nfs/dbraw/zinc/12/74/39/638127439.db2.gz OLMTUGNGCDYGRB-VXNVDRBHSA-N -1 1 384.336 -0.295 20 0 GBADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCOCC1 ZINC000849232605 638127083 /nfs/dbraw/zinc/12/70/83/638127083.db2.gz PUCVITLMUHDCTL-BDAKNGLRSA-N -1 1 389.352 -0.841 20 0 GBADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCOCC1 ZINC000849232606 638126929 /nfs/dbraw/zinc/12/69/29/638126929.db2.gz PUCVITLMUHDCTL-DTWKUNHWSA-N -1 1 389.352 -0.841 20 0 GBADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCOCC1 ZINC000849232607 638127316 /nfs/dbraw/zinc/12/73/16/638127316.db2.gz PUCVITLMUHDCTL-IUCAKERBSA-N -1 1 389.352 -0.841 20 0 GBADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCOCC1 ZINC000849232608 638127172 /nfs/dbraw/zinc/12/71/72/638127172.db2.gz PUCVITLMUHDCTL-RKDXNWHRSA-N -1 1 389.352 -0.841 20 0 GBADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000849233000 638127006 /nfs/dbraw/zinc/12/70/06/638127006.db2.gz VNMYIHVUGXDGMD-AEJSXWLSSA-N -1 1 388.364 -0.051 20 0 GBADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000849233001 638127299 /nfs/dbraw/zinc/12/72/99/638127299.db2.gz VNMYIHVUGXDGMD-BBBLOLIVSA-N -1 1 388.364 -0.051 20 0 GBADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000849233002 638127413 /nfs/dbraw/zinc/12/74/13/638127413.db2.gz VNMYIHVUGXDGMD-GUBZILKMSA-N -1 1 388.364 -0.051 20 0 GBADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000849233003 638127110 /nfs/dbraw/zinc/12/71/10/638127110.db2.gz VNMYIHVUGXDGMD-UTLUCORTSA-N -1 1 388.364 -0.051 20 0 GBADMM CO[C@H](C)CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849233058 638127217 /nfs/dbraw/zinc/12/72/17/638127217.db2.gz WFVIPJYQMNWERK-HLTSFMKQSA-N -1 1 376.353 -0.053 20 0 GBADMM CO[C@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849233059 638127327 /nfs/dbraw/zinc/12/73/27/638127327.db2.gz WFVIPJYQMNWERK-HRDYMLBCSA-N -1 1 376.353 -0.053 20 0 GBADMM CO[C@H](C)CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849233060 638127180 /nfs/dbraw/zinc/12/71/80/638127180.db2.gz WFVIPJYQMNWERK-IWSPIJDZSA-N -1 1 376.353 -0.053 20 0 GBADMM CO[C@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849233061 638127323 /nfs/dbraw/zinc/12/73/23/638127323.db2.gz WFVIPJYQMNWERK-VGMNWLOBSA-N -1 1 376.353 -0.053 20 0 GBADMM CCOCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849233231 638127705 /nfs/dbraw/zinc/12/77/05/638127705.db2.gz XVIPUNHSYBTCHV-BDAKNGLRSA-N -1 1 376.353 -0.051 20 0 GBADMM CCOCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849233232 638127806 /nfs/dbraw/zinc/12/78/06/638127806.db2.gz XVIPUNHSYBTCHV-DTWKUNHWSA-N -1 1 376.353 -0.051 20 0 GBADMM CCOCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849233233 638127971 /nfs/dbraw/zinc/12/79/71/638127971.db2.gz XVIPUNHSYBTCHV-IUCAKERBSA-N -1 1 376.353 -0.051 20 0 GBADMM CCOCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849233234 638127944 /nfs/dbraw/zinc/12/79/44/638127944.db2.gz XVIPUNHSYBTCHV-RKDXNWHRSA-N -1 1 376.353 -0.051 20 0 GBADMM Cn1nncc1S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849233301 638127953 /nfs/dbraw/zinc/12/79/53/638127953.db2.gz ZBJJDAZJRMHAHG-HTRCEHHLSA-N -1 1 385.324 -0.900 20 0 GBADMM Cn1nncc1S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849233313 638127864 /nfs/dbraw/zinc/12/78/64/638127864.db2.gz ZBJJDAZJRMHAHG-POYBYMJQSA-N -1 1 385.324 -0.900 20 0 GBADMM Cn1nncc1S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849233314 638127746 /nfs/dbraw/zinc/12/77/46/638127746.db2.gz ZBJJDAZJRMHAHG-SVRRBLITSA-N -1 1 385.324 -0.900 20 0 GBADMM Cn1nncc1S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849233315 638127986 /nfs/dbraw/zinc/12/79/86/638127986.db2.gz ZBJJDAZJRMHAHG-XPUUQOCRSA-N -1 1 385.324 -0.900 20 0 GBADMM Cn1nccc1S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849233339 638127937 /nfs/dbraw/zinc/12/79/37/638127937.db2.gz ZOTSNSUMQRXBLX-APPZFPTMSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1nccc1S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849233340 638127925 /nfs/dbraw/zinc/12/79/25/638127925.db2.gz ZOTSNSUMQRXBLX-CBAPKCEASA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1nccc1S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849233341 638127699 /nfs/dbraw/zinc/12/76/99/638127699.db2.gz ZOTSNSUMQRXBLX-IONNQARKSA-N -1 1 384.336 -0.295 20 0 GBADMM Cn1nccc1S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849233342 638127830 /nfs/dbraw/zinc/12/78/30/638127830.db2.gz ZOTSNSUMQRXBLX-VXNVDRBHSA-N -1 1 384.336 -0.295 20 0 GBADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)NC)c(F)c1 ZINC000849390772 638129444 /nfs/dbraw/zinc/12/94/44/638129444.db2.gz VSCKHHYXNJZISA-LLVKDONJSA-N -1 1 397.450 -0.637 20 0 GBADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](O)C(=O)NC)c(F)c1 ZINC000849390773 638129528 /nfs/dbraw/zinc/12/95/28/638129528.db2.gz VSCKHHYXNJZISA-NSHDSACASA-N -1 1 397.450 -0.637 20 0 GBADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)c(Br)n1C ZINC000849398961 638131728 /nfs/dbraw/zinc/13/17/28/638131728.db2.gz GKTBXHMHVQVRME-MRVPVSSYSA-N -1 1 379.240 -0.578 20 0 GBADMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)c(Br)n1C ZINC000849398962 638131649 /nfs/dbraw/zinc/13/16/49/638131649.db2.gz GKTBXHMHVQVRME-QMMMGPOBSA-N -1 1 379.240 -0.578 20 0 GBADMM Cc1nc(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)c(Br)n1C ZINC000849427024 638133708 /nfs/dbraw/zinc/13/37/08/638133708.db2.gz HGMAHZGSCQQFDU-GFCCVEGCSA-N -1 1 398.279 -0.063 20 0 GBADMM Cc1nc(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)c(Br)n1C ZINC000849427025 638133442 /nfs/dbraw/zinc/13/34/42/638133442.db2.gz HGMAHZGSCQQFDU-LBPRGKRZSA-N -1 1 398.279 -0.063 20 0 GBADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000851700112 638151777 /nfs/dbraw/zinc/15/17/77/638151777.db2.gz KJARPTXLWXIWPF-CIUDSAMLSA-N -1 1 386.348 -0.456 20 0 GBADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000851700113 638151907 /nfs/dbraw/zinc/15/19/07/638151907.db2.gz KJARPTXLWXIWPF-HLTSFMKQSA-N -1 1 386.348 -0.456 20 0 GBADMM 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CS(=O)(=O)NCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851702671 638152671 /nfs/dbraw/zinc/15/26/71/638152671.db2.gz MWFKPQIMEZTVFU-CBAPKCEASA-N -1 1 389.352 -0.952 20 0 GBADMM CS(=O)(=O)NCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851702797 638152584 /nfs/dbraw/zinc/15/25/84/638152584.db2.gz MWFKPQIMEZTVFU-IONNQARKSA-N -1 1 389.352 -0.952 20 0 GBADMM CS(=O)(=O)NCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851702799 638152493 /nfs/dbraw/zinc/15/24/93/638152493.db2.gz MWFKPQIMEZTVFU-VXNVDRBHSA-N -1 1 389.352 -0.952 20 0 GBADMM NC(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c[nH]1 ZINC000851702816 955821903 /nfs/dbraw/zinc/82/19/03/955821903.db2.gz MYDPWXOJCRHBOW-APPZFPTMSA-N -1 1 376.291 -0.150 20 0 GBADMM NC(=O)c1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c[nH]1 ZINC000851702818 955821434 /nfs/dbraw/zinc/82/14/34/955821434.db2.gz MYDPWXOJCRHBOW-CBAPKCEASA-N -1 1 376.291 -0.150 20 0 GBADMM NC(=O)c1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c[nH]1 ZINC000851702820 955822344 /nfs/dbraw/zinc/82/23/44/955822344.db2.gz MYDPWXOJCRHBOW-IONNQARKSA-N -1 1 376.291 -0.150 20 0 GBADMM NC(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c[nH]1 ZINC000851702822 955822542 /nfs/dbraw/zinc/82/25/42/955822542.db2.gz MYDPWXOJCRHBOW-VXNVDRBHSA-N -1 1 376.291 -0.150 20 0 GBADMM CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851703426 638152571 /nfs/dbraw/zinc/15/25/71/638152571.db2.gz PBGQWAPSLYZHGA-APPZFPTMSA-N -1 1 389.352 -1.000 20 0 GBADMM CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851703428 638152463 /nfs/dbraw/zinc/15/24/63/638152463.db2.gz PBGQWAPSLYZHGA-CBAPKCEASA-N -1 1 389.352 -1.000 20 0 GBADMM CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851703429 638152685 /nfs/dbraw/zinc/15/26/85/638152685.db2.gz PBGQWAPSLYZHGA-IONNQARKSA-N -1 1 389.352 -1.000 20 0 GBADMM CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851703431 638152498 /nfs/dbraw/zinc/15/24/98/638152498.db2.gz PBGQWAPSLYZHGA-VXNVDRBHSA-N -1 1 389.352 -1.000 20 0 GBADMM CCS(=O)(=O)NCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704212 638152514 /nfs/dbraw/zinc/15/25/14/638152514.db2.gz UFRDOTFRVYXNIJ-APPZFPTMSA-N -1 1 389.352 -0.952 20 0 GBADMM CCS(=O)(=O)NCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704213 638152602 /nfs/dbraw/zinc/15/26/02/638152602.db2.gz UFRDOTFRVYXNIJ-CBAPKCEASA-N -1 1 389.352 -0.952 20 0 GBADMM CCS(=O)(=O)NCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704214 638152617 /nfs/dbraw/zinc/15/26/17/638152617.db2.gz UFRDOTFRVYXNIJ-IONNQARKSA-N -1 1 389.352 -0.952 20 0 GBADMM CCS(=O)(=O)NCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704215 638152507 /nfs/dbraw/zinc/15/25/07/638152507.db2.gz UFRDOTFRVYXNIJ-VXNVDRBHSA-N -1 1 389.352 -0.952 20 0 GBADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC000851704472 638152697 /nfs/dbraw/zinc/15/26/97/638152697.db2.gz WYQKDJXXKHPRLP-CIUDSAMLSA-N -1 1 386.348 -0.314 20 0 GBADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC000851704473 638152590 /nfs/dbraw/zinc/15/25/90/638152590.db2.gz WYQKDJXXKHPRLP-HLTSFMKQSA-N -1 1 386.348 -0.314 20 0 GBADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC000851704474 638152534 /nfs/dbraw/zinc/15/25/34/638152534.db2.gz WYQKDJXXKHPRLP-VGMNWLOBSA-N -1 1 386.348 -0.314 20 0 GBADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC000851704475 638152725 /nfs/dbraw/zinc/15/27/25/638152725.db2.gz WYQKDJXXKHPRLP-YIZRAAEISA-N -1 1 386.348 -0.314 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704604 638152452 /nfs/dbraw/zinc/15/24/52/638152452.db2.gz YPLPRDKVISOWRE-PSASIEDQSA-N -1 1 388.364 -0.068 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704605 638152625 /nfs/dbraw/zinc/15/26/25/638152625.db2.gz YPLPRDKVISOWRE-SCZZXKLOSA-N -1 1 388.364 -0.068 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704606 638152737 /nfs/dbraw/zinc/15/27/37/638152737.db2.gz YPLPRDKVISOWRE-WCBMZHEXSA-N -1 1 388.364 -0.068 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704607 638152544 /nfs/dbraw/zinc/15/25/44/638152544.db2.gz YPLPRDKVISOWRE-WPRPVWTQSA-N -1 1 388.364 -0.068 20 0 GBADMM CS(=O)(=O)CCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704612 638152712 /nfs/dbraw/zinc/15/27/12/638152712.db2.gz YRUAYSBXICKVFI-PSASIEDQSA-N -1 1 388.364 -0.066 20 0 GBADMM CS(=O)(=O)CCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704613 638152564 /nfs/dbraw/zinc/15/25/64/638152564.db2.gz YRUAYSBXICKVFI-SCZZXKLOSA-N -1 1 388.364 -0.066 20 0 GBADMM CS(=O)(=O)CCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704614 638152560 /nfs/dbraw/zinc/15/25/60/638152560.db2.gz YRUAYSBXICKVFI-WCBMZHEXSA-N -1 1 388.364 -0.066 20 0 GBADMM CS(=O)(=O)CCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704615 638153655 /nfs/dbraw/zinc/15/36/55/638153655.db2.gz YRUAYSBXICKVFI-WPRPVWTQSA-N -1 1 388.364 -0.066 20 0 GBADMM COC(=O)c1oc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCOCC2)cc1C ZINC000851759001 638153477 /nfs/dbraw/zinc/15/34/77/638153477.db2.gz ODJFQDOUQSLPKK-UHFFFAOYSA-N -1 1 396.443 -0.685 20 0 GBADMM CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852734499 638161184 /nfs/dbraw/zinc/16/11/84/638161184.db2.gz BQRCQQLYRACDTL-NXEZZACHSA-N -1 1 389.396 -0.088 20 0 GBADMM CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852734501 638160997 /nfs/dbraw/zinc/16/09/97/638160997.db2.gz BQRCQQLYRACDTL-UWVGGRQHSA-N -1 1 389.396 -0.088 20 0 GBADMM 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Cc1ccn(C[C@@](C)(O)C(=O)NCc2nc(-c3nnn[n-]3)cs2)c(=O)c1 ZINC001571116598 952475687 /nfs/dbraw/zinc/47/56/87/952475687.db2.gz ABXLEDINPQYZLN-OAHLLOKOSA-N -1 1 375.414 -0.139 20 0 GBADMM Cc1nsc(N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)c1-c1nn[n-]n1 ZINC001571116635 952477133 /nfs/dbraw/zinc/47/71/33/952477133.db2.gz ATMBSAPGDZTICF-SECBINFHSA-N -1 1 375.422 -0.597 20 0 GBADMM Cc1nsc(N[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571116639 952476975 /nfs/dbraw/zinc/47/69/75/952476975.db2.gz AWNXRIFRFIANON-HTRCEHHLSA-N -1 1 375.422 -0.272 20 0 GBADMM Cn1cnnc1N1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001571116642 952476695 /nfs/dbraw/zinc/47/66/95/952476695.db2.gz AXPHIYBLQRNXFG-UHFFFAOYSA-N -1 1 375.422 -0.517 20 0 GBADMM Cn1cnnc1N1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001571116642 952476686 /nfs/dbraw/zinc/47/66/86/952476686.db2.gz AXPHIYBLQRNXFG-UHFFFAOYSA-N -1 1 375.422 -0.517 20 0 GBADMM Cc1nsc(NC2CCN(C(=O)c3nnn(C)n3)CC2)c1-c1nn[n-]n1 ZINC001571116797 952477182 /nfs/dbraw/zinc/47/71/82/952477182.db2.gz CNAWOSBMUFPROF-UHFFFAOYSA-N -1 1 375.422 -0.128 20 0 GBADMM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)c3nnn(C)n3)C2)c1-c1nn[n-]n1 ZINC001571117020 952479834 /nfs/dbraw/zinc/47/98/34/952479834.db2.gz GBEWVJKCFYNLFD-OCAPTIKFSA-N -1 1 375.422 -0.224 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001571117165 952479631 /nfs/dbraw/zinc/47/96/31/952479631.db2.gz HPHBLGOBALQJGG-NSHDSACASA-N -1 1 375.437 -0.038 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001571117165 952479630 /nfs/dbraw/zinc/47/96/30/952479630.db2.gz HPHBLGOBALQJGG-NSHDSACASA-N -1 1 375.437 -0.038 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@H](C)CN2CCOCC2)c(=O)n1C1CC1 ZINC001571117500 952482065 /nfs/dbraw/zinc/48/20/65/952482065.db2.gz LLKMWGPAWRWYCI-LLVKDONJSA-N -1 1 375.433 -0.198 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@@H](C)CN2CCOCC2)c(=O)n1C1CC1 ZINC001571117501 952481970 /nfs/dbraw/zinc/48/19/70/952481970.db2.gz LLKMWGPAWRWYCI-NSHDSACASA-N -1 1 375.433 -0.198 20 0 GBADMM Cc1nsc(N2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571117643 952483283 /nfs/dbraw/zinc/48/32/83/952483283.db2.gz OBFBLIMJXBZLFC-ZJUUUORDSA-N -1 1 375.418 -0.806 20 0 GBADMM C[C@H](C(=O)N(C)CC(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cccn1 ZINC001571117711 952483309 /nfs/dbraw/zinc/48/33/09/952483309.db2.gz ORFNHYXBCJQDKF-SECBINFHSA-N -1 1 375.418 -0.145 20 0 GBADMM C[C@H](C(=O)N(C)CC(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cccn1 ZINC001571117711 952483308 /nfs/dbraw/zinc/48/33/08/952483308.db2.gz ORFNHYXBCJQDKF-SECBINFHSA-N -1 1 375.418 -0.145 20 0 GBADMM C[C@@H](C(=O)N(C)CC(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cccn1 ZINC001571117712 952483064 /nfs/dbraw/zinc/48/30/64/952483064.db2.gz ORFNHYXBCJQDKF-VIFPVBQESA-N -1 1 375.418 -0.145 20 0 GBADMM C[C@@H](C(=O)N(C)CC(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cccn1 ZINC001571117712 952483061 /nfs/dbraw/zinc/48/30/61/952483061.db2.gz ORFNHYXBCJQDKF-VIFPVBQESA-N -1 1 375.418 -0.145 20 0 GBADMM Cc1nsc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571117713 952483576 /nfs/dbraw/zinc/48/35/76/952483576.db2.gz ORLSBWZEIAWKMU-ZJUUUORDSA-N -1 1 375.418 -0.737 20 0 GBADMM Cc1nsc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)c1-c1nn[n-]n1 ZINC001571117800 952484532 /nfs/dbraw/zinc/48/45/32/952484532.db2.gz QSQAVJLSUYKQDH-VIFPVBQESA-N -1 1 375.422 -0.597 20 0 GBADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)Cn3ncnn3)C2)c1-c1nn[n-]n1 ZINC001571117828 952485238 /nfs/dbraw/zinc/48/52/38/952485238.db2.gz RBGIOXRTZVAQNM-SECBINFHSA-N -1 1 375.422 -0.645 20 0 GBADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)Cn3ncnn3)C2)c1-c1nn[n-]n1 ZINC001571117830 952485850 /nfs/dbraw/zinc/48/58/50/952485850.db2.gz RBGIOXRTZVAQNM-VIFPVBQESA-N -1 1 375.422 -0.645 20 0 GBADMM Cc1nsc(N[C@H]2C[C@@H](C)N(C(=O)Cn3ncnn3)C2)c1-c1nn[n-]n1 ZINC001571118267 952487262 /nfs/dbraw/zinc/48/72/62/952487262.db2.gz UVNVJBLTKOXWMY-APPZFPTMSA-N -1 1 375.422 -0.280 20 0 GBADMM Cc1nsc(N[C@H]2C[C@H](C)N(C(=O)Cn3ncnn3)C2)c1-c1nn[n-]n1 ZINC001571118272 952486559 /nfs/dbraw/zinc/48/65/59/952486559.db2.gz UVNVJBLTKOXWMY-CBAPKCEASA-N -1 1 375.422 -0.280 20 0 GBADMM Cc1nsc(N[C@@H]2C[C@H](C)N(C(=O)Cn3ncnn3)C2)c1-c1nn[n-]n1 ZINC001571118274 952486770 /nfs/dbraw/zinc/48/67/70/952486770.db2.gz UVNVJBLTKOXWMY-IONNQARKSA-N -1 1 375.422 -0.280 20 0 GBADMM Cc1nsc(N[C@@H]2C[C@@H](C)N(C(=O)Cn3ncnn3)C2)c1-c1nn[n-]n1 ZINC001571118276 952486644 /nfs/dbraw/zinc/48/66/44/952486644.db2.gz UVNVJBLTKOXWMY-VXNVDRBHSA-N -1 1 375.422 -0.280 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)[nH]n1 ZINC001571118699 952489409 /nfs/dbraw/zinc/48/94/09/952489409.db2.gz YVQLUZNZTRGTNT-ZJUUUORDSA-N -1 1 375.418 -0.357 20 0 GBADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571119361 952489601 /nfs/dbraw/zinc/48/96/01/952489601.db2.gz ADAVXEDRPHGQGY-RKDXNWHRSA-N -1 1 376.377 -0.436 20 0 GBADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571119361 952489598 /nfs/dbraw/zinc/48/95/98/952489598.db2.gz ADAVXEDRPHGQGY-RKDXNWHRSA-N -1 1 376.377 -0.436 20 0 GBADMM O=C(N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001571119382 952491062 /nfs/dbraw/zinc/49/10/62/952491062.db2.gz AOFNUPLSJUULHP-BDJLRTHQSA-N -1 1 376.396 -0.142 20 0 GBADMM O=C(N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@]1(F)CCOC1 ZINC001571119383 952490424 /nfs/dbraw/zinc/49/04/24/952490424.db2.gz AOFNUPLSJUULHP-BZNIZROVSA-N -1 1 376.396 -0.142 20 0 GBADMM O=C(N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001571119385 952491317 /nfs/dbraw/zinc/49/13/17/952491317.db2.gz AOFNUPLSJUULHP-MEDUHNTESA-N -1 1 376.396 -0.142 20 0 GBADMM O=C(N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@]1(F)CCOC1 ZINC001571119388 952490670 /nfs/dbraw/zinc/49/06/70/952490670.db2.gz AOFNUPLSJUULHP-ZBEGNZNMSA-N -1 1 376.396 -0.142 20 0 GBADMM CS(=O)(=O)NCCc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001571119408 952491418 /nfs/dbraw/zinc/49/14/18/952491418.db2.gz BDEKQVOLJOVXDM-UHFFFAOYSA-N -1 1 376.402 -0.567 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1ccc(Cl)[nH]1 ZINC001571119447 952491218 /nfs/dbraw/zinc/49/12/18/952491218.db2.gz AZDAODNYMBQBHD-BDAKNGLRSA-N -1 1 375.780 -0.382 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1ccc(Cl)[nH]1 ZINC001571119447 952491217 /nfs/dbraw/zinc/49/12/17/952491217.db2.gz AZDAODNYMBQBHD-BDAKNGLRSA-N -1 1 375.780 -0.382 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)CC(C)(C)C2CC2)c(=O)n1CCO ZINC001571119516 952492623 /nfs/dbraw/zinc/49/26/23/952492623.db2.gz CKOPPIFZGWHUEP-UHFFFAOYSA-N -1 1 376.417 -0.114 20 0 GBADMM Cc1nc(C)c(CCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571119545 952492315 /nfs/dbraw/zinc/49/23/15/952492315.db2.gz COXJBNSUTNAWCF-UHFFFAOYSA-N -1 1 376.402 -0.439 20 0 GBADMM Cc1cnc([C@H](C)CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571119764 952493550 /nfs/dbraw/zinc/49/35/50/952493550.db2.gz FLLBGYBYZUKWAQ-SSDOTTSWSA-N -1 1 376.402 -0.186 20 0 GBADMM Cc1cnc([C@@H](C)CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571119767 952493801 /nfs/dbraw/zinc/49/38/01/952493801.db2.gz FLLBGYBYZUKWAQ-ZETCQYMHSA-N -1 1 376.402 -0.186 20 0 GBADMM CO[C@H]1C[C@H](CNC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001571119773 952493673 /nfs/dbraw/zinc/49/36/73/952493673.db2.gz DPBXOCNTNRJREQ-CZMCAQCFSA-N -1 1 376.377 -0.880 20 0 GBADMM Cc1ncsc1CCC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571119832 952495222 /nfs/dbraw/zinc/49/52/22/952495222.db2.gz GKIAWSCWUYGFPC-UHFFFAOYSA-N -1 1 376.402 -0.357 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)co1 ZINC001571120099 952499077 /nfs/dbraw/zinc/49/90/77/952499077.db2.gz JIVPWCVRTRJOPK-SCZZXKLOSA-N -1 1 376.402 -0.092 20 0 GBADMM O=C(N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCOCC1 ZINC001571120110 952499428 /nfs/dbraw/zinc/49/94/28/952499428.db2.gz JKKFRIVGZOQDJI-LLVKDONJSA-N -1 1 376.396 -0.142 20 0 GBADMM O=C(N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCOCC1 ZINC001571120111 952498789 /nfs/dbraw/zinc/49/87/89/952498789.db2.gz JKKFRIVGZOQDJI-NSHDSACASA-N -1 1 376.396 -0.142 20 0 GBADMM Cc1ccsc1CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571120160 952500476 /nfs/dbraw/zinc/50/04/76/952500476.db2.gz KFFUYQJPJKLMCX-UHFFFAOYSA-N -1 1 376.402 -0.002 20 0 GBADMM O=C(c1cnn(C(F)F)c1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571120162 952500053 /nfs/dbraw/zinc/50/00/53/952500053.db2.gz IKGRQKHHWRNPJJ-SECBINFHSA-N -1 1 376.331 -0.003 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cc(Cl)c[nH]1 ZINC001571120212 952500734 /nfs/dbraw/zinc/50/07/34/952500734.db2.gz JJVUORAECIRCBV-GHMZBOCLSA-N -1 1 375.780 -0.382 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cc(Cl)c[nH]1 ZINC001571120212 952500723 /nfs/dbraw/zinc/50/07/23/952500723.db2.gz JJVUORAECIRCBV-GHMZBOCLSA-N -1 1 375.780 -0.382 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2cc(CO)ccc2F)c(=O)n1CCO ZINC001571120233 952502375 /nfs/dbraw/zinc/50/23/75/952502375.db2.gz JYSANOACJVFXPG-UHFFFAOYSA-N -1 1 376.348 -0.829 20 0 GBADMM Cc1nsc(N2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571120361 952502311 /nfs/dbraw/zinc/50/23/11/952502311.db2.gz LQWMQLMCYWMZOQ-ZJUUUORDSA-N -1 1 376.402 -0.472 20 0 GBADMM CC[C@@H](OC)C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571120381 952501403 /nfs/dbraw/zinc/50/14/03/952501403.db2.gz LXYBWYLEEHDENX-LLVKDONJSA-N -1 1 376.421 -0.153 20 0 GBADMM CC[C@@H](OC)C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571120381 952501397 /nfs/dbraw/zinc/50/13/97/952501397.db2.gz LXYBWYLEEHDENX-LLVKDONJSA-N -1 1 376.421 -0.153 20 0 GBADMM CC[C@H](OC)C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571120382 952502516 /nfs/dbraw/zinc/50/25/16/952502516.db2.gz LXYBWYLEEHDENX-NSHDSACASA-N -1 1 376.421 -0.153 20 0 GBADMM CC[C@H](OC)C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571120382 952502512 /nfs/dbraw/zinc/50/25/12/952502512.db2.gz LXYBWYLEEHDENX-NSHDSACASA-N -1 1 376.421 -0.153 20 0 GBADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C1(F)CCCCC1 ZINC001571120384 952501463 /nfs/dbraw/zinc/50/14/63/952501463.db2.gz LYSMYIBPPBBLJW-GHMZBOCLSA-N -1 1 376.396 -0.005 20 0 GBADMM CO[C@H](C)C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120400 952501883 /nfs/dbraw/zinc/50/18/83/952501883.db2.gz MLZOJLQNXGOKNW-NEPJUHHUSA-N -1 1 376.421 -0.519 20 0 GBADMM CO[C@H](C)C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120400 952501879 /nfs/dbraw/zinc/50/18/79/952501879.db2.gz MLZOJLQNXGOKNW-NEPJUHHUSA-N -1 1 376.421 -0.519 20 0 GBADMM CO[C@@H](C)C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120401 952502135 /nfs/dbraw/zinc/50/21/35/952502135.db2.gz MLZOJLQNXGOKNW-NWDGAFQWSA-N -1 1 376.421 -0.519 20 0 GBADMM CO[C@@H](C)C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120401 952502131 /nfs/dbraw/zinc/50/21/31/952502131.db2.gz MLZOJLQNXGOKNW-NWDGAFQWSA-N -1 1 376.421 -0.519 20 0 GBADMM CO[C@@H](C)C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120402 952503227 /nfs/dbraw/zinc/50/32/27/952503227.db2.gz MLZOJLQNXGOKNW-RYUDHWBXSA-N -1 1 376.421 -0.519 20 0 GBADMM CO[C@@H](C)C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120402 952503220 /nfs/dbraw/zinc/50/32/20/952503220.db2.gz MLZOJLQNXGOKNW-RYUDHWBXSA-N -1 1 376.421 -0.519 20 0 GBADMM CO[C@H](C)C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120403 952504020 /nfs/dbraw/zinc/50/40/20/952504020.db2.gz MLZOJLQNXGOKNW-VXGBXAGGSA-N -1 1 376.421 -0.519 20 0 GBADMM CO[C@H](C)C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120403 952504015 /nfs/dbraw/zinc/50/40/15/952504015.db2.gz MLZOJLQNXGOKNW-VXGBXAGGSA-N -1 1 376.421 -0.519 20 0 GBADMM CO[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571120430 952503166 /nfs/dbraw/zinc/50/31/66/952503166.db2.gz MQEVHOVPEOOVOZ-BDJLRTHQSA-N -1 1 376.421 -0.235 20 0 GBADMM CO[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571120430 952503161 /nfs/dbraw/zinc/50/31/61/952503161.db2.gz MQEVHOVPEOOVOZ-BDJLRTHQSA-N -1 1 376.421 -0.235 20 0 GBADMM 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ZINC001571122310 952524882 /nfs/dbraw/zinc/52/48/82/952524882.db2.gz IPYCBSCLMYXYTF-AEJSXWLSSA-N -1 1 376.446 -0.162 20 0 GBADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC001571122313 952525038 /nfs/dbraw/zinc/52/50/38/952525038.db2.gz IPYCBSCLMYXYTF-BBBLOLIVSA-N -1 1 376.446 -0.162 20 0 GBADMM O=C(Cc1ccc(F)c(F)c1)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571122365 952525190 /nfs/dbraw/zinc/52/51/90/952525190.db2.gz IYUSBWKBIOKTQP-UHFFFAOYSA-N -1 1 377.311 -0.234 20 0 GBADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571122789 952526334 /nfs/dbraw/zinc/52/63/34/952526334.db2.gz LFOZISYRWBHMJI-UWVGGRQHSA-N -1 1 376.446 -0.005 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)Nc2cc(F)ccc2F)c(=O)n1C ZINC001571122820 952526458 /nfs/dbraw/zinc/52/64/58/952526458.db2.gz MAWWVBQIQDBJTF-UHFFFAOYSA-N -1 1 377.311 -0.048 20 0 GBADMM Cc1nsc(N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)c1-c1nn[n-]n1 ZINC001571122826 952526891 /nfs/dbraw/zinc/52/68/91/952526891.db2.gz MCMJHKMPTSIQCX-JTQLQIEISA-N -1 1 376.446 -0.194 20 0 GBADMM Cc1nsc(N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)c1-c1nn[n-]n1 ZINC001571122827 952526210 /nfs/dbraw/zinc/52/62/10/952526210.db2.gz MCMJHKMPTSIQCX-SNVBAGLBSA-N -1 1 376.446 -0.194 20 0 GBADMM Cc1nsc(N2CC[C@@H](NC(=O)CN3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC001571123063 952527916 /nfs/dbraw/zinc/52/79/16/952527916.db2.gz NCGROKIVGPJQMQ-SNVBAGLBSA-N -1 1 376.446 -0.051 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccoc1Cl ZINC001571123367 952528979 /nfs/dbraw/zinc/52/89/79/952528979.db2.gz QRUDHMOWMYZAPS-NXEZZACHSA-N -1 1 376.764 -0.117 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccoc1Cl ZINC001571123367 952528976 /nfs/dbraw/zinc/52/89/76/952528976.db2.gz QRUDHMOWMYZAPS-NXEZZACHSA-N -1 1 376.764 -0.117 20 0 GBADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1-c1nn[n-]n1 ZINC001571123442 952530503 /nfs/dbraw/zinc/53/05/03/952530503.db2.gz RZZRCMSVOVSBQF-SFKDOBOXSA-N -1 1 376.446 -0.306 20 0 GBADMM Cc1nsc(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571123732 952531613 /nfs/dbraw/zinc/53/16/13/952531613.db2.gz VHHZPOURSKYCRP-JTQLQIEISA-N -1 1 376.446 -0.005 20 0 GBADMM Cc1nsc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)c1-c1nn[n-]n1 ZINC001571124023 952534200 /nfs/dbraw/zinc/53/42/00/952534200.db2.gz XHGFPTXOWPQFRW-UWVGGRQHSA-N -1 1 376.446 -0.005 20 0 GBADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)c1-c1nn[n-]n1 ZINC001571124024 952534223 /nfs/dbraw/zinc/53/42/23/952534223.db2.gz XHGFPTXOWPQFRW-ZJUUUORDSA-N -1 1 376.446 -0.005 20 0 GBADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1-c1nn[n-]n1 ZINC001571124026 952534046 /nfs/dbraw/zinc/53/40/46/952534046.db2.gz XHZCTYFUOULQDU-AEJSXWLSSA-N -1 1 376.446 -0.162 20 0 GBADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1-c1nn[n-]n1 ZINC001571124028 952533404 /nfs/dbraw/zinc/53/34/04/952533404.db2.gz XHZCTYFUOULQDU-BBBLOLIVSA-N -1 1 376.446 -0.162 20 0 GBADMM Cc1nsc(N2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571124159 952535095 /nfs/dbraw/zinc/53/50/95/952535095.db2.gz ZRTFPSPWWHJCAX-NXEZZACHSA-N -1 1 376.446 -0.147 20 0 GBADMM Cc1nsc(N2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571124160 952535355 /nfs/dbraw/zinc/53/53/55/952535355.db2.gz ZRTFPSPWWHJCAX-VHSXEESVSA-N -1 1 376.446 -0.147 20 0 GBADMM COC(=O)C1(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCCC1 ZINC001571124220 952535292 /nfs/dbraw/zinc/53/52/92/952535292.db2.gz BMCUCFPEGACNRN-UHFFFAOYSA-N -1 1 377.361 -0.879 20 0 GBADMM CC(C)(C)c1nsc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001571124231 952535232 /nfs/dbraw/zinc/53/52/32/952535232.db2.gz BWTDCASGCIKCEJ-UHFFFAOYSA-N -1 1 377.390 -0.083 20 0 GBADMM CC(C)(C)[C@H]1CN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571124256 952535977 /nfs/dbraw/zinc/53/59/77/952535977.db2.gz CUSQXJANWAQRDD-LLVKDONJSA-N -1 1 377.405 -0.207 20 0 GBADMM CC(C)(C)[C@@H]1CN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571124257 952536181 /nfs/dbraw/zinc/53/61/81/952536181.db2.gz CUSQXJANWAQRDD-NSHDSACASA-N -1 1 377.405 -0.207 20 0 GBADMM COC[C@@H]1CCCCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571124262 952536482 /nfs/dbraw/zinc/53/64/82/952536482.db2.gz CZPGZGWRSQVQOT-LLVKDONJSA-N -1 1 377.405 -0.206 20 0 GBADMM COC[C@H]1CCCCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571124263 952536525 /nfs/dbraw/zinc/53/65/25/952536525.db2.gz CZPGZGWRSQVQOT-NSHDSACASA-N -1 1 377.405 -0.206 20 0 GBADMM Cc1nnc([C@H](C)NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571124285 952536401 /nfs/dbraw/zinc/53/64/01/952536401.db2.gz DNZZTQZMTQHJTN-LURJTMIESA-N -1 1 377.390 -0.444 20 0 GBADMM Cc1nnc([C@@H](C)NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571124286 952536660 /nfs/dbraw/zinc/53/66/60/952536660.db2.gz DNZZTQZMTQHJTN-ZCFIWIBFSA-N -1 1 377.390 -0.444 20 0 GBADMM CCCc1nnc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571124299 952536205 /nfs/dbraw/zinc/53/62/05/952536205.db2.gz DYGIRASQFSMEEJ-UHFFFAOYSA-N -1 1 377.390 -0.038 20 0 GBADMM CCC[C@@H]1C[C@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571124304 952536273 /nfs/dbraw/zinc/53/62/73/952536273.db2.gz FDWZVSJRPCEFMW-GHMZBOCLSA-N -1 1 377.405 -0.160 20 0 GBADMM CCC[C@H]1C[C@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571124305 952536620 /nfs/dbraw/zinc/53/66/20/952536620.db2.gz FDWZVSJRPCEFMW-MNOVXSKESA-N -1 1 377.405 -0.160 20 0 GBADMM CCC[C@H]1C[C@@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571124306 952536670 /nfs/dbraw/zinc/53/66/70/952536670.db2.gz FDWZVSJRPCEFMW-QWRGUYRKSA-N -1 1 377.405 -0.160 20 0 GBADMM CCC[C@@H]1C[C@@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571124307 952535964 /nfs/dbraw/zinc/53/59/64/952535964.db2.gz FDWZVSJRPCEFMW-WDEREUQCSA-N -1 1 377.405 -0.160 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N2CC3(C2)CN(C)C(=O)O3)cc1-c1nn[n-]n1 ZINC001571124325 952537828 /nfs/dbraw/zinc/53/78/28/952537828.db2.gz FTHOJTUUEBLAFS-UHFFFAOYSA-N -1 1 377.386 -0.034 20 0 GBADMM COCc1csc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001571124413 952538127 /nfs/dbraw/zinc/53/81/27/952538127.db2.gz IDQFEPCRIQLFOQ-UHFFFAOYSA-N -1 1 377.386 -0.233 20 0 GBADMM C[C@@H](CCO)C1(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC1 ZINC001571124446 952538479 /nfs/dbraw/zinc/53/84/79/952538479.db2.gz JDWFDJFFTMEJQY-JTQLQIEISA-N -1 1 377.405 -0.566 20 0 GBADMM C[C@H](CCO)C1(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC1 ZINC001571124447 952538933 /nfs/dbraw/zinc/53/89/33/952538933.db2.gz JDWFDJFFTMEJQY-SNVBAGLBSA-N -1 1 377.405 -0.566 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H](CO)C1CCCCC1 ZINC001571124452 952538207 /nfs/dbraw/zinc/53/82/07/952538207.db2.gz JJWUSEOCYDWIHJ-GFCCVEGCSA-N -1 1 377.405 -0.424 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H](CO)C1CCCCC1 ZINC001571124453 952538902 /nfs/dbraw/zinc/53/89/02/952538902.db2.gz JJWUSEOCYDWIHJ-LBPRGKRZSA-N -1 1 377.405 -0.424 20 0 GBADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC2(C(=O)OC)CCOCC2)c1 ZINC001571124474 952538294 /nfs/dbraw/zinc/53/82/94/952538294.db2.gz KDFWGIHLAAAIAH-UHFFFAOYSA-N -1 1 377.357 -0.215 20 0 GBADMM COCCC1(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCC1 ZINC001571124487 952539916 /nfs/dbraw/zinc/53/99/16/952539916.db2.gz KOQMBSHUVSTLPT-UHFFFAOYSA-N -1 1 377.405 -0.158 20 0 GBADMM Cc1nonc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O ZINC001571124514 952540400 /nfs/dbraw/zinc/54/04/00/952540400.db2.gz LHHCHJCMUJIYNB-HTQZYQBOSA-N -1 1 377.390 -0.697 20 0 GBADMM CON1CCC(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CC1 ZINC001571124552 952540387 /nfs/dbraw/zinc/54/03/87/952540387.db2.gz MMMUWWNSRUDERY-UHFFFAOYSA-N -1 1 377.409 -0.362 20 0 GBADMM CON1CCC(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CC1 ZINC001571124552 952540382 /nfs/dbraw/zinc/54/03/82/952540382.db2.gz MMMUWWNSRUDERY-UHFFFAOYSA-N -1 1 377.409 -0.362 20 0 GBADMM COC(=O)CC[C@H]1CCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001571124562 952540834 /nfs/dbraw/zinc/54/08/34/952540834.db2.gz NATLKTARVWXIKM-LLVKDONJSA-N -1 1 377.409 -0.167 20 0 GBADMM COC(=O)CC[C@@H]1CCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001571124563 952541409 /nfs/dbraw/zinc/54/14/09/952541409.db2.gz NATLKTARVWXIKM-NSHDSACASA-N -1 1 377.409 -0.167 20 0 GBADMM C[C@@]1(CCCO)CCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124566 952541565 /nfs/dbraw/zinc/54/15/65/952541565.db2.gz NEOGAOPRFYBMDF-INIZCTEOSA-N -1 1 377.405 -0.327 20 0 GBADMM C[C@]1(CCCO)CCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124567 952541742 /nfs/dbraw/zinc/54/17/42/952541742.db2.gz NEOGAOPRFYBMDF-MRXNPFEDSA-N -1 1 377.405 -0.327 20 0 GBADMM CC1(C)C[C@@H](O)CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571124591 952540856 /nfs/dbraw/zinc/54/08/56/952540856.db2.gz OAVVNOZNWPDBMO-JTQLQIEISA-N -1 1 377.405 -0.471 20 0 GBADMM CC1(C)C[C@H](O)CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571124592 952541637 /nfs/dbraw/zinc/54/16/37/952541637.db2.gz OAVVNOZNWPDBMO-SNVBAGLBSA-N -1 1 377.405 -0.471 20 0 GBADMM CC1(C)CO[C@@H](CCNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571124597 952541701 /nfs/dbraw/zinc/54/17/01/952541701.db2.gz OMBGXXFNVNMNMS-JTQLQIEISA-N -1 1 377.405 -0.160 20 0 GBADMM CC1(C)CO[C@H](CCNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571124598 952540755 /nfs/dbraw/zinc/54/07/55/952540755.db2.gz OMBGXXFNVNMNMS-SNVBAGLBSA-N -1 1 377.405 -0.160 20 0 GBADMM CC(C)c1nnsc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124630 952541683 /nfs/dbraw/zinc/54/16/83/952541683.db2.gz PRFYJEQBECUPNV-UHFFFAOYSA-N -1 1 377.390 -0.466 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCCc1cc(F)ccc1F ZINC001571124642 952543086 /nfs/dbraw/zinc/54/30/86/952543086.db2.gz QARHJOPWRLOXJN-UHFFFAOYSA-N -1 1 377.311 -0.234 20 0 GBADMM CCC[C@@]1(COC)CCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124677 952543209 /nfs/dbraw/zinc/54/32/09/952543209.db2.gz RBRSGRMDLJEOIK-INIZCTEOSA-N -1 1 377.405 -0.063 20 0 GBADMM CCC[C@]1(COC)CCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124678 952542570 /nfs/dbraw/zinc/54/25/70/952542570.db2.gz RBRSGRMDLJEOIK-MRXNPFEDSA-N -1 1 377.405 -0.063 20 0 GBADMM CO[C@@]1(C)C[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001571124683 952542800 /nfs/dbraw/zinc/54/28/00/952542800.db2.gz RCHMKYXELABUHU-HWPZZCPQSA-N -1 1 377.405 -0.161 20 0 GBADMM CO[C@]1(C)C[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001571124684 952542765 /nfs/dbraw/zinc/54/27/65/952542765.db2.gz RCHMKYXELABUHU-MGPLVRAMSA-N -1 1 377.405 -0.161 20 0 GBADMM CO[C@@]1(C)C[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001571124685 952542946 /nfs/dbraw/zinc/54/29/46/952542946.db2.gz RCHMKYXELABUHU-QFYYESIMSA-N -1 1 377.405 -0.161 20 0 GBADMM CO[C@]1(C)C[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001571124686 952542751 /nfs/dbraw/zinc/54/27/51/952542751.db2.gz RCHMKYXELABUHU-QLJPJBMISA-N -1 1 377.405 -0.161 20 0 GBADMM CC(C)(CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1(O)CCCC1 ZINC001571124700 952542644 /nfs/dbraw/zinc/54/26/44/952542644.db2.gz RNFJRDHXPNMCCM-UHFFFAOYSA-N -1 1 377.405 -0.424 20 0 GBADMM O=C(NCCc1cscn1)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124709 952542491 /nfs/dbraw/zinc/54/24/91/952542491.db2.gz RRQXBBNWGSXINQ-UHFFFAOYSA-N -1 1 377.390 -0.873 20 0 GBADMM COCCN(C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCC1 ZINC001571124741 952543845 /nfs/dbraw/zinc/54/38/45/952543845.db2.gz SUSQUFPTDRPNBT-UHFFFAOYSA-N -1 1 377.405 -0.063 20 0 GBADMM O=C(CCCC1CCOCC1)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124827 952545468 /nfs/dbraw/zinc/54/54/68/952545468.db2.gz VWJPGWPJBBTLDN-UHFFFAOYSA-N -1 1 377.405 -0.158 20 0 GBADMM COC(=O)[C@@H]1CCCCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124855 952545399 /nfs/dbraw/zinc/54/53/99/952545399.db2.gz WMPNZLDPDCGYIG-JTQLQIEISA-N -1 1 377.361 -0.927 20 0 GBADMM COC(=O)[C@H]1CCCCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571124856 952545511 /nfs/dbraw/zinc/54/55/11/952545511.db2.gz WMPNZLDPDCGYIG-SNVBAGLBSA-N -1 1 377.361 -0.927 20 0 GBADMM COC(=O)CC1(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001571124859 952545224 /nfs/dbraw/zinc/54/52/24/952545224.db2.gz WQRFLHMNJFFOQS-UHFFFAOYSA-N -1 1 377.409 -0.119 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CC2(CO1)CCOCC2 ZINC001571125006 952546190 /nfs/dbraw/zinc/54/61/90/952546190.db2.gz YCZZXTBYJVTCOZ-LLVKDONJSA-N -1 1 377.409 -0.657 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CC2(CO1)CCOCC2 ZINC001571125007 952546359 /nfs/dbraw/zinc/54/63/59/952546359.db2.gz YCZZXTBYJVTCOZ-NSHDSACASA-N -1 1 377.409 -0.657 20 0 GBADMM CCn1cc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)c(=O)[nH]c1=O ZINC001571125011 952546635 /nfs/dbraw/zinc/54/66/35/952546635.db2.gz YEXSVUHXPWGNBE-UHFFFAOYSA-N -1 1 377.390 -0.395 20 0 GBADMM CCn1cc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)c(=O)[nH]c1=O ZINC001571125011 952546630 /nfs/dbraw/zinc/54/66/30/952546630.db2.gz YEXSVUHXPWGNBE-UHFFFAOYSA-N -1 1 377.390 -0.395 20 0 GBADMM CCOC[C@@H]1CCCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571125015 952546092 /nfs/dbraw/zinc/54/60/92/952546092.db2.gz YJFSSFJHVQYVMN-LLVKDONJSA-N -1 1 377.405 -0.206 20 0 GBADMM CCOC[C@H]1CCCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571125016 952546232 /nfs/dbraw/zinc/54/62/32/952546232.db2.gz YJFSSFJHVQYVMN-NSHDSACASA-N -1 1 377.405 -0.206 20 0 GBADMM CC(C)[C@H]1CN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCO1 ZINC001571125032 952546498 /nfs/dbraw/zinc/54/64/98/952546498.db2.gz YOPRVXGCKAJQLE-GFCCVEGCSA-N -1 1 377.405 -0.207 20 0 GBADMM CC(C)[C@@H]1CN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCO1 ZINC001571125033 952546174 /nfs/dbraw/zinc/54/61/74/952546174.db2.gz YOPRVXGCKAJQLE-LBPRGKRZSA-N -1 1 377.405 -0.207 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1(CO)CCCCC1 ZINC001571125049 952546774 /nfs/dbraw/zinc/54/67/74/952546774.db2.gz YVHXAZMVEULHHF-UHFFFAOYSA-N -1 1 377.405 -0.422 20 0 GBADMM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001571125058 952547891 /nfs/dbraw/zinc/54/78/91/952547891.db2.gz ZIJBERCOUXVRFT-UHFFFAOYSA-N -1 1 377.361 -0.022 20 0 GBADMM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001571125058 952547890 /nfs/dbraw/zinc/54/78/90/952547890.db2.gz ZIJBERCOUXVRFT-UHFFFAOYSA-N -1 1 377.361 -0.022 20 0 GBADMM Cc1nsc(N2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571127010 952549411 /nfs/dbraw/zinc/54/94/11/952549411.db2.gz CHSPVTJGNFNGGB-MNOVXSKESA-N -1 1 377.430 -0.356 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1cc(Cl)ccn1 ZINC001571127360 952554077 /nfs/dbraw/zinc/55/40/77/952554077.db2.gz FHQCYPCBVYQJIU-UHFFFAOYSA-N -1 1 377.752 -0.001 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCc1ccc(O)c(Cl)c1 ZINC001571127556 952558455 /nfs/dbraw/zinc/55/84/55/952558455.db2.gz IAKXMNYXNQSQEA-UHFFFAOYSA-N -1 1 377.748 -0.196 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cc(O)ccc1Cl ZINC001571127558 952558569 /nfs/dbraw/zinc/55/85/69/952558569.db2.gz IHRQCEVDJGATHG-UHFFFAOYSA-N -1 1 377.748 -0.082 20 0 GBADMM Cc1nsc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571127749 952560024 /nfs/dbraw/zinc/56/00/24/952560024.db2.gz MLXOXCFQIYMFOL-SECBINFHSA-N -1 1 377.434 -0.602 20 0 GBADMM Cc1nsc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571127752 952559593 /nfs/dbraw/zinc/55/95/93/952559593.db2.gz MLXOXCFQIYMFOL-VIFPVBQESA-N -1 1 377.434 -0.602 20 0 GBADMM CC(C)(C)c1nc(Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)cs1 ZINC001571127824 952560781 /nfs/dbraw/zinc/56/07/81/952560781.db2.gz OIZKHVZPPNVFAT-UHFFFAOYSA-N -1 1 377.430 -0.015 20 0 GBADMM Cc1[nH]nc(Cl)c1C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571127887 952561061 /nfs/dbraw/zinc/56/10/61/952561061.db2.gz LTJWUDBAJYTBIH-UHFFFAOYSA-N -1 1 377.752 -0.489 20 0 GBADMM Cc1nsc(N2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571128933 952571776 /nfs/dbraw/zinc/57/17/76/952571776.db2.gz YGBUADHMCSYROP-BDAKNGLRSA-N -1 1 377.434 -0.744 20 0 GBADMM Cc1nsc(N2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571128941 952571842 /nfs/dbraw/zinc/57/18/42/952571842.db2.gz YGBUADHMCSYROP-DTWKUNHWSA-N -1 1 377.434 -0.744 20 0 GBADMM Cc1nsc(N2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571128943 952572089 /nfs/dbraw/zinc/57/20/89/952572089.db2.gz YGBUADHMCSYROP-IUCAKERBSA-N -1 1 377.434 -0.744 20 0 GBADMM Cc1nsc(N2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571128945 952572067 /nfs/dbraw/zinc/57/20/67/952572067.db2.gz YGBUADHMCSYROP-RKDXNWHRSA-N -1 1 377.434 -0.744 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)n1 ZINC001571129455 952574040 /nfs/dbraw/zinc/57/40/40/952574040.db2.gz CWXOIYUDCQPUQM-UHFFFAOYSA-N -1 1 378.393 -0.366 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)n1 ZINC001571129455 952574039 /nfs/dbraw/zinc/57/40/39/952574039.db2.gz CWXOIYUDCQPUQM-UHFFFAOYSA-N -1 1 378.393 -0.366 20 0 GBADMM O=c1c(-c2nn[n-]n2)cn(CCO)c(=O)n1CC1CCC2(CC1)OCCO2 ZINC001571129489 952575474 /nfs/dbraw/zinc/57/54/74/952575474.db2.gz FBIWJXFOVXUYPG-UHFFFAOYSA-N -1 1 378.389 -0.884 20 0 GBADMM CS(=O)(=O)c1cccc(OCCn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c1 ZINC001571129510 952575347 /nfs/dbraw/zinc/57/53/47/952575347.db2.gz FRQRRQVMTOXPFE-UHFFFAOYSA-N -1 1 378.370 -0.389 20 0 GBADMM Cc1noc([C@@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001571129540 952575297 /nfs/dbraw/zinc/57/52/97/952575297.db2.gz GMNRVJGJCDTQTP-GXSJLCMTSA-N -1 1 378.374 -0.238 20 0 GBADMM Cc1noc([C@@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001571129540 952575294 /nfs/dbraw/zinc/57/52/94/952575294.db2.gz GMNRVJGJCDTQTP-GXSJLCMTSA-N -1 1 378.374 -0.238 20 0 GBADMM COCCC(=O)N1CCC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001571129546 952575243 /nfs/dbraw/zinc/57/52/43/952575243.db2.gz GQEVLESYSCFOFH-UHFFFAOYSA-N -1 1 378.393 -0.895 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(C(F)F)nc1 ZINC001571129812 952576643 /nfs/dbraw/zinc/57/66/43/952576643.db2.gz JTMVPULOPJSKLP-UHFFFAOYSA-N -1 1 378.299 -0.108 20 0 GBADMM Cn1c(=O)[nH]c(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2nn[n-]n2)c1=O ZINC001571129890 952577490 /nfs/dbraw/zinc/57/74/90/952577490.db2.gz KWRJHRBWZLIVAN-UHFFFAOYSA-N -1 1 378.393 -0.689 20 0 GBADMM CC[C@@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCCO1 ZINC001571130483 952579905 /nfs/dbraw/zinc/57/99/05/952579905.db2.gz RNEREHVKYOPBHZ-GHMZBOCLSA-N -1 1 378.393 -0.614 20 0 GBADMM CC[C@@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCCO1 ZINC001571130485 952580133 /nfs/dbraw/zinc/58/01/33/952580133.db2.gz RNEREHVKYOPBHZ-MNOVXSKESA-N -1 1 378.393 -0.614 20 0 GBADMM CC[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCCO1 ZINC001571130486 952580918 /nfs/dbraw/zinc/58/09/18/952580918.db2.gz RNEREHVKYOPBHZ-QWRGUYRKSA-N -1 1 378.393 -0.614 20 0 GBADMM CC[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCCO1 ZINC001571130487 952581175 /nfs/dbraw/zinc/58/11/75/952581175.db2.gz RNEREHVKYOPBHZ-WDEREUQCSA-N -1 1 378.393 -0.614 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571130546 952580834 /nfs/dbraw/zinc/58/08/34/952580834.db2.gz STPHQUNWQDQWFQ-FCHSOHFDSA-N -1 1 378.368 -0.895 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571130547 952580667 /nfs/dbraw/zinc/58/06/67/952580667.db2.gz STPHQUNWQDQWFQ-IQMDTDKHSA-N -1 1 378.368 -0.895 20 0 GBADMM COC1([C@@H](C)NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC1 ZINC001571130560 952580455 /nfs/dbraw/zinc/58/04/55/952580455.db2.gz SYDDLVMLSAKTLR-SECBINFHSA-N -1 1 378.393 -0.614 20 0 GBADMM COC1([C@H](C)NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC1 ZINC001571130561 952580854 /nfs/dbraw/zinc/58/08/54/952580854.db2.gz SYDDLVMLSAKTLR-VIFPVBQESA-N -1 1 378.393 -0.614 20 0 GBADMM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571130690 952581713 /nfs/dbraw/zinc/58/17/13/952581713.db2.gz UPGFTSGSUZRKRQ-AXFHLTTASA-N -1 1 378.393 -0.364 20 0 GBADMM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571130691 952582015 /nfs/dbraw/zinc/58/20/15/952582015.db2.gz UPGFTSGSUZRKRQ-DCAQKATOSA-N -1 1 378.393 -0.364 20 0 GBADMM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571130692 952582036 /nfs/dbraw/zinc/58/20/36/952582036.db2.gz UPGFTSGSUZRKRQ-MXWKQRLJSA-N -1 1 378.393 -0.364 20 0 GBADMM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571130693 952581960 /nfs/dbraw/zinc/58/19/60/952581960.db2.gz UPGFTSGSUZRKRQ-VWYCJHECSA-N -1 1 378.393 -0.364 20 0 GBADMM C[C@@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCCOC1 ZINC001571130913 952582956 /nfs/dbraw/zinc/58/29/56/952582956.db2.gz YJPDCPMDKXKXQK-NXEZZACHSA-N -1 1 378.393 -0.757 20 0 GBADMM C[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCCOC1 ZINC001571130914 952582259 /nfs/dbraw/zinc/58/22/59/952582259.db2.gz YJPDCPMDKXKXQK-UWVGGRQHSA-N -1 1 378.393 -0.757 20 0 GBADMM C[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCCOC1 ZINC001571130915 952582676 /nfs/dbraw/zinc/58/26/76/952582676.db2.gz YJPDCPMDKXKXQK-VHSXEESVSA-N -1 1 378.393 -0.757 20 0 GBADMM C[C@@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCCOC1 ZINC001571130916 952582929 /nfs/dbraw/zinc/58/29/29/952582929.db2.gz YJPDCPMDKXKXQK-ZJUUUORDSA-N -1 1 378.393 -0.757 20 0 GBADMM COC(=O)[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)[C@@H](C)O ZINC001571130925 952582890 /nfs/dbraw/zinc/58/28/90/952582890.db2.gz YRUBSIJPIZGSQW-RNCFNFMXSA-N -1 1 378.389 -0.445 20 0 GBADMM Cc1cnc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)cn1 ZINC001571135667 952607187 /nfs/dbraw/zinc/60/71/87/952607187.db2.gz ANYUFNFMQVAAGF-TXEJJXNPSA-N -1 1 378.400 -0.036 20 0 GBADMM Cc1nccc(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001571135675 952606692 /nfs/dbraw/zinc/60/66/92/952606692.db2.gz AVIDPOPRAJLJNN-CNDDSTCGSA-N -1 1 378.400 -0.133 20 0 GBADMM Cc1nccc(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001571135675 952606685 /nfs/dbraw/zinc/60/66/85/952606685.db2.gz AVIDPOPRAJLJNN-CNDDSTCGSA-N -1 1 378.400 -0.133 20 0 GBADMM Cc1ncncc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571135754 952608015 /nfs/dbraw/zinc/60/80/15/952608015.db2.gz CQMWMEDMOLLTCN-TXEJJXNPSA-N -1 1 378.400 -0.036 20 0 GBADMM Cc1ncncc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571135754 952608013 /nfs/dbraw/zinc/60/80/13/952608013.db2.gz CQMWMEDMOLLTCN-TXEJJXNPSA-N -1 1 378.400 -0.036 20 0 GBADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC001571135784 952609089 /nfs/dbraw/zinc/60/90/89/952609089.db2.gz DLUGUTDRVPBROI-LLVKDONJSA-N -1 1 378.414 -0.075 20 0 GBADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC001571135785 952609271 /nfs/dbraw/zinc/60/92/71/952609271.db2.gz DLUGUTDRVPBROI-NSHDSACASA-N -1 1 378.414 -0.075 20 0 GBADMM Cc1cnc(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cn1 ZINC001571135788 952609081 /nfs/dbraw/zinc/60/90/81/952609081.db2.gz DPCXHFRWQOFMIJ-CNDDSTCGSA-N -1 1 378.400 -0.133 20 0 GBADMM O=C(CCc1ncccn1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571135796 952608898 /nfs/dbraw/zinc/60/88/98/952608898.db2.gz DWDYSJGLLNVSOY-RYUDHWBXSA-N -1 1 378.400 -0.131 20 0 GBADMM O=C(CCc1ncccn1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571135796 952608896 /nfs/dbraw/zinc/60/88/96/952608896.db2.gz DWDYSJGLLNVSOY-RYUDHWBXSA-N -1 1 378.400 -0.131 20 0 GBADMM Cc1ccnc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)n1 ZINC001571135824 952608675 /nfs/dbraw/zinc/60/86/75/952608675.db2.gz FILMXHVVWGVZRG-CNDDSTCGSA-N -1 1 378.400 -0.133 20 0 GBADMM Cc1ccnc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)n1 ZINC001571135824 952608671 /nfs/dbraw/zinc/60/86/71/952608671.db2.gz FILMXHVVWGVZRG-CNDDSTCGSA-N -1 1 378.400 -0.133 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571135841 952609069 /nfs/dbraw/zinc/60/90/69/952609069.db2.gz FZTDAAALKARAIM-GUBZILKMSA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571135841 952609066 /nfs/dbraw/zinc/60/90/66/952609066.db2.gz FZTDAAALKARAIM-GUBZILKMSA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571135842 952609047 /nfs/dbraw/zinc/60/90/47/952609047.db2.gz FZTDAAALKARAIM-OPRDCNLKSA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571135842 952609044 /nfs/dbraw/zinc/60/90/44/952609044.db2.gz FZTDAAALKARAIM-OPRDCNLKSA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)[C@H]1Cc2ccccc21 ZINC001571135868 952609607 /nfs/dbraw/zinc/60/96/07/952609607.db2.gz GRIBGDWIMGHIJM-BFHYXJOUSA-N -1 1 378.396 -0.338 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)[C@H]1Cc2ccccc21 ZINC001571135868 952609605 /nfs/dbraw/zinc/60/96/05/952609605.db2.gz GRIBGDWIMGHIJM-BFHYXJOUSA-N -1 1 378.396 -0.338 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)[C@@H]1Cc2ccccc21 ZINC001571135869 952610069 /nfs/dbraw/zinc/61/00/69/952610069.db2.gz GRIBGDWIMGHIJM-MGPQQGTHSA-N -1 1 378.396 -0.338 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)[C@@H]1Cc2ccccc21 ZINC001571135869 952610065 /nfs/dbraw/zinc/61/00/65/952610065.db2.gz GRIBGDWIMGHIJM-MGPQQGTHSA-N -1 1 378.396 -0.338 20 0 GBADMM Cc1ccnc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)n1 ZINC001571135890 952610198 /nfs/dbraw/zinc/61/01/98/952610198.db2.gz HDWMZMHLCDHFCT-TXEJJXNPSA-N -1 1 378.400 -0.036 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571135898 952609745 /nfs/dbraw/zinc/60/97/45/952609745.db2.gz HIBZIDKFEPVDGB-BBBLOLIVSA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571135898 952609736 /nfs/dbraw/zinc/60/97/36/952609736.db2.gz HIBZIDKFEPVDGB-BBBLOLIVSA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571135899 952609701 /nfs/dbraw/zinc/60/97/01/952609701.db2.gz HIBZIDKFEPVDGB-LPEHRKFASA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571135899 952609700 /nfs/dbraw/zinc/60/97/00/952609700.db2.gz HIBZIDKFEPVDGB-LPEHRKFASA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001571135910 952609648 /nfs/dbraw/zinc/60/96/48/952609648.db2.gz HRKCZCFCBGWRIP-UHFFFAOYSA-N -1 1 378.418 -0.097 20 0 GBADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001571135910 952609643 /nfs/dbraw/zinc/60/96/43/952609643.db2.gz HRKCZCFCBGWRIP-UHFFFAOYSA-N -1 1 378.418 -0.097 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135912 952609599 /nfs/dbraw/zinc/60/95/99/952609599.db2.gz HTASBONHMJYWNW-AOOOYVTPSA-N -1 1 378.418 -0.850 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135912 952609594 /nfs/dbraw/zinc/60/95/94/952609594.db2.gz HTASBONHMJYWNW-AOOOYVTPSA-N -1 1 378.418 -0.850 20 0 GBADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571135960 952611175 /nfs/dbraw/zinc/61/11/75/952611175.db2.gz JHMKRCNZVSKJIZ-BDAKNGLRSA-N -1 1 378.418 -0.223 20 0 GBADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571135961 952610789 /nfs/dbraw/zinc/61/07/89/952610789.db2.gz JHMKRCNZVSKJIZ-DTWKUNHWSA-N -1 1 378.418 -0.223 20 0 GBADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571135962 952610895 /nfs/dbraw/zinc/61/08/95/952610895.db2.gz JHMKRCNZVSKJIZ-IUCAKERBSA-N -1 1 378.418 -0.223 20 0 GBADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571135963 952611284 /nfs/dbraw/zinc/61/12/84/952611284.db2.gz JHMKRCNZVSKJIZ-RKDXNWHRSA-N -1 1 378.418 -0.223 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571135991 952611409 /nfs/dbraw/zinc/61/14/09/952611409.db2.gz JYLRYQTZKZCWAQ-PSASIEDQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571135991 952611405 /nfs/dbraw/zinc/61/14/05/952611405.db2.gz JYLRYQTZKZCWAQ-PSASIEDQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571135992 952611392 /nfs/dbraw/zinc/61/13/92/952611392.db2.gz JYLRYQTZKZCWAQ-SCZZXKLOSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571135992 952611389 /nfs/dbraw/zinc/61/13/89/952611389.db2.gz JYLRYQTZKZCWAQ-SCZZXKLOSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571135993 952611337 /nfs/dbraw/zinc/61/13/37/952611337.db2.gz JYLRYQTZKZCWAQ-WCBMZHEXSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571135993 952611334 /nfs/dbraw/zinc/61/13/34/952611334.db2.gz JYLRYQTZKZCWAQ-WCBMZHEXSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571135994 952611224 /nfs/dbraw/zinc/61/12/24/952611224.db2.gz JYLRYQTZKZCWAQ-WPRPVWTQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571135994 952611222 /nfs/dbraw/zinc/61/12/22/952611222.db2.gz JYLRYQTZKZCWAQ-WPRPVWTQSA-N -1 1 378.418 -0.897 20 0 GBADMM O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CS(=O)(=O)C1 ZINC001571136078 952612392 /nfs/dbraw/zinc/61/23/92/952612392.db2.gz LVFVSRWOGUJDRD-UHFFFAOYSA-N -1 1 378.418 -0.992 20 0 GBADMM O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CS(=O)(=O)C1 ZINC001571136078 952612391 /nfs/dbraw/zinc/61/23/91/952612391.db2.gz LVFVSRWOGUJDRD-UHFFFAOYSA-N -1 1 378.418 -0.992 20 0 GBADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CS(=O)(=O)C1 ZINC001571136079 952612176 /nfs/dbraw/zinc/61/21/76/952612176.db2.gz LVFVSRWOGUJDRD-WAAGHKOSSA-N -1 1 378.418 -0.992 20 0 GBADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CS(=O)(=O)C1 ZINC001571136079 952612173 /nfs/dbraw/zinc/61/21/73/952612173.db2.gz LVFVSRWOGUJDRD-WAAGHKOSSA-N -1 1 378.418 -0.992 20 0 GBADMM O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136115 952613125 /nfs/dbraw/zinc/61/31/25/952613125.db2.gz MSANZDPNWSSMFQ-KOLCDFICSA-N -1 1 378.418 -0.753 20 0 GBADMM O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136115 952613123 /nfs/dbraw/zinc/61/31/23/952613123.db2.gz MSANZDPNWSSMFQ-KOLCDFICSA-N -1 1 378.418 -0.753 20 0 GBADMM O=C([C@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136117 952612830 /nfs/dbraw/zinc/61/28/30/952612830.db2.gz MSANZDPNWSSMFQ-MWLCHTKSSA-N -1 1 378.418 -0.753 20 0 GBADMM O=C([C@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136117 952612828 /nfs/dbraw/zinc/61/28/28/952612828.db2.gz MSANZDPNWSSMFQ-MWLCHTKSSA-N -1 1 378.418 -0.753 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cn2c(n1)CCC2 ZINC001571136209 952613338 /nfs/dbraw/zinc/61/33/38/952613338.db2.gz OEHJAGHOXZMBNJ-RTUWITSCSA-N -1 1 378.400 -0.336 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cn2c(n1)CCC2 ZINC001571136209 952613333 /nfs/dbraw/zinc/61/33/33/952613333.db2.gz OEHJAGHOXZMBNJ-RTUWITSCSA-N -1 1 378.400 -0.336 20 0 GBADMM O=C(CCc1ccncn1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571136387 952613776 /nfs/dbraw/zinc/61/37/76/952613776.db2.gz OZDHGXNFHYEQOD-STQMWFEESA-N -1 1 378.400 -0.131 20 0 GBADMM O=C(CCc1ccncn1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571136387 952613773 /nfs/dbraw/zinc/61/37/73/952613773.db2.gz OZDHGXNFHYEQOD-STQMWFEESA-N -1 1 378.400 -0.131 20 0 GBADMM NC(=O)C1CC2(C1)C[C@@H](Nc1cncc(-c3nn[n-]n3)n1)CCS2(=O)=O ZINC001571136397 952613790 /nfs/dbraw/zinc/61/37/90/952613790.db2.gz PBQVHDVHYUEKEY-PUUHTONNSA-N -1 1 378.418 -0.720 20 0 GBADMM NC(=O)C1CC2(C1)C[C@@H](Nc1cncc(-c3nnn[n-]3)n1)CCS2(=O)=O ZINC001571136397 952613786 /nfs/dbraw/zinc/61/37/86/952613786.db2.gz PBQVHDVHYUEKEY-PUUHTONNSA-N -1 1 378.418 -0.720 20 0 GBADMM NC(=O)C1CC2(C1)C[C@H](Nc1cncc(-c3nn[n-]n3)n1)CCS2(=O)=O ZINC001571136398 952614299 /nfs/dbraw/zinc/61/42/99/952614299.db2.gz PBQVHDVHYUEKEY-ZYTOWTHASA-N -1 1 378.418 -0.720 20 0 GBADMM NC(=O)C1CC2(C1)C[C@H](Nc1cncc(-c3nnn[n-]3)n1)CCS2(=O)=O ZINC001571136398 952614295 /nfs/dbraw/zinc/61/42/95/952614295.db2.gz PBQVHDVHYUEKEY-ZYTOWTHASA-N -1 1 378.418 -0.720 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571136402 952613628 /nfs/dbraw/zinc/61/36/28/952613628.db2.gz PHDCMIDGIXXFBQ-SNVBAGLBSA-N -1 1 378.418 -0.896 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571136402 952613626 /nfs/dbraw/zinc/61/36/26/952613626.db2.gz PHDCMIDGIXXFBQ-SNVBAGLBSA-N -1 1 378.418 -0.896 20 0 GBADMM CN(C(=O)C1CS(=O)(=O)C1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571136416 952613945 /nfs/dbraw/zinc/61/39/45/952613945.db2.gz PTSHFSSQGFHNPY-UHFFFAOYSA-N -1 1 378.418 -0.897 20 0 GBADMM CN(C(=O)C1CS(=O)(=O)C1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571136416 952613940 /nfs/dbraw/zinc/61/39/40/952613940.db2.gz PTSHFSSQGFHNPY-UHFFFAOYSA-N -1 1 378.418 -0.897 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571136423 952614372 /nfs/dbraw/zinc/61/43/72/952614372.db2.gz QAZUGMGHWRHRBO-UHFFFAOYSA-N -1 1 378.418 -0.896 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571136423 952614369 /nfs/dbraw/zinc/61/43/69/952614369.db2.gz QAZUGMGHWRHRBO-UHFFFAOYSA-N -1 1 378.418 -0.896 20 0 GBADMM Cc1cc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)cnn1 ZINC001571136577 952615422 /nfs/dbraw/zinc/61/54/22/952615422.db2.gz RIPXBYKHIJIXGY-BETUJISGSA-N -1 1 378.400 -0.036 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571136614 952614854 /nfs/dbraw/zinc/61/48/54/952614854.db2.gz SWPKXXGKGKQSOI-JTQLQIEISA-N -1 1 378.418 -0.896 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571136614 952614852 /nfs/dbraw/zinc/61/48/52/952614852.db2.gz SWPKXXGKGKQSOI-JTQLQIEISA-N -1 1 378.418 -0.896 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571136615 952614724 /nfs/dbraw/zinc/61/47/24/952614724.db2.gz SWPKXXGKGKQSOI-SNVBAGLBSA-N -1 1 378.418 -0.896 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571136615 952614720 /nfs/dbraw/zinc/61/47/20/952614720.db2.gz SWPKXXGKGKQSOI-SNVBAGLBSA-N -1 1 378.418 -0.896 20 0 GBADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571136616 952615065 /nfs/dbraw/zinc/61/50/65/952615065.db2.gz SYKMIFGYRTXDEJ-PSASIEDQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571136616 952615061 /nfs/dbraw/zinc/61/50/61/952615061.db2.gz SYKMIFGYRTXDEJ-PSASIEDQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571136617 952614957 /nfs/dbraw/zinc/61/49/57/952614957.db2.gz SYKMIFGYRTXDEJ-SCZZXKLOSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571136617 952614955 /nfs/dbraw/zinc/61/49/55/952614955.db2.gz SYKMIFGYRTXDEJ-SCZZXKLOSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571136618 952615337 /nfs/dbraw/zinc/61/53/37/952615337.db2.gz SYKMIFGYRTXDEJ-WCBMZHEXSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571136618 952615333 /nfs/dbraw/zinc/61/53/33/952615333.db2.gz SYKMIFGYRTXDEJ-WCBMZHEXSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571136619 952615154 /nfs/dbraw/zinc/61/51/54/952615154.db2.gz SYKMIFGYRTXDEJ-WPRPVWTQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571136619 952615151 /nfs/dbraw/zinc/61/51/51/952615151.db2.gz SYKMIFGYRTXDEJ-WPRPVWTQSA-N -1 1 378.418 -0.897 20 0 GBADMM O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571136771 952616338 /nfs/dbraw/zinc/61/63/38/952616338.db2.gz VJELAIOEMLWVCO-UWVGGRQHSA-N -1 1 378.400 -0.028 20 0 GBADMM O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571136771 952616336 /nfs/dbraw/zinc/61/63/36/952616336.db2.gz VJELAIOEMLWVCO-UWVGGRQHSA-N -1 1 378.400 -0.028 20 0 GBADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571136774 952615733 /nfs/dbraw/zinc/61/57/33/952615733.db2.gz VJZVNTSEKNFRIX-HNNXBMFYSA-N -1 1 378.414 -0.780 20 0 GBADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571136774 952615729 /nfs/dbraw/zinc/61/57/29/952615729.db2.gz VJZVNTSEKNFRIX-HNNXBMFYSA-N -1 1 378.414 -0.780 20 0 GBADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001571136775 952616264 /nfs/dbraw/zinc/61/62/64/952616264.db2.gz VJZVNTSEKNFRIX-OAHLLOKOSA-N -1 1 378.414 -0.780 20 0 GBADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001571136775 952616261 /nfs/dbraw/zinc/61/62/61/952616261.db2.gz VJZVNTSEKNFRIX-OAHLLOKOSA-N -1 1 378.414 -0.780 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571136778 952616450 /nfs/dbraw/zinc/61/64/50/952616450.db2.gz VMWHDHLORPDYRL-JTQLQIEISA-N -1 1 378.418 -0.896 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571136778 952616448 /nfs/dbraw/zinc/61/64/48/952616448.db2.gz VMWHDHLORPDYRL-JTQLQIEISA-N -1 1 378.418 -0.896 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571136779 952615933 /nfs/dbraw/zinc/61/59/33/952615933.db2.gz VMWHDHLORPDYRL-SNVBAGLBSA-N -1 1 378.418 -0.896 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571136779 952615927 /nfs/dbraw/zinc/61/59/27/952615927.db2.gz VMWHDHLORPDYRL-SNVBAGLBSA-N -1 1 378.418 -0.896 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571136795 952616417 /nfs/dbraw/zinc/61/64/17/952616417.db2.gz WDCSNMMJIKVYAN-JTQLQIEISA-N -1 1 378.418 -0.977 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571136795 952616416 /nfs/dbraw/zinc/61/64/16/952616416.db2.gz WDCSNMMJIKVYAN-JTQLQIEISA-N -1 1 378.418 -0.977 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571136796 952616279 /nfs/dbraw/zinc/61/62/79/952616279.db2.gz WDCSNMMJIKVYAN-SNVBAGLBSA-N -1 1 378.418 -0.977 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571136796 952616276 /nfs/dbraw/zinc/61/62/76/952616276.db2.gz WDCSNMMJIKVYAN-SNVBAGLBSA-N -1 1 378.418 -0.977 20 0 GBADMM Cc1cc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)ncn1 ZINC001571136797 952616215 /nfs/dbraw/zinc/61/62/15/952616215.db2.gz WDLFCPFZQLZCPQ-TXEJJXNPSA-N -1 1 378.400 -0.036 20 0 GBADMM Cc1cc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)ncn1 ZINC001571136797 952616213 /nfs/dbraw/zinc/61/62/13/952616213.db2.gz WDLFCPFZQLZCPQ-TXEJJXNPSA-N -1 1 378.400 -0.036 20 0 GBADMM NC(=O)C1CC2(C1)C[C@@H](Nc1ncncc1-c1nn[n-]n1)CCS2(=O)=O ZINC001571137020 952618631 /nfs/dbraw/zinc/61/86/31/952618631.db2.gz ZRRFDICXHJOQHZ-PUUHTONNSA-N -1 1 378.418 -0.720 20 0 GBADMM NC(=O)C1CC2(C1)C[C@H](Nc1ncncc1-c1nn[n-]n1)CCS2(=O)=O ZINC001571137021 952617920 /nfs/dbraw/zinc/61/79/20/952617920.db2.gz ZRRFDICXHJOQHZ-ZYTOWTHASA-N -1 1 378.418 -0.720 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571139107 952619133 /nfs/dbraw/zinc/61/91/33/952619133.db2.gz CABIKUOBFXVYET-GFCCVEGCSA-N -1 1 379.384 -0.236 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571139107 952619127 /nfs/dbraw/zinc/61/91/27/952619127.db2.gz CABIKUOBFXVYET-GFCCVEGCSA-N -1 1 379.384 -0.236 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571139109 952619006 /nfs/dbraw/zinc/61/90/06/952619006.db2.gz CABIKUOBFXVYET-LBPRGKRZSA-N -1 1 379.384 -0.236 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571139109 952619002 /nfs/dbraw/zinc/61/90/02/952619002.db2.gz CABIKUOBFXVYET-LBPRGKRZSA-N -1 1 379.384 -0.236 20 0 GBADMM Cc1cc(=O)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001571139263 952619493 /nfs/dbraw/zinc/61/94/93/952619493.db2.gz DMLUAKVUJJLVPL-QWRGUYRKSA-N -1 1 379.384 -0.243 20 0 GBADMM Cc1cc(=O)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001571139263 952619490 /nfs/dbraw/zinc/61/94/90/952619490.db2.gz DMLUAKVUJJLVPL-QWRGUYRKSA-N -1 1 379.384 -0.243 20 0 GBADMM O=S(=O)(N[C@@H]1COC[C@@H]1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001571139356 952620341 /nfs/dbraw/zinc/62/03/41/952620341.db2.gz GOSAYGIOVHBMOZ-BDAKNGLRSA-N -1 1 379.320 -0.077 20 0 GBADMM COC(=O)C(C)(C)CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571139433 952620560 /nfs/dbraw/zinc/62/05/60/952620560.db2.gz HPIWQEQBUPXPJQ-UHFFFAOYSA-N -1 1 379.377 -0.775 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@H](CC(N)=O)C2)cc1-c1nn[n-]n1 ZINC001571139583 952621649 /nfs/dbraw/zinc/62/16/49/952621649.db2.gz JBQIEXLDIWKNCW-SSDOTTSWSA-N -1 1 379.402 -0.594 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H](CC(N)=O)C2)cc1-c1nn[n-]n1 ZINC001571139584 952621612 /nfs/dbraw/zinc/62/16/12/952621612.db2.gz JBQIEXLDIWKNCW-ZETCQYMHSA-N -1 1 379.402 -0.594 20 0 GBADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571139585 952621636 /nfs/dbraw/zinc/62/16/36/952621636.db2.gz JCRWROFGKHGENT-AWEZNQCLSA-N -1 1 379.402 -0.317 20 0 GBADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571139585 952621627 /nfs/dbraw/zinc/62/16/27/952621627.db2.gz JCRWROFGKHGENT-AWEZNQCLSA-N -1 1 379.402 -0.317 20 0 GBADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001571139586 952621339 /nfs/dbraw/zinc/62/13/39/952621339.db2.gz JCRWROFGKHGENT-CQSZACIVSA-N -1 1 379.402 -0.317 20 0 GBADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001571139586 952621338 /nfs/dbraw/zinc/62/13/38/952621338.db2.gz JCRWROFGKHGENT-CQSZACIVSA-N -1 1 379.402 -0.317 20 0 GBADMM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)ccc1=O ZINC001571139587 952621457 /nfs/dbraw/zinc/62/14/57/952621457.db2.gz JDKKARAAWQXMSM-RYUDHWBXSA-N -1 1 379.384 -0.541 20 0 GBADMM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)ccc1=O ZINC001571139587 952621454 /nfs/dbraw/zinc/62/14/54/952621454.db2.gz JDKKARAAWQXMSM-RYUDHWBXSA-N -1 1 379.384 -0.541 20 0 GBADMM Cn1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1=O ZINC001571139618 952621307 /nfs/dbraw/zinc/62/13/07/952621307.db2.gz JYWLDPXCYJYQMA-YABSGUDNSA-N -1 1 379.384 -0.780 20 0 GBADMM Cn1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1=O ZINC001571139618 952621305 /nfs/dbraw/zinc/62/13/05/952621305.db2.gz JYWLDPXCYJYQMA-YABSGUDNSA-N -1 1 379.384 -0.780 20 0 GBADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cc[nH]c(=O)c1 ZINC001571139635 952620930 /nfs/dbraw/zinc/62/09/30/952620930.db2.gz KENQCBJDWVAWKX-CNDDSTCGSA-N -1 1 379.384 -0.131 20 0 GBADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cc[nH]c(=O)c1 ZINC001571139635 952620926 /nfs/dbraw/zinc/62/09/26/952620926.db2.gz KENQCBJDWVAWKX-CNDDSTCGSA-N -1 1 379.384 -0.131 20 0 GBADMM Nc1nccnc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571139643 952621047 /nfs/dbraw/zinc/62/10/47/952621047.db2.gz KGQMTYYLCUUVAV-AOOOYVTPSA-N -1 1 379.388 -0.478 20 0 GBADMM Nc1nccnc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571139643 952621043 /nfs/dbraw/zinc/62/10/43/952621043.db2.gz KGQMTYYLCUUVAV-AOOOYVTPSA-N -1 1 379.388 -0.478 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571139659 952621262 /nfs/dbraw/zinc/62/12/62/952621262.db2.gz KJYALHNUFGVYOT-GFCCVEGCSA-N -1 1 379.384 -0.236 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571139659 952621258 /nfs/dbraw/zinc/62/12/58/952621258.db2.gz KJYALHNUFGVYOT-GFCCVEGCSA-N -1 1 379.384 -0.236 20 0 GBADMM COc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)ccn1 ZINC001571139678 952620966 /nfs/dbraw/zinc/62/09/66/952620966.db2.gz KNJAXXPJNKDFLO-HBYGRHMLSA-N -1 1 379.384 -0.075 20 0 GBADMM COc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)ccn1 ZINC001571139678 952620963 /nfs/dbraw/zinc/62/09/63/952620963.db2.gz KNJAXXPJNKDFLO-HBYGRHMLSA-N -1 1 379.384 -0.075 20 0 GBADMM Cn1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)c1=O ZINC001571139946 952622480 /nfs/dbraw/zinc/62/24/80/952622480.db2.gz LINUBVAHTDTNNB-QWRGUYRKSA-N -1 1 379.384 -0.541 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)ccc1=O ZINC001571140014 952622515 /nfs/dbraw/zinc/62/25/15/952622515.db2.gz NDRYWSPPMSVSBY-HBYGRHMLSA-N -1 1 379.384 -0.780 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)ccc1=O ZINC001571140014 952622507 /nfs/dbraw/zinc/62/25/07/952622507.db2.gz NDRYWSPPMSVSBY-HBYGRHMLSA-N -1 1 379.384 -0.780 20 0 GBADMM CC[C@@H](C)C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)OC ZINC001571140047 952623571 /nfs/dbraw/zinc/62/35/71/952623571.db2.gz NZONIWOBFLUWMA-PSASIEDQSA-N -1 1 379.377 -0.777 20 0 GBADMM CC[C@@H](C)C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)OC ZINC001571140050 952623546 /nfs/dbraw/zinc/62/35/46/952623546.db2.gz NZONIWOBFLUWMA-SCZZXKLOSA-N -1 1 379.377 -0.777 20 0 GBADMM CC[C@H](C)C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)OC ZINC001571140051 952623458 /nfs/dbraw/zinc/62/34/58/952623458.db2.gz NZONIWOBFLUWMA-WCBMZHEXSA-N -1 1 379.377 -0.777 20 0 GBADMM CC[C@H](C)C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)OC ZINC001571140052 952623617 /nfs/dbraw/zinc/62/36/17/952623617.db2.gz NZONIWOBFLUWMA-WPRPVWTQSA-N -1 1 379.377 -0.777 20 0 GBADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001571140297 952624241 /nfs/dbraw/zinc/62/42/41/952624241.db2.gz PQHAWOUOLGAYCV-CYBMUJFWSA-N -1 1 379.380 -0.019 20 0 GBADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001571140304 952624254 /nfs/dbraw/zinc/62/42/54/952624254.db2.gz PQHAWOUOLGAYCV-ZDUSSCGKSA-N -1 1 379.380 -0.019 20 0 GBADMM Nc1nccnc1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571140799 952628412 /nfs/dbraw/zinc/62/84/12/952628412.db2.gz UEZWAPGXOPLYPL-OWUUHHOZSA-N -1 1 379.388 -0.859 20 0 GBADMM Nc1nccnc1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571140799 952628410 /nfs/dbraw/zinc/62/84/10/952628410.db2.gz UEZWAPGXOPLYPL-OWUUHHOZSA-N -1 1 379.388 -0.859 20 0 GBADMM O=C(c1cc[nH]c(=O)c1)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571140814 952628598 /nfs/dbraw/zinc/62/85/98/952628598.db2.gz UFZCICLLXVPHCC-TXEJJXNPSA-N -1 1 379.384 -0.034 20 0 GBADMM O=C(c1cc[nH]c(=O)c1)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571140814 952628594 /nfs/dbraw/zinc/62/85/94/952628594.db2.gz UFZCICLLXVPHCC-TXEJJXNPSA-N -1 1 379.384 -0.034 20 0 GBADMM Nc1nccnc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571140858 952629534 /nfs/dbraw/zinc/62/95/34/952629534.db2.gz USNYYJSUHRUOKY-AOOOYVTPSA-N -1 1 379.388 -0.763 20 0 GBADMM Nc1nccnc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571140858 952629533 /nfs/dbraw/zinc/62/95/33/952629533.db2.gz USNYYJSUHRUOKY-AOOOYVTPSA-N -1 1 379.388 -0.763 20 0 GBADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)OC(C)(C)C ZINC001571140886 952629440 /nfs/dbraw/zinc/62/94/40/952629440.db2.gz VCZFGPXFUXPYQZ-MRVPVSSYSA-N -1 1 379.377 -0.635 20 0 GBADMM O=C(Cn1ccccc1=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571140900 952629827 /nfs/dbraw/zinc/62/98/27/952629827.db2.gz VENBNFNGONOKTM-RYUDHWBXSA-N -1 1 379.384 -0.692 20 0 GBADMM O=C(Cn1ccccc1=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571140900 952629826 /nfs/dbraw/zinc/62/98/26/952629826.db2.gz VENBNFNGONOKTM-RYUDHWBXSA-N -1 1 379.384 -0.692 20 0 GBADMM CCOC(=O)CN(CC(C)C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571141171 952630648 /nfs/dbraw/zinc/63/06/48/952630648.db2.gz VKBHAZRWUIKKPY-UHFFFAOYSA-N -1 1 379.377 -0.823 20 0 GBADMM NC(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571141189 952632028 /nfs/dbraw/zinc/63/20/28/952632028.db2.gz VPUYLQDOIDYGJJ-GFCCVEGCSA-N -1 1 379.384 -0.236 20 0 GBADMM NC(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571141191 952631364 /nfs/dbraw/zinc/63/13/64/952631364.db2.gz VPUYLQDOIDYGJJ-LBPRGKRZSA-N -1 1 379.384 -0.236 20 0 GBADMM Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cc1=O ZINC001571141196 952631429 /nfs/dbraw/zinc/63/14/29/952631429.db2.gz VSINBVNVRWQNSU-YABSGUDNSA-N -1 1 379.384 -0.780 20 0 GBADMM CC(C)Oc1ccc(S(=O)(=O)NCCn2cnc(-c3nn[n-]n3)n2)cn1 ZINC001571141635 952635045 /nfs/dbraw/zinc/63/50/45/952635045.db2.gz XXSAZYFMNDPLSF-UHFFFAOYSA-N -1 1 379.406 -0.381 20 0 GBADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@]12COC(=O)N1CCOC2 ZINC001571141655 952634837 /nfs/dbraw/zinc/63/48/37/952634837.db2.gz YFKAPWJODBZVMM-AWEZNQCLSA-N -1 1 379.402 -0.051 20 0 GBADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@]12COC(=O)N1CCOC2 ZINC001571141657 952634985 /nfs/dbraw/zinc/63/49/85/952634985.db2.gz YFKAPWJODBZVMM-CQSZACIVSA-N -1 1 379.402 -0.051 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(=O)[nH]c2)n1 ZINC001571141696 952635662 /nfs/dbraw/zinc/63/56/62/952635662.db2.gz ZGQIBZQECKZPLM-YABSGUDNSA-N -1 1 379.384 -0.070 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(=O)[nH]c2)n1 ZINC001571141696 952635655 /nfs/dbraw/zinc/63/56/55/952635655.db2.gz ZGQIBZQECKZPLM-YABSGUDNSA-N -1 1 379.384 -0.070 20 0 GBADMM Cc1nsc(N2CCN(C(=O)CN3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC001571142279 952639661 /nfs/dbraw/zinc/63/96/61/952639661.db2.gz OFSCSBLHLBCNTM-UHFFFAOYSA-N -1 1 378.462 -0.388 20 0 GBADMM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571142304 952639847 /nfs/dbraw/zinc/63/98/47/952639847.db2.gz OSDDWRCEZKOHFK-UHFFFAOYSA-N -1 1 378.461 -0.285 20 0 GBADMM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571142304 952639845 /nfs/dbraw/zinc/63/98/45/952639845.db2.gz OSDDWRCEZKOHFK-UHFFFAOYSA-N -1 1 378.461 -0.285 20 0 GBADMM CCC(O)(CC)C(C)(C)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571142649 952645376 /nfs/dbraw/zinc/64/53/76/952645376.db2.gz ZKQOHHNVTQPIAA-UHFFFAOYSA-N -1 1 379.421 -0.178 20 0 GBADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571150462 952668373 /nfs/dbraw/zinc/66/83/73/952668373.db2.gz BAJKSGUXUYAMMD-GMTAPVOTSA-N -1 1 379.446 -0.276 20 0 GBADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571150463 952668385 /nfs/dbraw/zinc/66/83/85/952668385.db2.gz BAJKSGUXUYAMMD-HBNTYKKESA-N -1 1 379.446 -0.276 20 0 GBADMM Cc1nsc(N2C[C@@H](NC(=O)c3cnns3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571151254 952673787 /nfs/dbraw/zinc/67/37/87/952673787.db2.gz NRKDUMNJACOPNP-RQJHMYQMSA-N -1 1 379.431 -0.537 20 0 GBADMM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571151433 952675576 /nfs/dbraw/zinc/67/55/76/952675576.db2.gz QDBIKMWYTJDYIL-JTQLQIEISA-N -1 1 379.446 -0.049 20 0 GBADMM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571151434 952675775 /nfs/dbraw/zinc/67/57/75/952675775.db2.gz QDBIKMWYTJDYIL-SNVBAGLBSA-N -1 1 379.446 -0.049 20 0 GBADMM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571151596 952675820 /nfs/dbraw/zinc/67/58/20/952675820.db2.gz RMYTWCNFDMECAJ-PELKAZGASA-N -1 1 379.446 -0.005 20 0 GBADMM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571151596 952675818 /nfs/dbraw/zinc/67/58/18/952675818.db2.gz RMYTWCNFDMECAJ-PELKAZGASA-N -1 1 379.446 -0.005 20 0 GBADMM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571151597 952675613 /nfs/dbraw/zinc/67/56/13/952675613.db2.gz RMYTWCNFDMECAJ-PRHODGIISA-N -1 1 379.446 -0.005 20 0 GBADMM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571151597 952675611 /nfs/dbraw/zinc/67/56/11/952675611.db2.gz RMYTWCNFDMECAJ-PRHODGIISA-N -1 1 379.446 -0.005 20 0 GBADMM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571151598 952675563 /nfs/dbraw/zinc/67/55/63/952675563.db2.gz RMYTWCNFDMECAJ-QPUJVOFHSA-N -1 1 379.446 -0.005 20 0 GBADMM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571151598 952675560 /nfs/dbraw/zinc/67/55/60/952675560.db2.gz RMYTWCNFDMECAJ-QPUJVOFHSA-N -1 1 379.446 -0.005 20 0 GBADMM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571151599 952675910 /nfs/dbraw/zinc/67/59/10/952675910.db2.gz RMYTWCNFDMECAJ-UFBFGSQYSA-N -1 1 379.446 -0.005 20 0 GBADMM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571151599 952675909 /nfs/dbraw/zinc/67/59/09/952675909.db2.gz RMYTWCNFDMECAJ-UFBFGSQYSA-N -1 1 379.446 -0.005 20 0 GBADMM CS(=O)(=O)N1CCC(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001571151755 952677863 /nfs/dbraw/zinc/67/78/63/952677863.db2.gz WLOHKNKERQONFG-UHFFFAOYSA-N -1 1 379.446 -0.060 20 0 GBADMM CS(=O)(=O)N1CCC(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001571151755 952677861 /nfs/dbraw/zinc/67/78/61/952677861.db2.gz WLOHKNKERQONFG-UHFFFAOYSA-N -1 1 379.446 -0.060 20 0 GBADMM NC(=O)c1cccc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571151941 952679999 /nfs/dbraw/zinc/67/99/99/952679999.db2.gz ABKWKOWPMSHWLN-UHFFFAOYSA-N -1 1 380.372 -0.887 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571151994 952680221 /nfs/dbraw/zinc/68/02/21/952680221.db2.gz AUBWWIMKNMUCDV-GXSJLCMTSA-N -1 1 380.372 -0.497 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571151994 952680217 /nfs/dbraw/zinc/68/02/17/952680217.db2.gz AUBWWIMKNMUCDV-GXSJLCMTSA-N -1 1 380.372 -0.497 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571152011 952680313 /nfs/dbraw/zinc/68/03/13/952680313.db2.gz BEGRFFWULKIPIX-SNVBAGLBSA-N -1 1 380.372 -0.841 20 0 GBADMM O=C(c1cnc[nH]c1=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571152188 952681287 /nfs/dbraw/zinc/68/12/87/952681287.db2.gz CYJBJFUJDGXSBP-AOOOYVTPSA-N -1 1 380.372 -0.639 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001571152209 952682454 /nfs/dbraw/zinc/68/24/54/952682454.db2.gz DTDOGARCKODNSZ-FBIMIBRVSA-N -1 1 380.359 -0.242 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001571152209 952682450 /nfs/dbraw/zinc/68/24/50/952682450.db2.gz DTDOGARCKODNSZ-FBIMIBRVSA-N -1 1 380.359 -0.242 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)[C@H]1CCC(F)(F)C1 ZINC001571152210 952682286 /nfs/dbraw/zinc/68/22/86/952682286.db2.gz DTDOGARCKODNSZ-GDPRMGEGSA-N -1 1 380.359 -0.242 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)[C@H]1CCC(F)(F)C1 ZINC001571152210 952682285 /nfs/dbraw/zinc/68/22/85/952682285.db2.gz DTDOGARCKODNSZ-GDPRMGEGSA-N -1 1 380.359 -0.242 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001571152211 952681922 /nfs/dbraw/zinc/68/19/22/952681922.db2.gz DTDOGARCKODNSZ-IEBDPFPHSA-N -1 1 380.359 -0.242 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001571152211 952681917 /nfs/dbraw/zinc/68/19/17/952681917.db2.gz DTDOGARCKODNSZ-IEBDPFPHSA-N -1 1 380.359 -0.242 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)[C@H]1CCC(F)(F)C1 ZINC001571152212 952682392 /nfs/dbraw/zinc/68/23/92/952682392.db2.gz DTDOGARCKODNSZ-JMJZKYOTSA-N -1 1 380.359 -0.242 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)[C@H]1CCC(F)(F)C1 ZINC001571152212 952682389 /nfs/dbraw/zinc/68/23/89/952682389.db2.gz DTDOGARCKODNSZ-JMJZKYOTSA-N -1 1 380.359 -0.242 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cc2n(n1)CCO2 ZINC001571152219 952681968 /nfs/dbraw/zinc/68/19/68/952681968.db2.gz DZZWSCJDXUSERT-QRJZZWFUSA-N -1 1 380.372 -0.890 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cc2n(n1)CCO2 ZINC001571152219 952681963 /nfs/dbraw/zinc/68/19/63/952681963.db2.gz DZZWSCJDXUSERT-QRJZZWFUSA-N -1 1 380.372 -0.890 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571152225 952682153 /nfs/dbraw/zinc/68/21/53/952682153.db2.gz FBEYINWTDBMZSL-JTQLQIEISA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571152225 952682150 /nfs/dbraw/zinc/68/21/50/952682150.db2.gz FBEYINWTDBMZSL-JTQLQIEISA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571152226 952682199 /nfs/dbraw/zinc/68/21/99/952682199.db2.gz FBEYINWTDBMZSL-SNVBAGLBSA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571152226 952682196 /nfs/dbraw/zinc/68/21/96/952682196.db2.gz FBEYINWTDBMZSL-SNVBAGLBSA-N -1 1 380.372 -0.841 20 0 GBADMM COc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571152227 952682368 /nfs/dbraw/zinc/68/23/68/952682368.db2.gz FFANZGYJTTWKQE-UWVGGRQHSA-N -1 1 380.372 -0.441 20 0 GBADMM COc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571152227 952682364 /nfs/dbraw/zinc/68/23/64/952682364.db2.gz FFANZGYJTTWKQE-UWVGGRQHSA-N -1 1 380.372 -0.441 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571152230 952681861 /nfs/dbraw/zinc/68/18/61/952681861.db2.gz FFOMODRGSILXDA-UHFFFAOYSA-N -1 1 380.372 -0.887 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571152230 952681856 /nfs/dbraw/zinc/68/18/56/952681856.db2.gz FFOMODRGSILXDA-UHFFFAOYSA-N -1 1 380.372 -0.887 20 0 GBADMM NC(=O)c1ccnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571152233 952682109 /nfs/dbraw/zinc/68/21/09/952682109.db2.gz FJPBJXCTAUFSKM-JTQLQIEISA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ccnc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571152234 952682321 /nfs/dbraw/zinc/68/23/21/952682321.db2.gz FJPBJXCTAUFSKM-SNVBAGLBSA-N -1 1 380.372 -0.841 20 0 GBADMM O=C(CC1CC(F)(F)C1)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571152270 952682311 /nfs/dbraw/zinc/68/23/11/952682311.db2.gz GORLOZSUHSWTFW-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM COc1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571152271 952681954 /nfs/dbraw/zinc/68/19/54/952681954.db2.gz GPFPUPFTZVCIRI-QWRGUYRKSA-N -1 1 380.372 -0.441 20 0 GBADMM COc1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571152271 952681949 /nfs/dbraw/zinc/68/19/49/952681949.db2.gz GPFPUPFTZVCIRI-QWRGUYRKSA-N -1 1 380.372 -0.441 20 0 GBADMM NC(=O)c1ccnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571152273 952682063 /nfs/dbraw/zinc/68/20/63/952682063.db2.gz GRBNWXIZTHCXLZ-SNVBAGLBSA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ccnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571152273 952682061 /nfs/dbraw/zinc/68/20/61/952682061.db2.gz GRBNWXIZTHCXLZ-SNVBAGLBSA-N -1 1 380.372 -0.841 20 0 GBADMM O=C(c1cnc[nH]c1=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571152277 952682327 /nfs/dbraw/zinc/68/23/27/952682327.db2.gz GTJMSJMFLCWUME-JOYOIKCWSA-N -1 1 380.372 -0.497 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)nn1 ZINC001571152584 952682925 /nfs/dbraw/zinc/68/29/25/952682925.db2.gz GXIFQCQYPKKJOR-QRJZZWFUSA-N -1 1 380.372 -0.680 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)nn1 ZINC001571152584 952682923 /nfs/dbraw/zinc/68/29/23/952682923.db2.gz GXIFQCQYPKKJOR-QRJZZWFUSA-N -1 1 380.372 -0.680 20 0 GBADMM NC(=O)c1ncccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571152633 952682931 /nfs/dbraw/zinc/68/29/31/952682931.db2.gz IJGGJZJRJHPJCV-SECBINFHSA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ncccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571152633 952682929 /nfs/dbraw/zinc/68/29/29/952682929.db2.gz IJGGJZJRJHPJCV-SECBINFHSA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ncccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571152634 952683013 /nfs/dbraw/zinc/68/30/13/952683013.db2.gz IJGGJZJRJHPJCV-VIFPVBQESA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ncccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571152634 952683010 /nfs/dbraw/zinc/68/30/10/952683010.db2.gz IJGGJZJRJHPJCV-VIFPVBQESA-N -1 1 380.372 -0.841 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCN(CCCF)CC1 ZINC001571152642 952683454 /nfs/dbraw/zinc/68/34/54/952683454.db2.gz IWPULEAMRHYXMX-UHFFFAOYSA-N -1 1 380.384 -0.977 20 0 GBADMM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001571152646 952683207 /nfs/dbraw/zinc/68/32/07/952683207.db2.gz IZMFTUXRNQWTPZ-IUCAKERBSA-N -1 1 380.372 -0.813 20 0 GBADMM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571152646 952683204 /nfs/dbraw/zinc/68/32/04/952683204.db2.gz IZMFTUXRNQWTPZ-IUCAKERBSA-N -1 1 380.372 -0.813 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571152648 952683301 /nfs/dbraw/zinc/68/33/01/952683301.db2.gz JAPLSSPWDMNVGE-JTQLQIEISA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571152648 952683300 /nfs/dbraw/zinc/68/33/00/952683300.db2.gz JAPLSSPWDMNVGE-JTQLQIEISA-N -1 1 380.372 -0.841 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1CCC(F)CC1 ZINC001571152666 952682853 /nfs/dbraw/zinc/68/28/53/952682853.db2.gz JOZXBVYVCGHLDT-UHFFFAOYSA-N -1 1 380.384 -0.044 20 0 GBADMM O=C(c1ccc(=O)[nH]n1)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571152886 952684302 /nfs/dbraw/zinc/68/43/02/952684302.db2.gz KFXDRLKZZVDNBE-JOYOIKCWSA-N -1 1 380.372 -0.497 20 0 GBADMM O=C(c1ccc(=O)[nH]n1)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571152886 952684299 /nfs/dbraw/zinc/68/42/99/952684299.db2.gz KFXDRLKZZVDNBE-JOYOIKCWSA-N -1 1 380.372 -0.497 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571152919 952684011 /nfs/dbraw/zinc/68/40/11/952684011.db2.gz LAXSYBKQEWOUGB-JTQLQIEISA-N -1 1 380.372 -0.523 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571152919 952684008 /nfs/dbraw/zinc/68/40/08/952684008.db2.gz LAXSYBKQEWOUGB-JTQLQIEISA-N -1 1 380.372 -0.523 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571152920 952684226 /nfs/dbraw/zinc/68/42/26/952684226.db2.gz LAXSYBKQEWOUGB-SNVBAGLBSA-N -1 1 380.372 -0.523 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571152920 952684222 /nfs/dbraw/zinc/68/42/22/952684222.db2.gz LAXSYBKQEWOUGB-SNVBAGLBSA-N -1 1 380.372 -0.523 20 0 GBADMM CCn1ncc(Cl)c1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571152929 952684087 /nfs/dbraw/zinc/68/40/87/952684087.db2.gz LNDHDHNEPKJZPB-UHFFFAOYSA-N -1 1 379.768 -0.571 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571152935 952684206 /nfs/dbraw/zinc/68/42/06/952684206.db2.gz LPTZHPIEWRVNPN-UWVGGRQHSA-N -1 1 380.372 -0.436 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571152935 952684205 /nfs/dbraw/zinc/68/42/05/952684205.db2.gz LPTZHPIEWRVNPN-UWVGGRQHSA-N -1 1 380.372 -0.436 20 0 GBADMM NC(=O)c1ncccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571152941 952684219 /nfs/dbraw/zinc/68/42/19/952684219.db2.gz LTNYPPWBIAONEN-SECBINFHSA-N -1 1 380.372 -0.523 20 0 GBADMM NC(=O)c1ncccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571152941 952684215 /nfs/dbraw/zinc/68/42/15/952684215.db2.gz LTNYPPWBIAONEN-SECBINFHSA-N -1 1 380.372 -0.523 20 0 GBADMM NC(=O)c1ncccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571152942 952684042 /nfs/dbraw/zinc/68/40/42/952684042.db2.gz LTNYPPWBIAONEN-VIFPVBQESA-N -1 1 380.372 -0.523 20 0 GBADMM NC(=O)c1ncccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571152942 952684039 /nfs/dbraw/zinc/68/40/39/952684039.db2.gz LTNYPPWBIAONEN-VIFPVBQESA-N -1 1 380.372 -0.523 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571153282 952684762 /nfs/dbraw/zinc/68/47/62/952684762.db2.gz MYSHACWIKQTSNB-PHIMTYICSA-N -1 1 380.372 -0.639 20 0 GBADMM CCc1[nH]nc(Cl)c1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571153284 952684720 /nfs/dbraw/zinc/68/47/20/952684720.db2.gz NBDXRVAPAGALFT-UHFFFAOYSA-N -1 1 379.768 -0.502 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571153292 952685296 /nfs/dbraw/zinc/68/52/96/952685296.db2.gz NKFHDKDPUDUZSE-WOFXILAISA-N -1 1 380.372 -0.675 20 0 GBADMM Cn1c(Cl)cnc1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571153299 952685076 /nfs/dbraw/zinc/68/50/76/952685076.db2.gz NSOCDGNAZFCWOV-UHFFFAOYSA-N -1 1 379.768 -0.778 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)[C@H]1C[C@@H]1C(F)F ZINC001571153301 952684800 /nfs/dbraw/zinc/68/48/00/952684800.db2.gz NSWGYXIAPPIMFZ-GUBZILKMSA-N -1 1 380.359 -0.121 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)[C@H]1C[C@@H]1C(F)F ZINC001571153301 952684797 /nfs/dbraw/zinc/68/47/97/952684797.db2.gz NSWGYXIAPPIMFZ-GUBZILKMSA-N -1 1 380.359 -0.121 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)[C@H]1C[C@@H]1C(F)F ZINC001571153303 952685270 /nfs/dbraw/zinc/68/52/70/952685270.db2.gz NSWGYXIAPPIMFZ-UTLUCORTSA-N -1 1 380.359 -0.121 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)[C@H]1C[C@@H]1C(F)F ZINC001571153303 952685268 /nfs/dbraw/zinc/68/52/68/952685268.db2.gz NSWGYXIAPPIMFZ-UTLUCORTSA-N -1 1 380.359 -0.121 20 0 GBADMM NC(=O)c1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571153546 952686474 /nfs/dbraw/zinc/68/64/74/952686474.db2.gz QNCNCKNLBVTWGV-VIFPVBQESA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571153546 952686472 /nfs/dbraw/zinc/68/64/72/952686472.db2.gz QNCNCKNLBVTWGV-VIFPVBQESA-N -1 1 380.372 -0.841 20 0 GBADMM O=C(c1ccc(=O)[nH]n1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571153585 952685886 /nfs/dbraw/zinc/68/58/86/952685886.db2.gz RFJKQWBBFURTSN-AOOOYVTPSA-N -1 1 380.372 -0.354 20 0 GBADMM O=C(c1ccc(=O)[nH]n1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571153585 952685880 /nfs/dbraw/zinc/68/58/80/952685880.db2.gz RFJKQWBBFURTSN-AOOOYVTPSA-N -1 1 380.372 -0.354 20 0 GBADMM COc1nccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571153586 952686231 /nfs/dbraw/zinc/68/62/31/952686231.db2.gz RFZRTWXVQFJERD-UWVGGRQHSA-N -1 1 380.372 -0.441 20 0 GBADMM COc1nccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571153586 952686229 /nfs/dbraw/zinc/68/62/29/952686229.db2.gz RFZRTWXVQFJERD-UWVGGRQHSA-N -1 1 380.372 -0.441 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571153597 952687292 /nfs/dbraw/zinc/68/72/92/952687292.db2.gz RNPFJQYVPYCJOA-PHIMTYICSA-N -1 1 380.372 -0.354 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571153597 952687288 /nfs/dbraw/zinc/68/72/88/952687288.db2.gz RNPFJQYVPYCJOA-PHIMTYICSA-N -1 1 380.372 -0.354 20 0 GBADMM COc1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)nc1 ZINC001571153609 952687438 /nfs/dbraw/zinc/68/74/38/952687438.db2.gz RXMNRDGKXSYGOY-IWIIMEHWSA-N -1 1 380.372 -0.680 20 0 GBADMM COc1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)nc1 ZINC001571153609 952687434 /nfs/dbraw/zinc/68/74/34/952687434.db2.gz RXMNRDGKXSYGOY-IWIIMEHWSA-N -1 1 380.372 -0.680 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571153639 952687453 /nfs/dbraw/zinc/68/74/53/952687453.db2.gz SJBPULLYTREWIA-JTQLQIEISA-N -1 1 380.372 -0.841 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001571153639 952687448 /nfs/dbraw/zinc/68/74/48/952687448.db2.gz SJBPULLYTREWIA-JTQLQIEISA-N -1 1 380.372 -0.841 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21)c1ncccc1[O-] ZINC001571153647 952687809 /nfs/dbraw/zinc/68/78/09/952687809.db2.gz SPOXPEOQMWZEAB-IWIIMEHWSA-N -1 1 380.368 -0.204 20 0 GBADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ccc(=O)[nH]n1 ZINC001571153669 952687102 /nfs/dbraw/zinc/68/71/02/952687102.db2.gz TYCAKMLSPKVLQI-MIMYLULJSA-N -1 1 380.372 -0.308 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571153676 952687412 /nfs/dbraw/zinc/68/74/12/952687412.db2.gz UFZUBZXKOBKJRH-JTQLQIEISA-N -1 1 380.372 -0.523 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571153676 952687404 /nfs/dbraw/zinc/68/74/04/952687404.db2.gz UFZUBZXKOBKJRH-JTQLQIEISA-N -1 1 380.372 -0.523 20 0 GBADMM O=C(NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1C(F)F ZINC001571153900 952686991 /nfs/dbraw/zinc/68/69/91/952686991.db2.gz UYOWHMJEOMVBIQ-GUBZILKMSA-N -1 1 380.359 -0.121 20 0 GBADMM O=C(NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1C[C@@H]1C(F)F ZINC001571153900 952686987 /nfs/dbraw/zinc/68/69/87/952686987.db2.gz UYOWHMJEOMVBIQ-GUBZILKMSA-N -1 1 380.359 -0.121 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1C(F)F ZINC001571153901 952688142 /nfs/dbraw/zinc/68/81/42/952688142.db2.gz UYOWHMJEOMVBIQ-UTLUCORTSA-N -1 1 380.359 -0.121 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1C[C@@H]1C(F)F ZINC001571153901 952688138 /nfs/dbraw/zinc/68/81/38/952688138.db2.gz UYOWHMJEOMVBIQ-UTLUCORTSA-N -1 1 380.359 -0.121 20 0 GBADMM Cn1cc(Cl)c(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001571153906 952688407 /nfs/dbraw/zinc/68/84/07/952688407.db2.gz VCSDCFKPDCQYIA-UHFFFAOYSA-N -1 1 379.768 -0.778 20 0 GBADMM COc1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001571153922 952688691 /nfs/dbraw/zinc/68/86/91/952688691.db2.gz VORHEPFZBSMUMJ-UWVGGRQHSA-N -1 1 380.372 -0.441 20 0 GBADMM COc1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001571153922 952688687 /nfs/dbraw/zinc/68/86/87/952688687.db2.gz VORHEPFZBSMUMJ-UWVGGRQHSA-N -1 1 380.372 -0.441 20 0 GBADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1cn[nH]c(=O)c1 ZINC001571153925 952688235 /nfs/dbraw/zinc/68/82/35/952688235.db2.gz VSJDUTZKLNBGEM-SCVCMEIPSA-N -1 1 380.372 -0.308 20 0 GBADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1cn[nH]c(=O)c1 ZINC001571153925 952688232 /nfs/dbraw/zinc/68/82/32/952688232.db2.gz VSJDUTZKLNBGEM-SCVCMEIPSA-N -1 1 380.372 -0.308 20 0 GBADMM COc1cncc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)n1 ZINC001571153933 952688657 /nfs/dbraw/zinc/68/86/57/952688657.db2.gz WGZCCUSDMBVKQW-QRJZZWFUSA-N -1 1 380.372 -0.680 20 0 GBADMM COc1cncc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)n1 ZINC001571153933 952688652 /nfs/dbraw/zinc/68/86/52/952688652.db2.gz WGZCCUSDMBVKQW-QRJZZWFUSA-N -1 1 380.372 -0.680 20 0 GBADMM NC(=O)c1ncccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571154100 952689192 /nfs/dbraw/zinc/68/91/92/952689192.db2.gz YCCDSGBKPSLXRJ-UHFFFAOYSA-N -1 1 380.372 -0.887 20 0 GBADMM NC(=O)c1ncccc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571154100 952689189 /nfs/dbraw/zinc/68/91/89/952689189.db2.gz YCCDSGBKPSLXRJ-UHFFFAOYSA-N -1 1 380.372 -0.887 20 0 GBADMM O=C(C1CC(F)(F)C1)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571154126 952689645 /nfs/dbraw/zinc/68/96/45/952689645.db2.gz YSMPGFYHVYTSNH-JTQLQIEISA-N -1 1 380.359 -0.237 20 0 GBADMM O=C(C1CC(F)(F)C1)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571154129 952689677 /nfs/dbraw/zinc/68/96/77/952689677.db2.gz YSMPGFYHVYTSNH-SNVBAGLBSA-N -1 1 380.359 -0.237 20 0 GBADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccc(=O)[nH]n1 ZINC001571154171 952689202 /nfs/dbraw/zinc/68/92/02/952689202.db2.gz ZARTXKLKVLMZGK-QRTLGDNMSA-N -1 1 380.372 -0.308 20 0 GBADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ccc(=O)[nH]n1 ZINC001571154171 952689199 /nfs/dbraw/zinc/68/91/99/952689199.db2.gz ZARTXKLKVLMZGK-QRTLGDNMSA-N -1 1 380.372 -0.308 20 0 GBADMM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001571154210 952689242 /nfs/dbraw/zinc/68/92/42/952689242.db2.gz ZWAIIWLHLUYVKO-HZGVNTEJSA-N -1 1 380.386 -0.562 20 0 GBADMM CC(C)[C@H](O)Cn1c(=O)c(-c2nn[n-]n2)cn(CC(=O)OC(C)(C)C)c1=O ZINC001571155321 952695453 /nfs/dbraw/zinc/69/54/53/952695453.db2.gz NRZUPXSLWBFCBS-LLVKDONJSA-N -1 1 380.405 -0.451 20 0 GBADMM CC(C)[C@@H](O)Cn1c(=O)c(-c2nn[n-]n2)cn(CC(=O)OC(C)(C)C)c1=O ZINC001571155322 952695911 /nfs/dbraw/zinc/69/59/11/952695911.db2.gz NRZUPXSLWBFCBS-NSHDSACASA-N -1 1 380.405 -0.451 20 0 GBADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@@]12COC(=O)N1CCOC2 ZINC001571155528 952698099 /nfs/dbraw/zinc/69/80/99/952698099.db2.gz VNYQSLKRUUJPOY-CYBMUJFWSA-N -1 1 380.390 -0.656 20 0 GBADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@@]12COC(=O)N1CCOC2 ZINC001571155528 952698097 /nfs/dbraw/zinc/69/80/97/952698097.db2.gz VNYQSLKRUUJPOY-CYBMUJFWSA-N -1 1 380.390 -0.656 20 0 GBADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@]12COC(=O)N1CCOC2 ZINC001571155529 952697637 /nfs/dbraw/zinc/69/76/37/952697637.db2.gz VNYQSLKRUUJPOY-ZDUSSCGKSA-N -1 1 380.390 -0.656 20 0 GBADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@]12COC(=O)N1CCOC2 ZINC001571155529 952697634 /nfs/dbraw/zinc/69/76/34/952697634.db2.gz VNYQSLKRUUJPOY-ZDUSSCGKSA-N -1 1 380.390 -0.656 20 0 GBADMM COCC(C)(C)CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571155721 952698990 /nfs/dbraw/zinc/69/89/90/952698990.db2.gz YLQLVNFZHWPSAI-UHFFFAOYSA-N -1 1 380.409 -0.509 20 0 GBADMM CN(Cc1ccccc1)C(=O)CNC(=O)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001571155770 952700127 /nfs/dbraw/zinc/70/01/27/952700127.db2.gz ZPPJHYRJJIYVRN-UHFFFAOYSA-N -1 1 380.412 -0.130 20 0 GBADMM CN(Cc1ccccc1)C(=O)CNC(=O)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001571155770 952700124 /nfs/dbraw/zinc/70/01/24/952700124.db2.gz ZPPJHYRJJIYVRN-UHFFFAOYSA-N -1 1 380.412 -0.130 20 0 GBADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)cc1 ZINC001571157899 952708067 /nfs/dbraw/zinc/70/80/67/952708067.db2.gz BYZZOTRWNYFQFS-CABCVRRESA-N -1 1 380.412 -0.126 20 0 GBADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)cc1 ZINC001571157899 952708062 /nfs/dbraw/zinc/70/80/62/952708062.db2.gz BYZZOTRWNYFQFS-CABCVRRESA-N -1 1 380.412 -0.126 20 0 GBADMM Cc1cccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)c1 ZINC001571158206 952709824 /nfs/dbraw/zinc/70/98/24/952709824.db2.gz DTRLMZCBQXFNMR-HUUCEWRRSA-N -1 1 380.412 -0.126 20 0 GBADMM Cc1cccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)c1 ZINC001571158206 952709817 /nfs/dbraw/zinc/70/98/17/952709817.db2.gz DTRLMZCBQXFNMR-HUUCEWRRSA-N -1 1 380.412 -0.126 20 0 GBADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)cc1 ZINC001571158688 952713300 /nfs/dbraw/zinc/71/33/00/952713300.db2.gz MLADCBDOODBTSL-ZIAGYGMSSA-N -1 1 380.412 -0.126 20 0 GBADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)cc1 ZINC001571158688 952713294 /nfs/dbraw/zinc/71/32/94/952713294.db2.gz MLADCBDOODBTSL-ZIAGYGMSSA-N -1 1 380.412 -0.126 20 0 GBADMM O=C(Cc1ccccc1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571161425 952733385 /nfs/dbraw/zinc/73/33/85/952733385.db2.gz VLWSFFQSIJOCRK-DZGCQCFKSA-N -1 1 380.412 -0.045 20 0 GBADMM O=C(Cc1ccccc1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571161425 952733379 /nfs/dbraw/zinc/73/33/79/952733379.db2.gz VLWSFFQSIJOCRK-DZGCQCFKSA-N -1 1 380.412 -0.045 20 0 GBADMM O=C(Cc1ccccc1)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571161426 952733167 /nfs/dbraw/zinc/73/31/67/952733167.db2.gz VLWSFFQSIJOCRK-HIFRSBDPSA-N -1 1 380.412 -0.045 20 0 GBADMM O=C(Cc1ccccc1)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571161426 952733164 /nfs/dbraw/zinc/73/31/64/952733164.db2.gz VLWSFFQSIJOCRK-HIFRSBDPSA-N -1 1 380.412 -0.045 20 0 GBADMM O=C(Cc1ccccc1)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571161427 952732738 /nfs/dbraw/zinc/73/27/38/952732738.db2.gz VLWSFFQSIJOCRK-UKRRQHHQSA-N -1 1 380.412 -0.045 20 0 GBADMM O=C(Cc1ccccc1)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571161427 952732734 /nfs/dbraw/zinc/73/27/34/952732734.db2.gz VLWSFFQSIJOCRK-UKRRQHHQSA-N -1 1 380.412 -0.045 20 0 GBADMM O=C(Cc1ccccc1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571161428 952733094 /nfs/dbraw/zinc/73/30/94/952733094.db2.gz VLWSFFQSIJOCRK-ZFWWWQNUSA-N -1 1 380.412 -0.045 20 0 GBADMM O=C(Cc1ccccc1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571161428 952733093 /nfs/dbraw/zinc/73/30/93/952733093.db2.gz VLWSFFQSIJOCRK-ZFWWWQNUSA-N -1 1 380.412 -0.045 20 0 GBADMM CCc1c[nH]c(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571161825 952735406 /nfs/dbraw/zinc/73/54/06/952735406.db2.gz BHYHNBUZMMNJHB-RYUDHWBXSA-N -1 1 380.416 -0.026 20 0 GBADMM CCc1c[nH]c(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571161825 952735404 /nfs/dbraw/zinc/73/54/04/952735404.db2.gz BHYHNBUZMMNJHB-RYUDHWBXSA-N -1 1 380.416 -0.026 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)cnn1C ZINC001571161829 952735567 /nfs/dbraw/zinc/73/55/67/952735567.db2.gz BJNLLKHQDSPGRQ-XYYAHUGASA-N -1 1 380.416 -0.189 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)cnn1C ZINC001571161829 952735563 /nfs/dbraw/zinc/73/55/63/952735563.db2.gz BJNLLKHQDSPGRQ-XYYAHUGASA-N -1 1 380.416 -0.189 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccncc1 ZINC001571161840 952735313 /nfs/dbraw/zinc/73/53/13/952735313.db2.gz BYPBDGNFCUCWOK-GFCCVEGCSA-N -1 1 380.416 -0.377 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccncc1 ZINC001571161840 952735311 /nfs/dbraw/zinc/73/53/11/952735311.db2.gz BYPBDGNFCUCWOK-GFCCVEGCSA-N -1 1 380.416 -0.377 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccncc1 ZINC001571161841 952735731 /nfs/dbraw/zinc/73/57/31/952735731.db2.gz BYPBDGNFCUCWOK-LBPRGKRZSA-N -1 1 380.416 -0.377 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccncc1 ZINC001571161841 952735729 /nfs/dbraw/zinc/73/57/29/952735729.db2.gz BYPBDGNFCUCWOK-LBPRGKRZSA-N -1 1 380.416 -0.377 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001571161854 952735472 /nfs/dbraw/zinc/73/54/72/952735472.db2.gz CHIHXRJHBSTNPO-GHMZBOCLSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001571161855 952735750 /nfs/dbraw/zinc/73/57/50/952735750.db2.gz CHIHXRJHBSTNPO-MNOVXSKESA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001571161856 952735172 /nfs/dbraw/zinc/73/51/72/952735172.db2.gz CHIHXRJHBSTNPO-QWRGUYRKSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001571161857 952735737 /nfs/dbraw/zinc/73/57/37/952735737.db2.gz CHIHXRJHBSTNPO-WDEREUQCSA-N -1 1 380.416 -0.064 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)n(C)n1 ZINC001571161898 952736350 /nfs/dbraw/zinc/73/63/50/952736350.db2.gz DPXSDAIIUFOGER-CNDDSTCGSA-N -1 1 380.416 -0.189 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)n(C)n1 ZINC001571161898 952736345 /nfs/dbraw/zinc/73/63/45/952736345.db2.gz DPXSDAIIUFOGER-CNDDSTCGSA-N -1 1 380.416 -0.189 20 0 GBADMM CCn1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571162006 952737745 /nfs/dbraw/zinc/73/77/45/952737745.db2.gz HHYFPFKVXAHNRT-STQMWFEESA-N -1 1 380.416 -0.095 20 0 GBADMM CCn1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571162006 952737743 /nfs/dbraw/zinc/73/77/43/952737743.db2.gz HHYFPFKVXAHNRT-STQMWFEESA-N -1 1 380.416 -0.095 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)Cn4cccn4)[C@@H]3C2)n1 ZINC001571162027 952737179 /nfs/dbraw/zinc/73/71/79/952737179.db2.gz IBQDNPCPZHIPQR-GXTWGEPZSA-N -1 1 380.416 -0.101 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)Cn4cccn4)[C@@H]3C2)n1 ZINC001571162027 952737174 /nfs/dbraw/zinc/73/71/74/952737174.db2.gz IBQDNPCPZHIPQR-GXTWGEPZSA-N -1 1 380.416 -0.101 20 0 GBADMM CCn1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001571162042 952738160 /nfs/dbraw/zinc/73/81/60/952738160.db2.gz ISNFOIBHNDJLOM-CNDDSTCGSA-N -1 1 380.416 -0.015 20 0 GBADMM CCc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571162206 952740834 /nfs/dbraw/zinc/74/08/34/952740834.db2.gz NUPPZLCXQDQWAM-RTUWITSCSA-N -1 1 380.416 -0.183 20 0 GBADMM CCc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571162206 952740830 /nfs/dbraw/zinc/74/08/30/952740830.db2.gz NUPPZLCXQDQWAM-RTUWITSCSA-N -1 1 380.416 -0.183 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)n(C)n1 ZINC001571162212 952740529 /nfs/dbraw/zinc/74/05/29/952740529.db2.gz NXBBQVJLTUAWHJ-HBYGRHMLSA-N -1 1 380.416 -0.183 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)n(C)n1 ZINC001571162212 952740525 /nfs/dbraw/zinc/74/05/25/952740525.db2.gz NXBBQVJLTUAWHJ-HBYGRHMLSA-N -1 1 380.416 -0.183 20 0 GBADMM Cc1nc[nH]c1CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571162258 952741114 /nfs/dbraw/zinc/74/11/14/952741114.db2.gz OWQGDCLYPSTDKZ-TXEJJXNPSA-N -1 1 380.416 -0.174 20 0 GBADMM Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)n(C)n1 ZINC001571162279 952741744 /nfs/dbraw/zinc/74/17/44/952741744.db2.gz PLJXLUOSUJRCDZ-TXEJJXNPSA-N -1 1 380.416 -0.093 20 0 GBADMM Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)n(C)n1 ZINC001571162279 952741743 /nfs/dbraw/zinc/74/17/43/952741743.db2.gz PLJXLUOSUJRCDZ-TXEJJXNPSA-N -1 1 380.416 -0.093 20 0 GBADMM C[C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571162304 952741829 /nfs/dbraw/zinc/74/18/29/952741829.db2.gz PXWLRDOJXBVBPS-NEPJUHHUSA-N -1 1 380.416 -0.240 20 0 GBADMM C[C@H]1CN(C(=O)CCc2ncccn2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571162305 952741903 /nfs/dbraw/zinc/74/19/03/952741903.db2.gz PXWLRDOJXBVBPS-NWDGAFQWSA-N -1 1 380.416 -0.240 20 0 GBADMM C[C@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571162306 952742190 /nfs/dbraw/zinc/74/21/90/952742190.db2.gz PXWLRDOJXBVBPS-RYUDHWBXSA-N -1 1 380.416 -0.240 20 0 GBADMM C[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571162307 952741677 /nfs/dbraw/zinc/74/16/77/952741677.db2.gz PXWLRDOJXBVBPS-VXGBXAGGSA-N -1 1 380.416 -0.240 20 0 GBADMM Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571162335 952742247 /nfs/dbraw/zinc/74/22/47/952742247.db2.gz QOSPASAGEWDMSS-IMRBUKKESA-N -1 1 380.416 -0.128 20 0 GBADMM Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571162335 952742241 /nfs/dbraw/zinc/74/22/41/952742241.db2.gz QOSPASAGEWDMSS-IMRBUKKESA-N -1 1 380.416 -0.128 20 0 GBADMM CCn1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cn1 ZINC001571162343 952741755 /nfs/dbraw/zinc/74/17/55/952741755.db2.gz QZMLFBBLKBMQSO-XYYAHUGASA-N -1 1 380.416 -0.015 20 0 GBADMM Cc1nc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)sc1C(N)=O ZINC001571162346 952741820 /nfs/dbraw/zinc/74/18/20/952741820.db2.gz RBZIMDMFJYLQED-UHFFFAOYSA-N -1 1 380.415 -0.396 20 0 GBADMM CCn1cc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571162348 952742054 /nfs/dbraw/zinc/74/20/54/952742054.db2.gz RDCQPAXWNTYZAC-STQMWFEESA-N -1 1 380.416 -0.095 20 0 GBADMM CCn1cc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571162348 952742051 /nfs/dbraw/zinc/74/20/51/952742051.db2.gz RDCQPAXWNTYZAC-STQMWFEESA-N -1 1 380.416 -0.095 20 0 GBADMM Cc1c(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)cnn1C ZINC001571162375 952743239 /nfs/dbraw/zinc/74/32/39/952743239.db2.gz SGYJWNNIQSSFMO-STQMWFEESA-N -1 1 380.416 -0.269 20 0 GBADMM Cc1c(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)cnn1C ZINC001571162375 952743234 /nfs/dbraw/zinc/74/32/34/952743234.db2.gz SGYJWNNIQSSFMO-STQMWFEESA-N -1 1 380.416 -0.269 20 0 GBADMM CN(C(=O)c1cnc2n1CCC2)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162644 952745417 /nfs/dbraw/zinc/74/54/17/952745417.db2.gz XECDNURTCQIZQR-UHFFFAOYSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cnc2n1CCC2 ZINC001571162693 952745264 /nfs/dbraw/zinc/74/52/64/952745264.db2.gz XXPCBJGUNCYKOP-GHMZBOCLSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cnc2n1CCC2 ZINC001571162694 952745387 /nfs/dbraw/zinc/74/53/87/952745387.db2.gz XXPCBJGUNCYKOP-MNOVXSKESA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cnc2n1CCC2 ZINC001571162695 952745472 /nfs/dbraw/zinc/74/54/72/952745472.db2.gz XXPCBJGUNCYKOP-QWRGUYRKSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cnc2n1CCC2 ZINC001571162696 952744926 /nfs/dbraw/zinc/74/49/26/952744926.db2.gz XXPCBJGUNCYKOP-WDEREUQCSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@]12CN(C(=O)Cc3ncc[nH]3)C[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571162744 952746198 /nfs/dbraw/zinc/74/61/98/952746198.db2.gz ZBMAXDIGMRHZRV-DIFFPNOSSA-N -1 1 380.416 -0.093 20 0 GBADMM C[C@]12CN(C(=O)Cc3ncc[nH]3)C[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571162744 952746195 /nfs/dbraw/zinc/74/61/95/952746195.db2.gz ZBMAXDIGMRHZRV-DIFFPNOSSA-N -1 1 380.416 -0.093 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2cnn(C)c2)n1 ZINC001571162755 952746532 /nfs/dbraw/zinc/74/65/32/952746532.db2.gz ZKXHNFVVXJNBAZ-STQMWFEESA-N -1 1 380.416 -0.269 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2cnn(C)c2)n1 ZINC001571162755 952746525 /nfs/dbraw/zinc/74/65/25/952746525.db2.gz ZKXHNFVVXJNBAZ-STQMWFEESA-N -1 1 380.416 -0.269 20 0 GBADMM O=C([C@H]1CCc2c[nH]nc2C1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571164949 952746452 /nfs/dbraw/zinc/74/64/52/952746452.db2.gz ACQKCGJWFPUIMH-CMPLNLGQSA-N -1 1 380.416 -0.380 20 0 GBADMM O=C([C@@H]1CCc2c[nH]nc2C1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571164952 952745816 /nfs/dbraw/zinc/74/58/16/952745816.db2.gz ACQKCGJWFPUIMH-ZYHUDNBSSA-N -1 1 380.416 -0.380 20 0 GBADMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571165018 952747331 /nfs/dbraw/zinc/74/73/31/952747331.db2.gz AYESZBNGKHKHPN-FRRDWIJNSA-N -1 1 380.416 -0.111 20 0 GBADMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571165018 952747326 /nfs/dbraw/zinc/74/73/26/952747326.db2.gz AYESZBNGKHKHPN-FRRDWIJNSA-N -1 1 380.416 -0.111 20 0 GBADMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571165021 952747653 /nfs/dbraw/zinc/74/76/53/952747653.db2.gz AYESZBNGKHKHPN-RWMBFGLXSA-N -1 1 380.416 -0.111 20 0 GBADMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571165021 952747648 /nfs/dbraw/zinc/74/76/48/952747648.db2.gz AYESZBNGKHKHPN-RWMBFGLXSA-N -1 1 380.416 -0.111 20 0 GBADMM Cc1nn(C)cc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571165065 952747092 /nfs/dbraw/zinc/74/70/92/952747092.db2.gz BRNINMNNWPTSLS-STQMWFEESA-N -1 1 380.416 -0.269 20 0 GBADMM Cc1nn(C)cc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571165065 952747088 /nfs/dbraw/zinc/74/70/88/952747088.db2.gz BRNINMNNWPTSLS-STQMWFEESA-N -1 1 380.416 -0.269 20 0 GBADMM Cn1ccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@@]3(C)C2)n1 ZINC001571165104 952746949 /nfs/dbraw/zinc/74/69/49/952746949.db2.gz CBVUSESMLOMKCD-DIFFPNOSSA-N -1 1 380.416 -0.011 20 0 GBADMM Cn1ccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@@]3(C)C2)n1 ZINC001571165104 952746947 /nfs/dbraw/zinc/74/69/47/952746947.db2.gz CBVUSESMLOMKCD-DIFFPNOSSA-N -1 1 380.416 -0.011 20 0 GBADMM Cn1cncc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571165107 952746826 /nfs/dbraw/zinc/74/68/26/952746826.db2.gz CCGFXFGTBQZSDF-HONMWMINSA-N -1 1 380.416 -0.141 20 0 GBADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn2c1CCC2 ZINC001571165114 952747209 /nfs/dbraw/zinc/74/72/09/952747209.db2.gz CDKSFJVYJZRLJT-XYPYZODXSA-N -1 1 380.416 -0.158 20 0 GBADMM Cn1nccc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571165115 952747592 /nfs/dbraw/zinc/74/75/92/952747592.db2.gz CGPDPKZIWBHYJM-NEPJUHHUSA-N -1 1 380.416 -0.035 20 0 GBADMM Cn1nccc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571165116 952746911 /nfs/dbraw/zinc/74/69/11/952746911.db2.gz CGPDPKZIWBHYJM-NWDGAFQWSA-N -1 1 380.416 -0.035 20 0 GBADMM Cn1nccc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571165117 952746902 /nfs/dbraw/zinc/74/69/02/952746902.db2.gz CGPDPKZIWBHYJM-RYUDHWBXSA-N -1 1 380.416 -0.035 20 0 GBADMM Cn1nccc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571165118 952747002 /nfs/dbraw/zinc/74/70/02/952747002.db2.gz CGPDPKZIWBHYJM-VXGBXAGGSA-N -1 1 380.416 -0.035 20 0 GBADMM O=C(Cn1cccn1)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571165130 952747482 /nfs/dbraw/zinc/74/74/82/952747482.db2.gz CPCARGYRSUHOLL-KRWDZBQOSA-N -1 1 380.416 -0.018 20 0 GBADMM O=C(Cn1cccn1)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571165130 952747477 /nfs/dbraw/zinc/74/74/77/952747477.db2.gz CPCARGYRSUHOLL-KRWDZBQOSA-N -1 1 380.416 -0.018 20 0 GBADMM O=C(Cn1cccn1)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571165131 952747205 /nfs/dbraw/zinc/74/72/05/952747205.db2.gz CPCARGYRSUHOLL-QGZVFWFLSA-N -1 1 380.416 -0.018 20 0 GBADMM O=C(Cn1cccn1)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571165131 952747200 /nfs/dbraw/zinc/74/72/00/952747200.db2.gz CPCARGYRSUHOLL-QGZVFWFLSA-N -1 1 380.416 -0.018 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCn2ccnc2C1 ZINC001571165172 952748350 /nfs/dbraw/zinc/74/83/50/952748350.db2.gz DXPDPACQQBCGMV-NWDGAFQWSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCn2ccnc2C1 ZINC001571165173 952748330 /nfs/dbraw/zinc/74/83/30/952748330.db2.gz DXPDPACQQBCGMV-VXGBXAGGSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C([C@@H]1CCn2ccnc2C1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571165176 952748909 /nfs/dbraw/zinc/74/89/09/952748909.db2.gz FDFMAUQWIYPUIR-GFCCVEGCSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@@H]1CCn2ccnc2C1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571165176 952748908 /nfs/dbraw/zinc/74/89/08/952748908.db2.gz FDFMAUQWIYPUIR-GFCCVEGCSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@H]1CCn2ccnc2C1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571165177 952748778 /nfs/dbraw/zinc/74/87/78/952748778.db2.gz FDFMAUQWIYPUIR-LBPRGKRZSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@H]1CCn2ccnc2C1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571165177 952748777 /nfs/dbraw/zinc/74/87/77/952748777.db2.gz FDFMAUQWIYPUIR-LBPRGKRZSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCc2nccn2C1 ZINC001571165178 952748925 /nfs/dbraw/zinc/74/89/25/952748925.db2.gz FDWNHBBOEZKQSO-NEPJUHHUSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCc2nccn2C1 ZINC001571165178 952748924 /nfs/dbraw/zinc/74/89/24/952748924.db2.gz FDWNHBBOEZKQSO-NEPJUHHUSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCc2nccn2C1 ZINC001571165179 952748112 /nfs/dbraw/zinc/74/81/12/952748112.db2.gz FDWNHBBOEZKQSO-RYUDHWBXSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCc2nccn2C1 ZINC001571165179 952748110 /nfs/dbraw/zinc/74/81/10/952748110.db2.gz FDWNHBBOEZKQSO-RYUDHWBXSA-N -1 1 380.416 -0.189 20 0 GBADMM Cc1cnn(CC(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)c1 ZINC001571165202 952748586 /nfs/dbraw/zinc/74/85/86/952748586.db2.gz FVBHKZMBBZRODO-BETUJISGSA-N -1 1 380.416 -0.244 20 0 GBADMM Cc1cnn(CC(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)c1 ZINC001571165202 952748582 /nfs/dbraw/zinc/74/85/82/952748582.db2.gz FVBHKZMBBZRODO-BETUJISGSA-N -1 1 380.416 -0.244 20 0 GBADMM O=C([C@@H]1CCn2cncc2C1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571165211 952748707 /nfs/dbraw/zinc/74/87/07/952748707.db2.gz GHCNNUNQILQQIK-GFCCVEGCSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@@H]1CCn2cncc2C1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571165211 952748702 /nfs/dbraw/zinc/74/87/02/952748702.db2.gz GHCNNUNQILQQIK-GFCCVEGCSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@H]1CCn2cncc2C1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571165212 952748797 /nfs/dbraw/zinc/74/87/97/952748797.db2.gz GHCNNUNQILQQIK-LBPRGKRZSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@H]1CCn2cncc2C1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571165212 952748796 /nfs/dbraw/zinc/74/87/96/952748796.db2.gz GHCNNUNQILQQIK-LBPRGKRZSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C(CCc1ncccn1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571165222 952748828 /nfs/dbraw/zinc/74/88/28/952748828.db2.gz GOPSXRNHSNRTHD-GFCCVEGCSA-N -1 1 380.416 -0.096 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001571165294 952749896 /nfs/dbraw/zinc/74/98/96/952749896.db2.gz BBYKTIKDBHDCPE-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001571165294 952749891 /nfs/dbraw/zinc/74/98/91/952749891.db2.gz BBYKTIKDBHDCPE-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001571165300 952749874 /nfs/dbraw/zinc/74/98/74/952749874.db2.gz BBYKTIKDBHDCPE-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001571165300 952749868 /nfs/dbraw/zinc/74/98/68/952749868.db2.gz BBYKTIKDBHDCPE-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571165331 952749362 /nfs/dbraw/zinc/74/93/62/952749362.db2.gz BRORJXNAOUIGKZ-AWEZNQCLSA-N -1 1 380.434 -0.648 20 0 GBADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571165331 952749357 /nfs/dbraw/zinc/74/93/57/952749357.db2.gz BRORJXNAOUIGKZ-AWEZNQCLSA-N -1 1 380.434 -0.648 20 0 GBADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571165332 952749553 /nfs/dbraw/zinc/74/95/53/952749553.db2.gz BRORJXNAOUIGKZ-CQSZACIVSA-N -1 1 380.434 -0.648 20 0 GBADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571165332 952749548 /nfs/dbraw/zinc/74/95/48/952749548.db2.gz BRORJXNAOUIGKZ-CQSZACIVSA-N -1 1 380.434 -0.648 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165348 952749291 /nfs/dbraw/zinc/74/92/91/952749291.db2.gz BVTKXWMVNNCUMK-JTQLQIEISA-N -1 1 380.434 -0.648 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165348 952749290 /nfs/dbraw/zinc/74/92/90/952749290.db2.gz BVTKXWMVNNCUMK-JTQLQIEISA-N -1 1 380.434 -0.648 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165350 952749466 /nfs/dbraw/zinc/74/94/66/952749466.db2.gz BVTKXWMVNNCUMK-SNVBAGLBSA-N -1 1 380.434 -0.648 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165350 952749461 /nfs/dbraw/zinc/74/94/61/952749461.db2.gz BVTKXWMVNNCUMK-SNVBAGLBSA-N -1 1 380.434 -0.648 20 0 GBADMM O=C([C@H]1CCCc2n[nH]cc21)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571165448 952750784 /nfs/dbraw/zinc/75/07/84/952750784.db2.gz HASJFVFETBNAFV-QWRGUYRKSA-N -1 1 380.416 -0.065 20 0 GBADMM O=C([C@@H]1CCCc2n[nH]cc21)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571165449 952750718 /nfs/dbraw/zinc/75/07/18/952750718.db2.gz HASJFVFETBNAFV-WDEREUQCSA-N -1 1 380.416 -0.065 20 0 GBADMM O=C(CCc1ccncn1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571165454 952750587 /nfs/dbraw/zinc/75/05/87/952750587.db2.gz HEIZZRIMSRMKQZ-CYBMUJFWSA-N -1 1 380.416 -0.096 20 0 GBADMM Cn1nc2c(c1C(=O)N[C@H]1CCN(c3nccnc3-c3nn[n-]n3)C1)CCC2 ZINC001571165496 952752000 /nfs/dbraw/zinc/75/20/00/952752000.db2.gz IEWSBFOTVOKLMD-JTQLQIEISA-N -1 1 380.416 -0.112 20 0 GBADMM Cn1nc2c(c1C(=O)N[C@H]1CCN(c3nccnc3-c3nnn[n-]3)C1)CCC2 ZINC001571165496 952751993 /nfs/dbraw/zinc/75/19/93/952751993.db2.gz IEWSBFOTVOKLMD-JTQLQIEISA-N -1 1 380.416 -0.112 20 0 GBADMM Cn1nc2c(c1C(=O)N[C@@H]1CCN(c3nccnc3-c3nn[n-]n3)C1)CCC2 ZINC001571165497 952751960 /nfs/dbraw/zinc/75/19/60/952751960.db2.gz IEWSBFOTVOKLMD-SNVBAGLBSA-N -1 1 380.416 -0.112 20 0 GBADMM Cn1nc2c(c1C(=O)N[C@@H]1CCN(c3nccnc3-c3nnn[n-]3)C1)CCC2 ZINC001571165497 952751955 /nfs/dbraw/zinc/75/19/55/952751955.db2.gz IEWSBFOTVOKLMD-SNVBAGLBSA-N -1 1 380.416 -0.112 20 0 GBADMM Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571165501 952752538 /nfs/dbraw/zinc/75/25/38/952752538.db2.gz IJGDRRLXAXXDGZ-STQMWFEESA-N -1 1 380.416 -0.188 20 0 GBADMM Cn1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571165503 952751702 /nfs/dbraw/zinc/75/17/02/952751702.db2.gz INBZFMBZLMSJTC-DYEKYZERSA-N -1 1 380.416 -0.141 20 0 GBADMM Cn1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571165503 952751700 /nfs/dbraw/zinc/75/17/00/952751700.db2.gz INBZFMBZLMSJTC-DYEKYZERSA-N -1 1 380.416 -0.141 20 0 GBADMM Cc1ncc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)n1C ZINC001571165516 952752160 /nfs/dbraw/zinc/75/21/60/952752160.db2.gz IVTNPXJZUJNSNC-TXEJJXNPSA-N -1 1 380.416 -0.093 20 0 GBADMM Cc1ncc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)n1C ZINC001571165516 952752150 /nfs/dbraw/zinc/75/21/50/952752150.db2.gz IVTNPXJZUJNSNC-TXEJJXNPSA-N -1 1 380.416 -0.093 20 0 GBADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2cncn2C1 ZINC001571165523 952752130 /nfs/dbraw/zinc/75/21/30/952752130.db2.gz IYXCWKKCOXTUAT-NEPJUHHUSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCc2cncn2C1 ZINC001571165523 952752125 /nfs/dbraw/zinc/75/21/25/952752125.db2.gz IYXCWKKCOXTUAT-NEPJUHHUSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2cncn2C1 ZINC001571165524 952752659 /nfs/dbraw/zinc/75/26/59/952752659.db2.gz IYXCWKKCOXTUAT-RYUDHWBXSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCc2cncn2C1 ZINC001571165524 952752655 /nfs/dbraw/zinc/75/26/55/952752655.db2.gz IYXCWKKCOXTUAT-RYUDHWBXSA-N -1 1 380.416 -0.189 20 0 GBADMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571165529 952752644 /nfs/dbraw/zinc/75/26/44/952752644.db2.gz JCBQBFGIQCTDST-FRRDWIJNSA-N -1 1 380.416 -0.111 20 0 GBADMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571165529 952752641 /nfs/dbraw/zinc/75/26/41/952752641.db2.gz JCBQBFGIQCTDST-FRRDWIJNSA-N -1 1 380.416 -0.111 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCn2cncc2C1 ZINC001571165532 952751662 /nfs/dbraw/zinc/75/16/62/952751662.db2.gz JFKRCDGAYCYROS-NEPJUHHUSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCn2cncc2C1 ZINC001571165533 952752365 /nfs/dbraw/zinc/75/23/65/952752365.db2.gz JFKRCDGAYCYROS-NWDGAFQWSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCn2cncc2C1 ZINC001571165534 952752591 /nfs/dbraw/zinc/75/25/91/952752591.db2.gz JFKRCDGAYCYROS-RYUDHWBXSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCn2cncc2C1 ZINC001571165535 952751776 /nfs/dbraw/zinc/75/17/76/952751776.db2.gz JFKRCDGAYCYROS-VXGBXAGGSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCn2cncc2C1 ZINC001571165540 952752274 /nfs/dbraw/zinc/75/22/74/952752274.db2.gz JHQXLTFAEMFOJV-SDDRHHMPSA-N -1 1 380.416 -0.403 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCn2cncc2C1 ZINC001571165541 952752618 /nfs/dbraw/zinc/75/26/18/952752618.db2.gz JHQXLTFAEMFOJV-UTUOFQBUSA-N -1 1 380.416 -0.403 20 0 GBADMM O=C(NCC[C@@H]1CCSC1)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571165554 952752564 /nfs/dbraw/zinc/75/25/64/952752564.db2.gz DSKCCAUJUKZYNJ-SECBINFHSA-N -1 1 380.434 -0.429 20 0 GBADMM O=C(NCC[C@H]1CCSC1)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571165555 952751675 /nfs/dbraw/zinc/75/16/75/952751675.db2.gz DSKCCAUJUKZYNJ-VIFPVBQESA-N -1 1 380.434 -0.429 20 0 GBADMM O=C(c1cnc2n1CCC2)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571165600 952753343 /nfs/dbraw/zinc/75/33/43/952753343.db2.gz GTHIPUTVCVKRQV-LLVKDONJSA-N -1 1 380.416 -0.062 20 0 GBADMM O=C(c1cnc2n1CCC2)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571165601 952753270 /nfs/dbraw/zinc/75/32/70/952753270.db2.gz GTHIPUTVCVKRQV-NSHDSACASA-N -1 1 380.416 -0.062 20 0 GBADMM O=C(NCCO)C1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001571165610 952753787 /nfs/dbraw/zinc/75/37/87/952753787.db2.gz GWHNZVFXCSUONO-UHFFFAOYSA-N -1 1 380.434 -0.647 20 0 GBADMM O=C(NCCO)C1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001571165610 952753784 /nfs/dbraw/zinc/75/37/84/952753784.db2.gz GWHNZVFXCSUONO-UHFFFAOYSA-N -1 1 380.434 -0.647 20 0 GBADMM Cn1cncc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571165747 952753933 /nfs/dbraw/zinc/75/39/33/952753933.db2.gz JMEPKWJFEZZVTC-SMDDNHRTSA-N -1 1 380.416 -0.330 20 0 GBADMM O=C(c1cc2n(n1)CCCC2)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571165798 952755126 /nfs/dbraw/zinc/75/51/26/952755126.db2.gz LEPVRHWFBRGMCH-LLVKDONJSA-N -1 1 380.416 -0.062 20 0 GBADMM Cn1cc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)cn1 ZINC001571165807 952755222 /nfs/dbraw/zinc/75/52/22/952755222.db2.gz LIGQDTWXZPGJJI-YPMHNXCESA-N -1 1 380.416 -0.011 20 0 GBADMM Cn1cc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)cn1 ZINC001571165807 952755221 /nfs/dbraw/zinc/75/52/21/952755221.db2.gz LIGQDTWXZPGJJI-YPMHNXCESA-N -1 1 380.416 -0.011 20 0 GBADMM Cc1nccc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571165813 952755160 /nfs/dbraw/zinc/75/51/60/952755160.db2.gz LLHHPSYTWPHTIK-CMPLNLGQSA-N -1 1 380.416 -0.003 20 0 GBADMM Cc1nccc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571165814 952754559 /nfs/dbraw/zinc/75/45/59/952754559.db2.gz LLHHPSYTWPHTIK-JQWIXIFHSA-N -1 1 380.416 -0.003 20 0 GBADMM Cc1nccc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571165815 952755236 /nfs/dbraw/zinc/75/52/36/952755236.db2.gz LLHHPSYTWPHTIK-PWSUYJOCSA-N -1 1 380.416 -0.003 20 0 GBADMM Cc1nccc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571165816 952755171 /nfs/dbraw/zinc/75/51/71/952755171.db2.gz LLHHPSYTWPHTIK-ZYHUDNBSSA-N -1 1 380.416 -0.003 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H](O)CC2(CCOCC2)C1 ZINC001571166011 952757176 /nfs/dbraw/zinc/75/71/76/952757176.db2.gz KAHMTLSMMVNPBJ-LLVKDONJSA-N -1 1 380.430 -0.186 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H](O)CC2(CCOCC2)C1 ZINC001571166011 952757175 /nfs/dbraw/zinc/75/71/75/952757175.db2.gz KAHMTLSMMVNPBJ-LLVKDONJSA-N -1 1 380.430 -0.186 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001571166015 952756889 /nfs/dbraw/zinc/75/68/89/952756889.db2.gz KAHMTLSMMVNPBJ-NSHDSACASA-N -1 1 380.430 -0.186 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001571166015 952756885 /nfs/dbraw/zinc/75/68/85/952756885.db2.gz KAHMTLSMMVNPBJ-NSHDSACASA-N -1 1 380.430 -0.186 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001571166019 952757202 /nfs/dbraw/zinc/75/72/02/952757202.db2.gz KATVUGPWYZEFNJ-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001571166019 952757198 /nfs/dbraw/zinc/75/71/98/952757198.db2.gz KATVUGPWYZEFNJ-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001571166025 952757326 /nfs/dbraw/zinc/75/73/26/952757326.db2.gz KATVUGPWYZEFNJ-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001571166025 952757324 /nfs/dbraw/zinc/75/73/24/952757324.db2.gz KATVUGPWYZEFNJ-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001571166027 952757057 /nfs/dbraw/zinc/75/70/57/952757057.db2.gz KATVUGPWYZEFNJ-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001571166027 952757055 /nfs/dbraw/zinc/75/70/55/952757055.db2.gz KATVUGPWYZEFNJ-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM Cn1ccc(CC(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001571166028 952757332 /nfs/dbraw/zinc/75/73/32/952757332.db2.gz MQTHUPKKSLPVTM-SMDDNHRTSA-N -1 1 380.416 -0.330 20 0 GBADMM Cn1ccc(CC(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)n1 ZINC001571166028 952757330 /nfs/dbraw/zinc/75/73/30/952757330.db2.gz MQTHUPKKSLPVTM-SMDDNHRTSA-N -1 1 380.416 -0.330 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001571166030 952756952 /nfs/dbraw/zinc/75/69/52/952756952.db2.gz KATVUGPWYZEFNJ-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001571166030 952756949 /nfs/dbraw/zinc/75/69/49/952756949.db2.gz KATVUGPWYZEFNJ-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM O=C(NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cn2c(n1)CCC2 ZINC001571166047 952757512 /nfs/dbraw/zinc/75/75/12/952757512.db2.gz MXIAVZNPIDCNKL-UHFFFAOYSA-N -1 1 380.416 -0.158 20 0 GBADMM O=C(c1cnc2n1CCC2)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166049 952756841 /nfs/dbraw/zinc/75/68/41/952756841.db2.gz KEEKVXGKFRQGLL-NSHDSACASA-N -1 1 380.416 -0.062 20 0 GBADMM Cn1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571166093 952758320 /nfs/dbraw/zinc/75/83/20/952758320.db2.gz NKTDBPKQDAPHIQ-AGIUHOORSA-N -1 1 380.416 -0.141 20 0 GBADMM Cn1ccc(CC(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)n1 ZINC001571166127 952758200 /nfs/dbraw/zinc/75/82/00/952758200.db2.gz OGEHXXLTRNWJKV-TXEJJXNPSA-N -1 1 380.416 -0.473 20 0 GBADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166156 952758891 /nfs/dbraw/zinc/75/88/91/952758891.db2.gz OZHZWENLHWKCLA-NSHDSACASA-N -1 1 380.416 -0.062 20 0 GBADMM O=C(CCc1cn[nH]c1)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571166158 952758842 /nfs/dbraw/zinc/75/88/42/952758842.db2.gz PAYPBOYBBWFQFC-BETUJISGSA-N -1 1 380.416 -0.093 20 0 GBADMM O=C(CCc1cn[nH]c1)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571166158 952758840 /nfs/dbraw/zinc/75/88/40/952758840.db2.gz PAYPBOYBBWFQFC-BETUJISGSA-N -1 1 380.416 -0.093 20 0 GBADMM Cn1cncc1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571166196 952759964 /nfs/dbraw/zinc/75/99/64/952759964.db2.gz PVUUILZYCCVAJJ-DIFFPNOSSA-N -1 1 380.416 -0.011 20 0 GBADMM Cn1cncc1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001571166196 952759960 /nfs/dbraw/zinc/75/99/60/952759960.db2.gz PVUUILZYCCVAJJ-DIFFPNOSSA-N -1 1 380.416 -0.011 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001571166289 952759386 /nfs/dbraw/zinc/75/93/86/952759386.db2.gz LJQSZOVPNRMMLP-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001571166289 952759382 /nfs/dbraw/zinc/75/93/82/952759382.db2.gz LJQSZOVPNRMMLP-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM Cn1ccnc1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571166301 952759763 /nfs/dbraw/zinc/75/97/63/952759763.db2.gz QNXGSXRFKDBSLM-RYUDHWBXSA-N -1 1 380.416 -0.188 20 0 GBADMM Cn1ccnc1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571166301 952759757 /nfs/dbraw/zinc/75/97/57/952759757.db2.gz QNXGSXRFKDBSLM-RYUDHWBXSA-N -1 1 380.416 -0.188 20 0 GBADMM Cn1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571166315 952760369 /nfs/dbraw/zinc/76/03/69/952760369.db2.gz QSFOQSZXJVWYNV-BETUJISGSA-N -1 1 380.416 -0.188 20 0 GBADMM Cn1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571166315 952760366 /nfs/dbraw/zinc/76/03/66/952760366.db2.gz QSFOQSZXJVWYNV-BETUJISGSA-N -1 1 380.416 -0.188 20 0 GBADMM O=C(Cc1c[nH]cn1)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166317 952761018 /nfs/dbraw/zinc/76/10/18/952761018.db2.gz QSJSUFJWCSVPBV-NEPJUHHUSA-N -1 1 380.416 -0.116 20 0 GBADMM O=C(Cc1c[nH]cn1)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166321 952760573 /nfs/dbraw/zinc/76/05/73/952760573.db2.gz QSJSUFJWCSVPBV-NWDGAFQWSA-N -1 1 380.416 -0.116 20 0 GBADMM O=C(Cc1c[nH]cn1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166324 952760806 /nfs/dbraw/zinc/76/08/06/952760806.db2.gz QSJSUFJWCSVPBV-RYUDHWBXSA-N -1 1 380.416 -0.116 20 0 GBADMM O=C(Cc1c[nH]cn1)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166327 952760376 /nfs/dbraw/zinc/76/03/76/952760376.db2.gz QSJSUFJWCSVPBV-VXGBXAGGSA-N -1 1 380.416 -0.116 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCc2nccn2C1 ZINC001571166336 952760473 /nfs/dbraw/zinc/76/04/73/952760473.db2.gz QXYDGUGNKJKZDK-NEPJUHHUSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCc2nccn2C1 ZINC001571166336 952760467 /nfs/dbraw/zinc/76/04/67/952760467.db2.gz QXYDGUGNKJKZDK-NEPJUHHUSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCc2nccn2C1 ZINC001571166341 952760679 /nfs/dbraw/zinc/76/06/79/952760679.db2.gz QXYDGUGNKJKZDK-NWDGAFQWSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCc2nccn2C1 ZINC001571166341 952760675 /nfs/dbraw/zinc/76/06/75/952760675.db2.gz QXYDGUGNKJKZDK-NWDGAFQWSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCc2nccn2C1 ZINC001571166344 952760490 /nfs/dbraw/zinc/76/04/90/952760490.db2.gz QXYDGUGNKJKZDK-RYUDHWBXSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCc2nccn2C1 ZINC001571166344 952760482 /nfs/dbraw/zinc/76/04/82/952760482.db2.gz QXYDGUGNKJKZDK-RYUDHWBXSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCc2nccn2C1 ZINC001571166347 952760776 /nfs/dbraw/zinc/76/07/76/952760776.db2.gz QXYDGUGNKJKZDK-VXGBXAGGSA-N -1 1 380.416 -0.189 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCc2nccn2C1 ZINC001571166347 952760773 /nfs/dbraw/zinc/76/07/73/952760773.db2.gz QXYDGUGNKJKZDK-VXGBXAGGSA-N -1 1 380.416 -0.189 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571166363 952760504 /nfs/dbraw/zinc/76/05/04/952760504.db2.gz LUEZOAZTTXHGRV-SNVBAGLBSA-N -1 1 380.434 -0.506 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571166363 952760501 /nfs/dbraw/zinc/76/05/01/952760501.db2.gz LUEZOAZTTXHGRV-SNVBAGLBSA-N -1 1 380.434 -0.506 20 0 GBADMM Cn1cc(CC(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)cn1 ZINC001571166395 952760514 /nfs/dbraw/zinc/76/05/14/952760514.db2.gz RJMQOCXBOQJTAF-BETUJISGSA-N -1 1 380.416 -0.473 20 0 GBADMM Cn1cc(CC(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)cn1 ZINC001571166395 952760512 /nfs/dbraw/zinc/76/05/12/952760512.db2.gz RJMQOCXBOQJTAF-BETUJISGSA-N -1 1 380.416 -0.473 20 0 GBADMM Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571166420 952760635 /nfs/dbraw/zinc/76/06/35/952760635.db2.gz RKRQGEBJIPDOKW-OSMZGAPFSA-N -1 1 380.416 -0.141 20 0 GBADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC001571166426 952761052 /nfs/dbraw/zinc/76/10/52/952761052.db2.gz MIWQUKSSWGRXAN-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC001571166426 952761048 /nfs/dbraw/zinc/76/10/48/952761048.db2.gz MIWQUKSSWGRXAN-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM Cn1cc(CC(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cn1 ZINC001571166488 952761804 /nfs/dbraw/zinc/76/18/04/952761804.db2.gz SPVASSQOQJXEOS-QWHCGFSZSA-N -1 1 380.416 -0.330 20 0 GBADMM O=C(Cn1cccn1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571166509 952761840 /nfs/dbraw/zinc/76/18/40/952761840.db2.gz SUBKLFRWJMBUCH-UHFFFAOYSA-N -1 1 380.416 -0.185 20 0 GBADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166530 952763456 /nfs/dbraw/zinc/76/34/56/952763456.db2.gz SVTHRIVOKXXTHG-IJLUTSLNSA-N -1 1 380.416 -0.111 20 0 GBADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166532 952763213 /nfs/dbraw/zinc/76/32/13/952763213.db2.gz SVTHRIVOKXXTHG-QJPTWQEYSA-N -1 1 380.416 -0.111 20 0 GBADMM O=C(Cn1cccn1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571166545 952762928 /nfs/dbraw/zinc/76/29/28/952762928.db2.gz SXSVPCLXHLFNBT-OLZOCXBDSA-N -1 1 380.416 -0.162 20 0 GBADMM O=C(Cn1cccn1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571166545 952762925 /nfs/dbraw/zinc/76/29/25/952762925.db2.gz SXSVPCLXHLFNBT-OLZOCXBDSA-N -1 1 380.416 -0.162 20 0 GBADMM Cc1cnn(C)c1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571166549 952763244 /nfs/dbraw/zinc/76/32/44/952763244.db2.gz TUBUEYWTEUDXCX-CNDDSTCGSA-N -1 1 380.416 -0.189 20 0 GBADMM Cc1cnn(C)c1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571166549 952763241 /nfs/dbraw/zinc/76/32/41/952763241.db2.gz TUBUEYWTEUDXCX-CNDDSTCGSA-N -1 1 380.416 -0.189 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CS(C)(=O)=O ZINC001571166551 952762669 /nfs/dbraw/zinc/76/26/69/952762669.db2.gz MSHGBPCGRUJYIO-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CS(C)(=O)=O ZINC001571166551 952762667 /nfs/dbraw/zinc/76/26/67/952762667.db2.gz MSHGBPCGRUJYIO-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CS(C)(=O)=O ZINC001571166553 952763064 /nfs/dbraw/zinc/76/30/64/952763064.db2.gz MSHGBPCGRUJYIO-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CS(C)(=O)=O ZINC001571166553 952763063 /nfs/dbraw/zinc/76/30/63/952763063.db2.gz MSHGBPCGRUJYIO-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CS(C)(=O)=O ZINC001571166555 952763072 /nfs/dbraw/zinc/76/30/72/952763072.db2.gz MSHGBPCGRUJYIO-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CS(C)(=O)=O ZINC001571166555 952763069 /nfs/dbraw/zinc/76/30/69/952763069.db2.gz MSHGBPCGRUJYIO-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CS(C)(=O)=O ZINC001571166558 952763437 /nfs/dbraw/zinc/76/34/37/952763437.db2.gz MSHGBPCGRUJYIO-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CS(C)(=O)=O ZINC001571166558 952763433 /nfs/dbraw/zinc/76/34/33/952763433.db2.gz MSHGBPCGRUJYIO-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM O=C([C@@H]1CCc2nccn2C1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571166565 952762733 /nfs/dbraw/zinc/76/27/33/952762733.db2.gz TUIQTIYGDFSRAP-GFCCVEGCSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@@H]1CCc2nccn2C1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571166565 952762730 /nfs/dbraw/zinc/76/27/30/952762730.db2.gz TUIQTIYGDFSRAP-GFCCVEGCSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@H]1CCc2nccn2C1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571166568 952763268 /nfs/dbraw/zinc/76/32/68/952763268.db2.gz TUIQTIYGDFSRAP-LBPRGKRZSA-N -1 1 380.416 -0.236 20 0 GBADMM O=C([C@H]1CCc2nccn2C1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571166568 952763266 /nfs/dbraw/zinc/76/32/66/952763266.db2.gz TUIQTIYGDFSRAP-LBPRGKRZSA-N -1 1 380.416 -0.236 20 0 GBADMM Cn1nccc1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571166664 952764376 /nfs/dbraw/zinc/76/43/76/952764376.db2.gz USXNHYWRYNDFPX-UHFFFAOYSA-N -1 1 380.416 -0.035 20 0 GBADMM Cn1cncc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571166670 952763991 /nfs/dbraw/zinc/76/39/91/952763991.db2.gz UYCRIDUHIIDXAY-NEPJUHHUSA-N -1 1 380.416 -0.011 20 0 GBADMM Cn1cncc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571166670 952763984 /nfs/dbraw/zinc/76/39/84/952763984.db2.gz UYCRIDUHIIDXAY-NEPJUHHUSA-N -1 1 380.416 -0.011 20 0 GBADMM O=C(CCn1cccn1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571166672 952763924 /nfs/dbraw/zinc/76/39/24/952763924.db2.gz UZJDYRHZTFHDSU-BETUJISGSA-N -1 1 380.416 -0.162 20 0 GBADMM O=C(CCn1cccn1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571166672 952763917 /nfs/dbraw/zinc/76/39/17/952763917.db2.gz UZJDYRHZTFHDSU-BETUJISGSA-N -1 1 380.416 -0.162 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571166741 952764089 /nfs/dbraw/zinc/76/40/89/952764089.db2.gz VEYQRSMWYXYVPX-AXFHLTTASA-N -1 1 380.416 -0.019 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571166742 952763708 /nfs/dbraw/zinc/76/37/08/952763708.db2.gz VEYQRSMWYXYVPX-OUAUKWLOSA-N -1 1 380.416 -0.019 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166767 952765443 /nfs/dbraw/zinc/76/54/43/952765443.db2.gz PYJXJOPOCYHFNA-JTQLQIEISA-N -1 1 380.434 -0.648 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166767 952765440 /nfs/dbraw/zinc/76/54/40/952765440.db2.gz PYJXJOPOCYHFNA-JTQLQIEISA-N -1 1 380.434 -0.648 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166770 952765702 /nfs/dbraw/zinc/76/57/02/952765702.db2.gz PYJXJOPOCYHFNA-SNVBAGLBSA-N -1 1 380.434 -0.648 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166770 952765701 /nfs/dbraw/zinc/76/57/01/952765701.db2.gz PYJXJOPOCYHFNA-SNVBAGLBSA-N -1 1 380.434 -0.648 20 0 GBADMM Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571166830 952764993 /nfs/dbraw/zinc/76/49/93/952764993.db2.gz XAMYJUYIYXWSQF-WXHSDQCUSA-N -1 1 380.416 -0.141 20 0 GBADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC001571166857 952767006 /nfs/dbraw/zinc/76/70/06/952767006.db2.gz QQLVHAMPNCKRBA-JTQLQIEISA-N -1 1 380.430 -0.140 20 0 GBADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC001571166857 952767005 /nfs/dbraw/zinc/76/70/05/952767005.db2.gz QQLVHAMPNCKRBA-JTQLQIEISA-N -1 1 380.430 -0.140 20 0 GBADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC001571166860 952766811 /nfs/dbraw/zinc/76/68/11/952766811.db2.gz QQLVHAMPNCKRBA-SNVBAGLBSA-N -1 1 380.430 -0.140 20 0 GBADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC001571166860 952766807 /nfs/dbraw/zinc/76/68/07/952766807.db2.gz QQLVHAMPNCKRBA-SNVBAGLBSA-N -1 1 380.430 -0.140 20 0 GBADMM O=C(CCn1cccn1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571166862 952766243 /nfs/dbraw/zinc/76/62/43/952766243.db2.gz YIELOHTVFGISTK-QWHCGFSZSA-N -1 1 380.416 -0.019 20 0 GBADMM O=C(CCn1cccn1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571166862 952766238 /nfs/dbraw/zinc/76/62/38/952766238.db2.gz YIELOHTVFGISTK-QWHCGFSZSA-N -1 1 380.416 -0.019 20 0 GBADMM Cn1nccc1C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571166875 952766496 /nfs/dbraw/zinc/76/64/96/952766496.db2.gz YMYJAZVVSZIIJN-NEPJUHHUSA-N -1 1 380.416 -0.011 20 0 GBADMM Cn1nccc1C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571166875 952766490 /nfs/dbraw/zinc/76/64/90/952766490.db2.gz YMYJAZVVSZIIJN-NEPJUHHUSA-N -1 1 380.416 -0.011 20 0 GBADMM O=C(Cn1cc(C2CC2)cn1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166958 952767792 /nfs/dbraw/zinc/76/77/92/952767792.db2.gz ZESPIHVBHQPEPW-ZDUSSCGKSA-N -1 1 380.416 -0.135 20 0 GBADMM O=C([C@@H]1CCc2n[nH]cc2C1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571166962 952768118 /nfs/dbraw/zinc/76/81/18/952768118.db2.gz ZIPCKULPBCWYOS-LLVKDONJSA-N -1 1 380.416 -0.167 20 0 GBADMM O=C([C@H]1CCc2n[nH]cc2C1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571166963 952767714 /nfs/dbraw/zinc/76/77/14/952767714.db2.gz ZIPCKULPBCWYOS-NSHDSACASA-N -1 1 380.416 -0.167 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC001571166978 952767614 /nfs/dbraw/zinc/76/76/14/952767614.db2.gz ZTXSZUZXEIJLPJ-CMPLNLGQSA-N -1 1 380.416 -0.120 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC001571166979 952768050 /nfs/dbraw/zinc/76/80/50/952768050.db2.gz ZTXSZUZXEIJLPJ-JQWIXIFHSA-N -1 1 380.416 -0.120 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC001571166980 952768148 /nfs/dbraw/zinc/76/81/48/952768148.db2.gz ZTXSZUZXEIJLPJ-PWSUYJOCSA-N -1 1 380.416 -0.120 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC001571166981 952768091 /nfs/dbraw/zinc/76/80/91/952768091.db2.gz ZTXSZUZXEIJLPJ-ZYHUDNBSSA-N -1 1 380.416 -0.120 20 0 GBADMM C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571166991 952768194 /nfs/dbraw/zinc/76/81/94/952768194.db2.gz RZDRAHQBYIUTIP-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571166991 952768192 /nfs/dbraw/zinc/76/81/92/952768192.db2.gz RZDRAHQBYIUTIP-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571166992 952767570 /nfs/dbraw/zinc/76/75/70/952767570.db2.gz RZDRAHQBYIUTIP-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571166992 952767567 /nfs/dbraw/zinc/76/75/67/952767567.db2.gz RZDRAHQBYIUTIP-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571166993 952767438 /nfs/dbraw/zinc/76/74/38/952767438.db2.gz RZDRAHQBYIUTIP-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571166993 952767434 /nfs/dbraw/zinc/76/74/34/952767434.db2.gz RZDRAHQBYIUTIP-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571166994 952767949 /nfs/dbraw/zinc/76/79/49/952767949.db2.gz RZDRAHQBYIUTIP-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571166994 952767948 /nfs/dbraw/zinc/76/79/48/952767948.db2.gz RZDRAHQBYIUTIP-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H]1CCCSC1 ZINC001571167050 952768567 /nfs/dbraw/zinc/76/85/67/952768567.db2.gz UHNSTAOHGZHNLZ-SECBINFHSA-N -1 1 380.434 -0.429 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H]1CCCSC1 ZINC001571167051 952769430 /nfs/dbraw/zinc/76/94/30/952769430.db2.gz UHNSTAOHGZHNLZ-VIFPVBQESA-N -1 1 380.434 -0.429 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H](CO)[C@H]2CO)cc1-c1nn[n-]n1 ZINC001571167110 952770500 /nfs/dbraw/zinc/77/05/00/952770500.db2.gz VUSHPVUDDAKWCX-GZMMTYOYSA-N -1 1 380.430 -0.105 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(S(C)(=O)=O)C1 ZINC001571167172 952771603 /nfs/dbraw/zinc/77/16/03/952771603.db2.gz XINHDNWCWZNMMM-UHFFFAOYSA-N -1 1 380.430 -0.228 20 0 GBADMM O=S(=O)(NCC1(C2(O)CCOCC2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571167182 952771438 /nfs/dbraw/zinc/77/14/38/952771438.db2.gz XPVLEBDLXISGLQ-UHFFFAOYSA-N -1 1 380.430 -0.138 20 0 GBADMM O=S(=O)(NCC1(C2(O)CCOCC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571167182 952771436 /nfs/dbraw/zinc/77/14/36/952771436.db2.gz XPVLEBDLXISGLQ-UHFFFAOYSA-N -1 1 380.430 -0.138 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571167196 952771214 /nfs/dbraw/zinc/77/12/14/952771214.db2.gz XXRZJFIHBQVHCT-UHFFFAOYSA-N -1 1 380.434 -0.648 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571167196 952771208 /nfs/dbraw/zinc/77/12/08/952771208.db2.gz XXRZJFIHBQVHCT-UHFFFAOYSA-N -1 1 380.434 -0.648 20 0 GBADMM CCc1cccnc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571169989 952781991 /nfs/dbraw/zinc/78/19/91/952781991.db2.gz BVKAOKKEWGUUJF-CHWSQXEVSA-N -1 1 381.400 -0.406 20 0 GBADMM CCc1cccnc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571169989 952781989 /nfs/dbraw/zinc/78/19/89/952781989.db2.gz BVKAOKKEWGUUJF-CHWSQXEVSA-N -1 1 381.400 -0.406 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cccnc1 ZINC001571170010 952781777 /nfs/dbraw/zinc/78/17/77/952781777.db2.gz CHNJVLHJSIBRNL-RTXFEEFZSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cccnc1 ZINC001571170011 952781954 /nfs/dbraw/zinc/78/19/54/952781954.db2.gz CHNJVLHJSIBRNL-UHTWSYAYSA-N -1 1 381.400 -0.479 20 0 GBADMM CCc1cccnc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001571170093 952782828 /nfs/dbraw/zinc/78/28/28/952782828.db2.gz CXZAJYSYFVXWOX-NEPJUHHUSA-N -1 1 381.400 -0.406 20 0 GBADMM CCc1cccnc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001571170093 952782826 /nfs/dbraw/zinc/78/28/26/952782826.db2.gz CXZAJYSYFVXWOX-NEPJUHHUSA-N -1 1 381.400 -0.406 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC001571170101 952782517 /nfs/dbraw/zinc/78/25/17/952782517.db2.gz DCFKIKUWLAYICK-NEPJUHHUSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC001571170101 952782512 /nfs/dbraw/zinc/78/25/12/952782512.db2.gz DCFKIKUWLAYICK-NEPJUHHUSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC001571170103 952783333 /nfs/dbraw/zinc/78/33/33/952783333.db2.gz DCFKIKUWLAYICK-NWDGAFQWSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC001571170103 952783330 /nfs/dbraw/zinc/78/33/30/952783330.db2.gz DCFKIKUWLAYICK-NWDGAFQWSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC001571170105 952782620 /nfs/dbraw/zinc/78/26/20/952782620.db2.gz DCFKIKUWLAYICK-RYUDHWBXSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC001571170105 952782617 /nfs/dbraw/zinc/78/26/17/952782617.db2.gz DCFKIKUWLAYICK-RYUDHWBXSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC001571170107 952782627 /nfs/dbraw/zinc/78/26/27/952782627.db2.gz DCFKIKUWLAYICK-VXGBXAGGSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC001571170107 952782625 /nfs/dbraw/zinc/78/26/25/952782625.db2.gz DCFKIKUWLAYICK-VXGBXAGGSA-N -1 1 381.400 -0.080 20 0 GBADMM CN(C(=O)Cn1ccccc1=O)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571170341 952785154 /nfs/dbraw/zinc/78/51/54/952785154.db2.gz GWOFAXHYSQRGJT-UHFFFAOYSA-N -1 1 381.400 -0.080 20 0 GBADMM CN(C(=O)Cn1ccccc1=O)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571170341 952785152 /nfs/dbraw/zinc/78/51/52/952785152.db2.gz GWOFAXHYSQRGJT-UHFFFAOYSA-N -1 1 381.400 -0.080 20 0 GBADMM CCc1cncc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)c1 ZINC001571170347 952785066 /nfs/dbraw/zinc/78/50/66/952785066.db2.gz HAYCEDDGFQTSHK-OLZOCXBDSA-N -1 1 381.400 -0.406 20 0 GBADMM CCc1cncc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)c1 ZINC001571170347 952785063 /nfs/dbraw/zinc/78/50/63/952785063.db2.gz HAYCEDDGFQTSHK-OLZOCXBDSA-N -1 1 381.400 -0.406 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)n1 ZINC001571170432 952785934 /nfs/dbraw/zinc/78/59/34/952785934.db2.gz JUDJSBBUZJMEAW-CHWSQXEVSA-N -1 1 381.400 -0.406 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)n1 ZINC001571170432 952785933 /nfs/dbraw/zinc/78/59/33/952785933.db2.gz JUDJSBBUZJMEAW-CHWSQXEVSA-N -1 1 381.400 -0.406 20 0 GBADMM Cn1cc(C[C@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC001571170439 952785594 /nfs/dbraw/zinc/78/55/94/952785594.db2.gz JXVPWAZQXJGSCU-LLVKDONJSA-N -1 1 381.393 -0.379 20 0 GBADMM Cn1cc(C[C@@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC001571170639 952787053 /nfs/dbraw/zinc/78/70/53/952787053.db2.gz JXVPWAZQXJGSCU-NSHDSACASA-N -1 1 381.393 -0.379 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cccnc1 ZINC001571171106 952791492 /nfs/dbraw/zinc/79/14/92/952791492.db2.gz OXFYWERXKGPCGW-LERXQTSPSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cccnc1 ZINC001571171106 952791489 /nfs/dbraw/zinc/79/14/89/952791489.db2.gz OXFYWERXKGPCGW-LERXQTSPSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cccnc1 ZINC001571171107 952791645 /nfs/dbraw/zinc/79/16/45/952791645.db2.gz OXFYWERXKGPCGW-ZLKJLUDKSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cccnc1 ZINC001571171107 952791638 /nfs/dbraw/zinc/79/16/38/952791638.db2.gz OXFYWERXKGPCGW-ZLKJLUDKSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571171274 952792933 /nfs/dbraw/zinc/79/29/33/952792933.db2.gz QOWSLRJEGCYTAE-CMPLNLGQSA-N -1 1 381.400 -0.001 20 0 GBADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571171275 952792713 /nfs/dbraw/zinc/79/27/13/952792713.db2.gz QOWSLRJEGCYTAE-JQWIXIFHSA-N -1 1 381.400 -0.001 20 0 GBADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571171276 952792747 /nfs/dbraw/zinc/79/27/47/952792747.db2.gz QOWSLRJEGCYTAE-PWSUYJOCSA-N -1 1 381.400 -0.001 20 0 GBADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571171277 952792947 /nfs/dbraw/zinc/79/29/47/952792947.db2.gz QOWSLRJEGCYTAE-ZYHUDNBSSA-N -1 1 381.400 -0.001 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cn1ccccc1=O ZINC001571171282 952792549 /nfs/dbraw/zinc/79/25/49/952792549.db2.gz QQLBGACBPIWAHB-NEPJUHHUSA-N -1 1 381.400 -0.658 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cn1ccccc1=O ZINC001571171283 952792920 /nfs/dbraw/zinc/79/29/20/952792920.db2.gz QQLBGACBPIWAHB-NWDGAFQWSA-N -1 1 381.400 -0.658 20 0 GBADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cn1ccccc1=O ZINC001571171284 952793155 /nfs/dbraw/zinc/79/31/55/952793155.db2.gz QQLBGACBPIWAHB-RYUDHWBXSA-N -1 1 381.400 -0.658 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cn1ccccc1=O ZINC001571171285 952793181 /nfs/dbraw/zinc/79/31/81/952793181.db2.gz QQLBGACBPIWAHB-VXGBXAGGSA-N -1 1 381.400 -0.658 20 0 GBADMM CCc1cccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)n1 ZINC001571171314 952792833 /nfs/dbraw/zinc/79/28/33/952792833.db2.gz QVFZTSVUQODDAU-ZIAGYGMSSA-N -1 1 381.400 -0.406 20 0 GBADMM CCc1cccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)n1 ZINC001571171314 952792828 /nfs/dbraw/zinc/79/28/28/952792828.db2.gz QVFZTSVUQODDAU-ZIAGYGMSSA-N -1 1 381.400 -0.406 20 0 GBADMM O=C(Cc1nnc[nH]1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571171506 952793718 /nfs/dbraw/zinc/79/37/18/952793718.db2.gz AVAWWTVYQOPCSG-UHFFFAOYSA-N -1 1 380.825 -0.014 20 0 GBADMM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)o1 ZINC001571171575 952794472 /nfs/dbraw/zinc/79/44/72/952794472.db2.gz CPMKOMCRHZWHFS-IUCAKERBSA-N -1 1 381.356 -0.548 20 0 GBADMM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)o1 ZINC001571171575 952794467 /nfs/dbraw/zinc/79/44/67/952794467.db2.gz CPMKOMCRHZWHFS-IUCAKERBSA-N -1 1 381.356 -0.548 20 0 GBADMM NC(=O)CCN(Cc1ccccc1)C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001571171633 952794410 /nfs/dbraw/zinc/79/44/10/952794410.db2.gz ULLDMGUXCANJGL-UHFFFAOYSA-N -1 1 381.396 -0.067 20 0 GBADMM CN(C(=O)Cn1ccccc1=O)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571171677 952796390 /nfs/dbraw/zinc/79/63/90/952796390.db2.gz WCHGDMDQJJQGAV-GFCCVEGCSA-N -1 1 381.400 -0.444 20 0 GBADMM CN(C(=O)Cn1ccccc1=O)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571171677 952796387 /nfs/dbraw/zinc/79/63/87/952796387.db2.gz WCHGDMDQJJQGAV-GFCCVEGCSA-N -1 1 381.400 -0.444 20 0 GBADMM CN(C(=O)Cn1ccccc1=O)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571171678 952796330 /nfs/dbraw/zinc/79/63/30/952796330.db2.gz WCHGDMDQJJQGAV-LBPRGKRZSA-N -1 1 381.400 -0.444 20 0 GBADMM CN(C(=O)Cn1ccccc1=O)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571171678 952796328 /nfs/dbraw/zinc/79/63/28/952796328.db2.gz WCHGDMDQJJQGAV-LBPRGKRZSA-N -1 1 381.400 -0.444 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1CC(=O)c2ccccc21 ZINC001571171745 952796914 /nfs/dbraw/zinc/79/69/14/952796914.db2.gz FTVBQRDDSULIAO-GFCCVEGCSA-N -1 1 381.352 -0.037 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1CC(=O)c2ccccc21 ZINC001571171746 952797036 /nfs/dbraw/zinc/79/70/36/952797036.db2.gz FTVBQRDDSULIAO-LBPRGKRZSA-N -1 1 381.352 -0.037 20 0 GBADMM CCc1ccnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)c1 ZINC001571171826 952798280 /nfs/dbraw/zinc/79/82/80/952798280.db2.gz XNNBDKNMUOZSKY-ZIAGYGMSSA-N -1 1 381.400 -0.406 20 0 GBADMM CCc1ccnc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)c1 ZINC001571171826 952798274 /nfs/dbraw/zinc/79/82/74/952798274.db2.gz XNNBDKNMUOZSKY-ZIAGYGMSSA-N -1 1 381.400 -0.406 20 0 GBADMM NC(=O)C1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CC1 ZINC001571171875 952798023 /nfs/dbraw/zinc/79/80/23/952798023.db2.gz YRFCLSVTJZVVGH-UHFFFAOYSA-N -1 1 381.396 -0.095 20 0 GBADMM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001571171911 952799431 /nfs/dbraw/zinc/79/94/31/952799431.db2.gz ZLBHFIQXGNMOLK-VIFPVBQESA-N -1 1 381.397 -0.886 20 0 GBADMM CN(CCS(N)(=O)=O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001571171936 952799546 /nfs/dbraw/zinc/79/95/46/952799546.db2.gz IVGSUWVWBHQIMK-UHFFFAOYSA-N -1 1 380.839 -0.571 20 0 GBADMM CN(CCS(N)(=O)=O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001571171936 952799543 /nfs/dbraw/zinc/79/95/43/952799543.db2.gz IVGSUWVWBHQIMK-UHFFFAOYSA-N -1 1 380.839 -0.571 20 0 GBADMM C[C@@H](C(=O)NCc1c(Br)cnn1C)n1cnc(-c2nn[n-]n2)n1 ZINC001571172060 952801206 /nfs/dbraw/zinc/80/12/06/952801206.db2.gz LIUSALLVFWNSJV-LURJTMIESA-N -1 1 381.198 -0.168 20 0 GBADMM C[C@H](C(=O)NCc1c(Br)cnn1C)n1cnc(-c2nn[n-]n2)n1 ZINC001571172061 952801687 /nfs/dbraw/zinc/80/16/87/952801687.db2.gz LIUSALLVFWNSJV-ZCFIWIBFSA-N -1 1 381.198 -0.168 20 0 GBADMM O=C(Cn1cncn1)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571172077 952801929 /nfs/dbraw/zinc/80/19/29/952801929.db2.gz LQRCSQKVZBEZGO-ZETCQYMHSA-N -1 1 380.825 -0.037 20 0 GBADMM O=c1[nH]c(=O)n(CCNS(=O)(=O)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC001571172304 952805684 /nfs/dbraw/zinc/80/56/84/952805684.db2.gz SJCSAZMHBWYGMA-UHFFFAOYSA-N -1 1 381.349 -0.753 20 0 GBADMM Cn1cnc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1Br ZINC001571172832 952810288 /nfs/dbraw/zinc/81/02/88/952810288.db2.gz YQMYLFMJWRKSCT-UHFFFAOYSA-N -1 1 381.198 -0.687 20 0 GBADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2F)c(=O)[nH]c1=O ZINC001571172843 952809685 /nfs/dbraw/zinc/80/96/85/952809685.db2.gz ZHKBHWQODKRJAA-UHFFFAOYSA-N -1 1 381.349 -0.716 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)Cn3ccccc3=O)C2)n1 ZINC001571174550 952809791 /nfs/dbraw/zinc/80/97/91/952809791.db2.gz ACJLPHKCWHXFQW-HAQNSBGRSA-N -1 1 381.400 -0.114 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)Cn3ccccc3=O)C2)n1 ZINC001571174550 952809783 /nfs/dbraw/zinc/80/97/83/952809783.db2.gz ACJLPHKCWHXFQW-HAQNSBGRSA-N -1 1 381.400 -0.114 20 0 GBADMM Cc1cc(=O)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1C ZINC001571174575 952809702 /nfs/dbraw/zinc/80/97/02/952809702.db2.gz AVYQLBQISMTEAG-LLVKDONJSA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(=O)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1C ZINC001571174575 952809699 /nfs/dbraw/zinc/80/96/99/952809699.db2.gz AVYQLBQISMTEAG-LLVKDONJSA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(=O)c(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1C ZINC001571174576 952809202 /nfs/dbraw/zinc/80/92/02/952809202.db2.gz AVYQLBQISMTEAG-NSHDSACASA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(=O)c(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1C ZINC001571174576 952809197 /nfs/dbraw/zinc/80/91/97/952809197.db2.gz AVYQLBQISMTEAG-NSHDSACASA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571174577 952809526 /nfs/dbraw/zinc/80/95/26/952809526.db2.gz AWTRKDFZJVJNGM-CYBMUJFWSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571174577 952809519 /nfs/dbraw/zinc/80/95/19/952809519.db2.gz AWTRKDFZJVJNGM-CYBMUJFWSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571174578 952812097 /nfs/dbraw/zinc/81/20/97/952812097.db2.gz AWTRKDFZJVJNGM-ZDUSSCGKSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571174578 952812091 /nfs/dbraw/zinc/81/20/91/952812091.db2.gz AWTRKDFZJVJNGM-ZDUSSCGKSA-N -1 1 381.400 -0.005 20 0 GBADMM COc1cccnc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571174607 952811626 /nfs/dbraw/zinc/81/16/26/952811626.db2.gz BTOFFFUYZOAVGC-NSHDSACASA-N -1 1 381.400 -0.002 20 0 GBADMM COc1cccnc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571174607 952811620 /nfs/dbraw/zinc/81/16/20/952811620.db2.gz BTOFFFUYZOAVGC-NSHDSACASA-N -1 1 381.400 -0.002 20 0 GBADMM COc1ccc(CC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC001571174625 952811785 /nfs/dbraw/zinc/81/17/85/952811785.db2.gz CFFPVKMOZAQOMU-UHFFFAOYSA-N -1 1 381.400 -0.048 20 0 GBADMM COc1ccc(CC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC001571174625 952811778 /nfs/dbraw/zinc/81/17/78/952811778.db2.gz CFFPVKMOZAQOMU-UHFFFAOYSA-N -1 1 381.400 -0.048 20 0 GBADMM COc1cccnc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571174645 952811855 /nfs/dbraw/zinc/81/18/55/952811855.db2.gz DDIRIUIIZLQWON-LLVKDONJSA-N -1 1 381.400 -0.002 20 0 GBADMM COc1cccnc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571174645 952811849 /nfs/dbraw/zinc/81/18/49/952811849.db2.gz DDIRIUIIZLQWON-LLVKDONJSA-N -1 1 381.400 -0.002 20 0 GBADMM COc1cccnc1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571174646 952811570 /nfs/dbraw/zinc/81/15/70/952811570.db2.gz DDIRIUIIZLQWON-NSHDSACASA-N -1 1 381.400 -0.002 20 0 GBADMM COc1cccnc1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571174646 952811564 /nfs/dbraw/zinc/81/15/64/952811564.db2.gz DDIRIUIIZLQWON-NSHDSACASA-N -1 1 381.400 -0.002 20 0 GBADMM Cc1cccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)n1 ZINC001571174647 952810848 /nfs/dbraw/zinc/81/08/48/952810848.db2.gz DEWZQACLXCOCSF-GFCCVEGCSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)n1 ZINC001571174648 952810823 /nfs/dbraw/zinc/81/08/23/952810823.db2.gz DEWZQACLXCOCSF-LBPRGKRZSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)cn1 ZINC001571174661 952812827 /nfs/dbraw/zinc/81/28/27/952812827.db2.gz DNBJJZBDTYTTEM-CHWSQXEVSA-N -1 1 381.400 -0.731 20 0 GBADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)cn1 ZINC001571174661 952812824 /nfs/dbraw/zinc/81/28/24/952812824.db2.gz DNBJJZBDTYTTEM-CHWSQXEVSA-N -1 1 381.400 -0.731 20 0 GBADMM Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c[nH]1 ZINC001571174665 952812591 /nfs/dbraw/zinc/81/25/91/952812591.db2.gz DTFHJNDPHPBKEH-NOZJJQNGSA-N -1 1 381.400 -0.092 20 0 GBADMM Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c[nH]1 ZINC001571174665 952812588 /nfs/dbraw/zinc/81/25/88/952812588.db2.gz DTFHJNDPHPBKEH-NOZJJQNGSA-N -1 1 381.400 -0.092 20 0 GBADMM COc1ccncc1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174668 952813342 /nfs/dbraw/zinc/81/33/42/952813342.db2.gz DWBISIBRBKCUPT-GFCCVEGCSA-N -1 1 381.400 -0.002 20 0 GBADMM COc1ccncc1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174669 952812629 /nfs/dbraw/zinc/81/26/29/952812629.db2.gz DWBISIBRBKCUPT-LBPRGKRZSA-N -1 1 381.400 -0.002 20 0 GBADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)nc1C ZINC001571174722 952812716 /nfs/dbraw/zinc/81/27/16/952812716.db2.gz GFFIBXWFSORBHN-ZIAGYGMSSA-N -1 1 381.400 -0.352 20 0 GBADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)nc1C ZINC001571174722 952812710 /nfs/dbraw/zinc/81/27/10/952812710.db2.gz GFFIBXWFSORBHN-ZIAGYGMSSA-N -1 1 381.400 -0.352 20 0 GBADMM COc1ccncc1CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174738 952814442 /nfs/dbraw/zinc/81/44/42/952814442.db2.gz GTJRHEOVZWKVSS-LBPRGKRZSA-N -1 1 381.400 -0.262 20 0 GBADMM Cc1cc(=O)c(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1C ZINC001571174769 952813983 /nfs/dbraw/zinc/81/39/83/952813983.db2.gz HTEGQHNFBDWXFM-LLVKDONJSA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(=O)c(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1C ZINC001571174769 952813978 /nfs/dbraw/zinc/81/39/78/952813978.db2.gz HTEGQHNFBDWXFM-LLVKDONJSA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)Cn3ccccc3=O)CC2)n1 ZINC001571174770 952814033 /nfs/dbraw/zinc/81/40/33/952814033.db2.gz HVGMDGSSVRGRGB-UHFFFAOYSA-N -1 1 381.400 -0.524 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)Cn3ccccc3=O)CC2)n1 ZINC001571174770 952814027 /nfs/dbraw/zinc/81/40/27/952814027.db2.gz HVGMDGSSVRGRGB-UHFFFAOYSA-N -1 1 381.400 -0.524 20 0 GBADMM COc1ccc(CC(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571174791 952814103 /nfs/dbraw/zinc/81/41/03/952814103.db2.gz IFZXVCDGCUDUKS-GFCCVEGCSA-N -1 1 381.400 -0.002 20 0 GBADMM COc1ccc(CC(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001571174791 952814096 /nfs/dbraw/zinc/81/40/96/952814096.db2.gz IFZXVCDGCUDUKS-GFCCVEGCSA-N -1 1 381.400 -0.002 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 ZINC001571174797 952814739 /nfs/dbraw/zinc/81/47/39/952814739.db2.gz IKFYCGSBOGZKSI-GFCCVEGCSA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 ZINC001571174797 952814734 /nfs/dbraw/zinc/81/47/34/952814734.db2.gz IKFYCGSBOGZKSI-GFCCVEGCSA-N -1 1 381.400 -0.010 20 0 GBADMM CO[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cccnc1 ZINC001571174798 952814794 /nfs/dbraw/zinc/81/47/94/952814794.db2.gz ILLHKDLRMPERGQ-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM CO[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cccnc1 ZINC001571174798 952814784 /nfs/dbraw/zinc/81/47/84/952814784.db2.gz ILLHKDLRMPERGQ-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](CNC(=O)c3ccccn3)C2)n1 ZINC001571174804 952814238 /nfs/dbraw/zinc/81/42/38/952814238.db2.gz IOJJKRUTYQTXKJ-GFCCVEGCSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](CNC(=O)c3ccccn3)C2)n1 ZINC001571174804 952814234 /nfs/dbraw/zinc/81/42/34/952814234.db2.gz IOJJKRUTYQTXKJ-GFCCVEGCSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](CNC(=O)c3ccccn3)C2)n1 ZINC001571174805 952814380 /nfs/dbraw/zinc/81/43/80/952814380.db2.gz IOJJKRUTYQTXKJ-LBPRGKRZSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](CNC(=O)c3ccccn3)C2)n1 ZINC001571174805 952814375 /nfs/dbraw/zinc/81/43/75/952814375.db2.gz IOJJKRUTYQTXKJ-LBPRGKRZSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571174829 952815287 /nfs/dbraw/zinc/81/52/87/952815287.db2.gz JOSGDBNWVQBZQH-LBPRGKRZSA-N -1 1 381.400 -0.327 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571174829 952815283 /nfs/dbraw/zinc/81/52/83/952815283.db2.gz JOSGDBNWVQBZQH-LBPRGKRZSA-N -1 1 381.400 -0.327 20 0 GBADMM C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571174867 952815864 /nfs/dbraw/zinc/81/58/64/952815864.db2.gz KZSFCXGIPAWQHZ-ZWNOBZJWSA-N -1 1 381.400 -0.072 20 0 GBADMM C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571174867 952815860 /nfs/dbraw/zinc/81/58/60/952815860.db2.gz KZSFCXGIPAWQHZ-ZWNOBZJWSA-N -1 1 381.400 -0.072 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1cccc(C)n1 ZINC001571174905 952816718 /nfs/dbraw/zinc/81/67/18/952816718.db2.gz MIMRHQHKBBEYDT-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1cccc(C)n1 ZINC001571174905 952816709 /nfs/dbraw/zinc/81/67/09/952816709.db2.gz MIMRHQHKBBEYDT-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)Cn1ccccc1=O ZINC001571174917 952817168 /nfs/dbraw/zinc/81/71/68/952817168.db2.gz MTRLYZZXPQZDCC-DGCLKSJQSA-N -1 1 381.400 -0.541 20 0 GBADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)Cn1ccccc1=O ZINC001571174917 952817162 /nfs/dbraw/zinc/81/71/62/952817162.db2.gz MTRLYZZXPQZDCC-DGCLKSJQSA-N -1 1 381.400 -0.541 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001571174922 952817419 /nfs/dbraw/zinc/81/74/19/952817419.db2.gz MWANHWZTVALMES-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001571174922 952817413 /nfs/dbraw/zinc/81/74/13/952817413.db2.gz MWANHWZTVALMES-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001571174923 952816588 /nfs/dbraw/zinc/81/65/88/952816588.db2.gz MWANHWZTVALMES-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001571174923 952816580 /nfs/dbraw/zinc/81/65/80/952816580.db2.gz MWANHWZTVALMES-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571174925 952816840 /nfs/dbraw/zinc/81/68/40/952816840.db2.gz MYUTXBIVDVHHLQ-GFCCVEGCSA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571174925 952816832 /nfs/dbraw/zinc/81/68/32/952816832.db2.gz MYUTXBIVDVHHLQ-GFCCVEGCSA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571174926 952817093 /nfs/dbraw/zinc/81/70/93/952817093.db2.gz MYUTXBIVDVHHLQ-LBPRGKRZSA-N -1 1 381.400 -0.010 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571174926 952817087 /nfs/dbraw/zinc/81/70/87/952817087.db2.gz MYUTXBIVDVHHLQ-LBPRGKRZSA-N -1 1 381.400 -0.010 20 0 GBADMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ccnc(C)c1 ZINC001571174929 952816918 /nfs/dbraw/zinc/81/69/18/952816918.db2.gz NBADHVUWGVROGZ-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM CO[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ccnc(C)c1 ZINC001571174929 952816915 /nfs/dbraw/zinc/81/69/15/952816915.db2.gz NBADHVUWGVROGZ-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM Cc1cc(=O)c(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1C ZINC001571174949 952816548 /nfs/dbraw/zinc/81/65/48/952816548.db2.gz NVBXMDJLHDAWOG-LLVKDONJSA-N -1 1 381.400 -0.327 20 0 GBADMM Cc1cc(=O)c(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1C ZINC001571174949 952816544 /nfs/dbraw/zinc/81/65/44/952816544.db2.gz NVBXMDJLHDAWOG-LLVKDONJSA-N -1 1 381.400 -0.327 20 0 GBADMM CN(C(=O)c1cccc(=O)n1C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571175060 952816932 /nfs/dbraw/zinc/81/69/32/952816932.db2.gz OKXFBFMJFHHFDF-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM CN(C(=O)c1cccc(=O)n1C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571175060 952816927 /nfs/dbraw/zinc/81/69/27/952816927.db2.gz OKXFBFMJFHHFDF-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM CN(C(=O)c1cccc(=O)n1C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571175061 952816816 /nfs/dbraw/zinc/81/68/16/952816816.db2.gz OKXFBFMJFHHFDF-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM CN(C(=O)c1cccc(=O)n1C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571175061 952816810 /nfs/dbraw/zinc/81/68/10/952816810.db2.gz OKXFBFMJFHHFDF-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cccn(C)c2=O)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571175071 952816537 /nfs/dbraw/zinc/81/65/37/952816537.db2.gz OQKGJMVNPRLCST-PWSUYJOCSA-N -1 1 381.400 -0.247 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cccn(C)c2=O)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571175071 952816534 /nfs/dbraw/zinc/81/65/34/952816534.db2.gz OQKGJMVNPRLCST-PWSUYJOCSA-N -1 1 381.400 -0.247 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571175078 952818126 /nfs/dbraw/zinc/81/81/26/952818126.db2.gz OWUPUVXXRPUXMZ-CYBMUJFWSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571175078 952818121 /nfs/dbraw/zinc/81/81/21/952818121.db2.gz OWUPUVXXRPUXMZ-CYBMUJFWSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571175079 952818160 /nfs/dbraw/zinc/81/81/60/952818160.db2.gz OWUPUVXXRPUXMZ-ZDUSSCGKSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571175079 952818154 /nfs/dbraw/zinc/81/81/54/952818154.db2.gz OWUPUVXXRPUXMZ-ZDUSSCGKSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(=O)c(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571175096 952818471 /nfs/dbraw/zinc/81/84/71/952818471.db2.gz PFNAWYPBQLDRAG-XYPYZODXSA-N -1 1 381.400 -0.304 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)ccn1 ZINC001571175126 952818429 /nfs/dbraw/zinc/81/84/29/952818429.db2.gz QDDXYIINSUVHPK-CHWSQXEVSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)ccn1 ZINC001571175127 952818204 /nfs/dbraw/zinc/81/82/04/952818204.db2.gz QDDXYIINSUVHPK-OLZOCXBDSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)ccn1 ZINC001571175128 952817578 /nfs/dbraw/zinc/81/75/78/952817578.db2.gz QDDXYIINSUVHPK-QWHCGFSZSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)ccn1 ZINC001571175129 952817728 /nfs/dbraw/zinc/81/77/28/952817728.db2.gz QDDXYIINSUVHPK-STQMWFEESA-N -1 1 381.400 -0.270 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccncc1C ZINC001571175252 952817867 /nfs/dbraw/zinc/81/78/67/952817867.db2.gz QYKSARKKDVDDEQ-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1ccncc1C ZINC001571175252 952817862 /nfs/dbraw/zinc/81/78/62/952817862.db2.gz QYKSARKKDVDDEQ-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)Cc1cccnc1 ZINC001571175280 952818891 /nfs/dbraw/zinc/81/88/91/952818891.db2.gz ROIYTWIPQUSLMJ-CHWSQXEVSA-N -1 1 381.400 -0.386 20 0 GBADMM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)Cc1cccnc1 ZINC001571175280 952818887 /nfs/dbraw/zinc/81/88/87/952818887.db2.gz ROIYTWIPQUSLMJ-CHWSQXEVSA-N -1 1 381.400 -0.386 20 0 GBADMM O=C(Cc1cccnc1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571175282 952819280 /nfs/dbraw/zinc/81/92/80/952819280.db2.gz AFLSHKNEBKPDDE-GXTWGEPZSA-N -1 1 381.400 -0.650 20 0 GBADMM O=C(Cc1cccnc1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571175282 952819276 /nfs/dbraw/zinc/81/92/76/952819276.db2.gz AFLSHKNEBKPDDE-GXTWGEPZSA-N -1 1 381.400 -0.650 20 0 GBADMM O=C(Cc1cccnc1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571175283 952819735 /nfs/dbraw/zinc/81/97/35/952819735.db2.gz AFLSHKNEBKPDDE-JSGCOSHPSA-N -1 1 381.400 -0.650 20 0 GBADMM O=C(Cc1cccnc1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571175283 952819731 /nfs/dbraw/zinc/81/97/31/952819731.db2.gz AFLSHKNEBKPDDE-JSGCOSHPSA-N -1 1 381.400 -0.650 20 0 GBADMM O=C(Cc1cccnc1)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571175285 952819982 /nfs/dbraw/zinc/81/99/82/952819982.db2.gz AFLSHKNEBKPDDE-OCCSQVGLSA-N -1 1 381.400 -0.650 20 0 GBADMM O=C(Cc1cccnc1)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571175285 952819975 /nfs/dbraw/zinc/81/99/75/952819975.db2.gz AFLSHKNEBKPDDE-OCCSQVGLSA-N -1 1 381.400 -0.650 20 0 GBADMM O=C(Cc1cccnc1)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571175287 952818923 /nfs/dbraw/zinc/81/89/23/952818923.db2.gz AFLSHKNEBKPDDE-TZMCWYRMSA-N -1 1 381.400 -0.650 20 0 GBADMM O=C(Cc1cccnc1)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571175287 952818918 /nfs/dbraw/zinc/81/89/18/952818918.db2.gz AFLSHKNEBKPDDE-TZMCWYRMSA-N -1 1 381.400 -0.650 20 0 GBADMM Cn1cccc(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1=O ZINC001571175302 952819504 /nfs/dbraw/zinc/81/95/04/952819504.db2.gz AKBNPSYJZHDUIA-UHFFFAOYSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1=O ZINC001571175302 952819499 /nfs/dbraw/zinc/81/94/99/952819499.db2.gz AKBNPSYJZHDUIA-UHFFFAOYSA-N -1 1 381.400 -0.246 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)n2C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571175307 952818907 /nfs/dbraw/zinc/81/89/07/952818907.db2.gz RZXCLJRWUKWIOR-MNOVXSKESA-N -1 1 381.400 -0.247 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)n2C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571175307 952818903 /nfs/dbraw/zinc/81/89/03/952818903.db2.gz RZXCLJRWUKWIOR-MNOVXSKESA-N -1 1 381.400 -0.247 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1cncc(C)c1 ZINC001571175342 952821095 /nfs/dbraw/zinc/82/10/95/952821095.db2.gz UCAYCCBMYGOSRV-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1cncc(C)c1 ZINC001571175342 952821088 /nfs/dbraw/zinc/82/10/88/952821088.db2.gz UCAYCCBMYGOSRV-ZIAGYGMSSA-N -1 1 381.400 -0.006 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571175343 952820872 /nfs/dbraw/zinc/82/08/72/952820872.db2.gz AYHPJIJDJHAGOA-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571175343 952820866 /nfs/dbraw/zinc/82/08/66/952820866.db2.gz AYHPJIJDJHAGOA-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571175345 952820705 /nfs/dbraw/zinc/82/07/05/952820705.db2.gz AYHPJIJDJHAGOA-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571175345 952820700 /nfs/dbraw/zinc/82/07/00/952820700.db2.gz AYHPJIJDJHAGOA-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001571175363 952821364 /nfs/dbraw/zinc/82/13/64/952821364.db2.gz UHEQLHNCMMPPCE-GFCCVEGCSA-N -1 1 381.400 -0.444 20 0 GBADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001571175363 952821358 /nfs/dbraw/zinc/82/13/58/952821358.db2.gz UHEQLHNCMMPPCE-GFCCVEGCSA-N -1 1 381.400 -0.444 20 0 GBADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001571175365 952820781 /nfs/dbraw/zinc/82/07/81/952820781.db2.gz UHEQLHNCMMPPCE-LBPRGKRZSA-N -1 1 381.400 -0.444 20 0 GBADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001571175365 952820772 /nfs/dbraw/zinc/82/07/72/952820772.db2.gz UHEQLHNCMMPPCE-LBPRGKRZSA-N -1 1 381.400 -0.444 20 0 GBADMM Cn1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1=O ZINC001571175380 952820430 /nfs/dbraw/zinc/82/04/30/952820430.db2.gz BQDPEHIDQMWHBF-UMSPYCQHSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1=O ZINC001571175380 952820427 /nfs/dbraw/zinc/82/04/27/952820427.db2.gz BQDPEHIDQMWHBF-UMSPYCQHSA-N -1 1 381.400 -0.024 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccc(=O)n(C)c1 ZINC001571175387 952821310 /nfs/dbraw/zinc/82/13/10/952821310.db2.gz ULSVDTYWLPMKCY-ZWNOBZJWSA-N -1 1 381.400 -0.390 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1ccc(=O)n(C)c1 ZINC001571175387 952821304 /nfs/dbraw/zinc/82/13/04/952821304.db2.gz ULSVDTYWLPMKCY-ZWNOBZJWSA-N -1 1 381.400 -0.390 20 0 GBADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cn(C)ccc1=O ZINC001571175398 952821134 /nfs/dbraw/zinc/82/11/34/952821134.db2.gz UPRDJZFADANZGH-ZYHUDNBSSA-N -1 1 381.400 -0.390 20 0 GBADMM COc1ccc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571175409 952820611 /nfs/dbraw/zinc/82/06/11/952820611.db2.gz UQGRFHGNSPDUTN-GFCCVEGCSA-N -1 1 381.400 -0.262 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)ccc1=O ZINC001571175410 952820569 /nfs/dbraw/zinc/82/05/69/952820569.db2.gz CALOIOHIJBSNBN-GFCCVEGCSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ccc1=O ZINC001571175410 952820562 /nfs/dbraw/zinc/82/05/62/952820562.db2.gz CALOIOHIJBSNBN-GFCCVEGCSA-N -1 1 381.400 -0.246 20 0 GBADMM COc1ccc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571175411 952821178 /nfs/dbraw/zinc/82/11/78/952821178.db2.gz UQGRFHGNSPDUTN-LBPRGKRZSA-N -1 1 381.400 -0.262 20 0 GBADMM Cn1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)ccc1=O ZINC001571175412 952821292 /nfs/dbraw/zinc/82/12/92/952821292.db2.gz CALOIOHIJBSNBN-LBPRGKRZSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ccc1=O ZINC001571175412 952821287 /nfs/dbraw/zinc/82/12/87/952821287.db2.gz CALOIOHIJBSNBN-LBPRGKRZSA-N -1 1 381.400 -0.246 20 0 GBADMM O=C(Cn1ccccc1=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571175424 952822250 /nfs/dbraw/zinc/82/22/50/952822250.db2.gz CILPGVUXIYMZEE-GFCCVEGCSA-N -1 1 381.400 -0.657 20 0 GBADMM O=C(Cn1ccccc1=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571175425 952822039 /nfs/dbraw/zinc/82/20/39/952822039.db2.gz CILPGVUXIYMZEE-LBPRGKRZSA-N -1 1 381.400 -0.657 20 0 GBADMM Cn1ccc(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1=O ZINC001571175431 952822516 /nfs/dbraw/zinc/82/25/16/952822516.db2.gz CKXJPITYESQTIK-UHFFFAOYSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1=O ZINC001571175431 952822513 /nfs/dbraw/zinc/82/25/13/952822513.db2.gz CKXJPITYESQTIK-UHFFFAOYSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1=O ZINC001571175444 952822400 /nfs/dbraw/zinc/82/24/00/952822400.db2.gz DBXFOJIAWYAOQM-KRWDZBQOSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1=O ZINC001571175444 952822398 /nfs/dbraw/zinc/82/23/98/952822398.db2.gz DBXFOJIAWYAOQM-KRWDZBQOSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1=O ZINC001571175445 952822241 /nfs/dbraw/zinc/82/22/41/952822241.db2.gz DBXFOJIAWYAOQM-QGZVFWFLSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1=O ZINC001571175445 952822237 /nfs/dbraw/zinc/82/22/37/952822237.db2.gz DBXFOJIAWYAOQM-QGZVFWFLSA-N -1 1 381.400 -0.246 20 0 GBADMM CN(C(=O)c1cccn(C)c1=O)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571175550 952821797 /nfs/dbraw/zinc/82/17/97/952821797.db2.gz UTIRUVOWIKRVIT-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM CN(C(=O)c1cccn(C)c1=O)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571175550 952821789 /nfs/dbraw/zinc/82/17/89/952821789.db2.gz UTIRUVOWIKRVIT-LLVKDONJSA-N -1 1 381.400 -0.294 20 0 GBADMM CN(C(=O)c1cccn(C)c1=O)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571175551 952822007 /nfs/dbraw/zinc/82/20/07/952822007.db2.gz UTIRUVOWIKRVIT-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM CN(C(=O)c1cccn(C)c1=O)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571175551 952822000 /nfs/dbraw/zinc/82/20/00/952822000.db2.gz UTIRUVOWIKRVIT-NSHDSACASA-N -1 1 381.400 -0.294 20 0 GBADMM Cc1cc(C)nc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)c1 ZINC001571175574 952822056 /nfs/dbraw/zinc/82/20/56/952822056.db2.gz VKQQTEUEUWKDJW-ZIAGYGMSSA-N -1 1 381.400 -0.352 20 0 GBADMM Cc1cc(C)nc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)c1 ZINC001571175574 952822053 /nfs/dbraw/zinc/82/20/53/952822053.db2.gz VKQQTEUEUWKDJW-ZIAGYGMSSA-N -1 1 381.400 -0.352 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2CNC(=O)c2cccnc2)n1 ZINC001571175583 952821684 /nfs/dbraw/zinc/82/16/84/952821684.db2.gz VTXWJVSVCORSHM-CYBMUJFWSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@H]2CNC(=O)c2cccnc2)n1 ZINC001571175583 952821680 /nfs/dbraw/zinc/82/16/80/952821680.db2.gz VTXWJVSVCORSHM-CYBMUJFWSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2CNC(=O)c2cccnc2)n1 ZINC001571175584 952822692 /nfs/dbraw/zinc/82/26/92/952822692.db2.gz VTXWJVSVCORSHM-ZDUSSCGKSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2CNC(=O)c2cccnc2)n1 ZINC001571175584 952822689 /nfs/dbraw/zinc/82/26/89/952822689.db2.gz VTXWJVSVCORSHM-ZDUSSCGKSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cc(=O)c(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1C ZINC001571175629 952823523 /nfs/dbraw/zinc/82/35/23/952823523.db2.gz XQTZOKSKFCRFGY-XYPYZODXSA-N -1 1 381.400 -0.541 20 0 GBADMM Cc1cc(=O)c(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571175630 952823500 /nfs/dbraw/zinc/82/35/00/952823500.db2.gz XRDVETBJWGISSV-LLVKDONJSA-N -1 1 381.400 -0.208 20 0 GBADMM Cc1cc(=O)c(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571175631 952823549 /nfs/dbraw/zinc/82/35/49/952823549.db2.gz XRDVETBJWGISSV-NSHDSACASA-N -1 1 381.400 -0.208 20 0 GBADMM Cn1cccc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1=O ZINC001571175657 952823937 /nfs/dbraw/zinc/82/39/37/952823937.db2.gz DFTPYUANQMLPMG-LLVKDONJSA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1cccc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1=O ZINC001571175657 952823930 /nfs/dbraw/zinc/82/39/30/952823930.db2.gz DFTPYUANQMLPMG-LLVKDONJSA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1cccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1=O ZINC001571175658 952824300 /nfs/dbraw/zinc/82/43/00/952824300.db2.gz DFTPYUANQMLPMG-NSHDSACASA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1cccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1=O ZINC001571175658 952824296 /nfs/dbraw/zinc/82/42/96/952824296.db2.gz DFTPYUANQMLPMG-NSHDSACASA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)ccc1=O ZINC001571175681 952825459 /nfs/dbraw/zinc/82/54/59/952825459.db2.gz FACZNTIDSVTYBO-LLVKDONJSA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)ccc1=O ZINC001571175681 952825457 /nfs/dbraw/zinc/82/54/57/952825457.db2.gz FACZNTIDSVTYBO-LLVKDONJSA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)ccc1=O ZINC001571175682 952825388 /nfs/dbraw/zinc/82/53/88/952825388.db2.gz FACZNTIDSVTYBO-NSHDSACASA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)ccc1=O ZINC001571175682 952825385 /nfs/dbraw/zinc/82/53/85/952825385.db2.gz FACZNTIDSVTYBO-NSHDSACASA-N -1 1 381.400 -0.070 20 0 GBADMM Cc1ccn(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(=O)c1 ZINC001571175683 952825657 /nfs/dbraw/zinc/82/56/57/952825657.db2.gz FBIKWPKLSOQGPF-GFCCVEGCSA-N -1 1 381.400 -0.160 20 0 GBADMM Cc1ccn(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(=O)c1 ZINC001571175683 952825652 /nfs/dbraw/zinc/82/56/52/952825652.db2.gz FBIKWPKLSOQGPF-GFCCVEGCSA-N -1 1 381.400 -0.160 20 0 GBADMM Cn1c(=O)cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571175745 952824825 /nfs/dbraw/zinc/82/48/25/952824825.db2.gz GTUYOCNXWOEQIY-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1c(=O)cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571175745 952824820 /nfs/dbraw/zinc/82/48/20/952824820.db2.gz GTUYOCNXWOEQIY-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cc1ccn(CC(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(=O)c1 ZINC001571175747 952824585 /nfs/dbraw/zinc/82/45/85/952824585.db2.gz GUSHLWOKYFUWIG-GFCCVEGCSA-N -1 1 381.400 -0.478 20 0 GBADMM Cc1ccn(CC(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(=O)c1 ZINC001571175747 952824579 /nfs/dbraw/zinc/82/45/79/952824579.db2.gz GUSHLWOKYFUWIG-GFCCVEGCSA-N -1 1 381.400 -0.478 20 0 GBADMM Cc1ccn(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(=O)c1 ZINC001571175750 952824862 /nfs/dbraw/zinc/82/48/62/952824862.db2.gz GUSHLWOKYFUWIG-LBPRGKRZSA-N -1 1 381.400 -0.478 20 0 GBADMM Cc1ccn(CC(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(=O)c1 ZINC001571175750 952824855 /nfs/dbraw/zinc/82/48/55/952824855.db2.gz GUSHLWOKYFUWIG-LBPRGKRZSA-N -1 1 381.400 -0.478 20 0 GBADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571175766 952827159 /nfs/dbraw/zinc/82/71/59/952827159.db2.gz YWCHRQMGPNCRSA-GHMZBOCLSA-N -1 1 381.400 -0.001 20 0 GBADMM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571175768 952827009 /nfs/dbraw/zinc/82/70/09/952827009.db2.gz GXZZRSGZURWXRW-GFCCVEGCSA-N -1 1 381.400 -0.907 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571175783 952826836 /nfs/dbraw/zinc/82/68/36/952826836.db2.gz ZTFPQISRIZRMLU-PWSUYJOCSA-N -1 1 381.400 -0.247 20 0 GBADMM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571175887 952826788 /nfs/dbraw/zinc/82/67/88/952826788.db2.gz GXZZRSGZURWXRW-LBPRGKRZSA-N -1 1 381.400 -0.907 20 0 GBADMM O=C(Cn1ccccc1=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571175901 952826325 /nfs/dbraw/zinc/82/63/25/952826325.db2.gz HJQAIOXVPAUEGQ-LBPRGKRZSA-N -1 1 381.400 -0.079 20 0 GBADMM O=C(Cn1ccccc1=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571175901 952826319 /nfs/dbraw/zinc/82/63/19/952826319.db2.gz HJQAIOXVPAUEGQ-LBPRGKRZSA-N -1 1 381.400 -0.079 20 0 GBADMM Cc1cnccc1CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571175911 952827084 /nfs/dbraw/zinc/82/70/84/952827084.db2.gz HVSMCWLZDJKATD-ZIAGYGMSSA-N -1 1 381.400 -0.731 20 0 GBADMM Cc1cnccc1CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571175911 952827082 /nfs/dbraw/zinc/82/70/82/952827082.db2.gz HVSMCWLZDJKATD-ZIAGYGMSSA-N -1 1 381.400 -0.731 20 0 GBADMM Cc1ccn(CC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(=O)c1 ZINC001571175912 952826628 /nfs/dbraw/zinc/82/66/28/952826628.db2.gz HWDUKSBMBHTBIP-UHFFFAOYSA-N -1 1 381.400 -0.524 20 0 GBADMM Cc1ccn(CC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(=O)c1 ZINC001571175912 952826624 /nfs/dbraw/zinc/82/66/24/952826624.db2.gz HWDUKSBMBHTBIP-UHFFFAOYSA-N -1 1 381.400 -0.524 20 0 GBADMM Cc1cncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)c1 ZINC001571175916 952826112 /nfs/dbraw/zinc/82/61/12/952826112.db2.gz IDYBFNINSYCEON-CHWSQXEVSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)c1 ZINC001571175916 952826106 /nfs/dbraw/zinc/82/61/06/952826106.db2.gz IDYBFNINSYCEON-CHWSQXEVSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)c1 ZINC001571175917 952826563 /nfs/dbraw/zinc/82/65/63/952826563.db2.gz IDYBFNINSYCEON-OLZOCXBDSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)c1 ZINC001571175917 952826559 /nfs/dbraw/zinc/82/65/59/952826559.db2.gz IDYBFNINSYCEON-OLZOCXBDSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cncc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)c1 ZINC001571175918 952826668 /nfs/dbraw/zinc/82/66/68/952826668.db2.gz IDYBFNINSYCEON-QWHCGFSZSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cncc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)c1 ZINC001571175918 952826662 /nfs/dbraw/zinc/82/66/62/952826662.db2.gz IDYBFNINSYCEON-QWHCGFSZSA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cncc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)c1 ZINC001571175919 952826603 /nfs/dbraw/zinc/82/66/03/952826603.db2.gz IDYBFNINSYCEON-STQMWFEESA-N -1 1 381.400 -0.270 20 0 GBADMM Cc1cncc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)c1 ZINC001571175919 952826599 /nfs/dbraw/zinc/82/65/99/952826599.db2.gz IDYBFNINSYCEON-STQMWFEESA-N -1 1 381.400 -0.270 20 0 GBADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cc2c([nH]1)CCC2 ZINC001571175961 952827623 /nfs/dbraw/zinc/82/76/23/952827623.db2.gz JXGABZGYBWJXEZ-ZIAGYGMSSA-N -1 1 381.400 -0.547 20 0 GBADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cc2c([nH]1)CCC2 ZINC001571175961 952827619 /nfs/dbraw/zinc/82/76/19/952827619.db2.gz JXGABZGYBWJXEZ-ZIAGYGMSSA-N -1 1 381.400 -0.547 20 0 GBADMM Cn1ccc(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571175963 952828549 /nfs/dbraw/zinc/82/85/49/952828549.db2.gz KAVDWOUDEMHDJP-UHFFFAOYSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1ccc(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571175963 952828543 /nfs/dbraw/zinc/82/85/43/952828543.db2.gz KAVDWOUDEMHDJP-UHFFFAOYSA-N -1 1 381.400 -0.024 20 0 GBADMM Cc1cncc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2O)c1 ZINC001571175975 952827711 /nfs/dbraw/zinc/82/77/11/952827711.db2.gz KIGFWMQNAQGCSR-KGLIPLIRSA-N -1 1 381.400 -0.352 20 0 GBADMM Cc1cncc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2O)c1 ZINC001571175975 952827704 /nfs/dbraw/zinc/82/77/04/952827704.db2.gz KIGFWMQNAQGCSR-KGLIPLIRSA-N -1 1 381.400 -0.352 20 0 GBADMM Cn1cccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1=O ZINC001571175982 952828489 /nfs/dbraw/zinc/82/84/89/952828489.db2.gz KMKVMOLUOAHTGP-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1=O ZINC001571175982 952828485 /nfs/dbraw/zinc/82/84/85/952828485.db2.gz KMKVMOLUOAHTGP-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1=O ZINC001571176096 952828564 /nfs/dbraw/zinc/82/85/64/952828564.db2.gz KVQBPIYNEBWOEL-LBPRGKRZSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1=O ZINC001571176096 952828561 /nfs/dbraw/zinc/82/85/61/952828561.db2.gz KVQBPIYNEBWOEL-LBPRGKRZSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571176124 952829874 /nfs/dbraw/zinc/82/98/74/952829874.db2.gz LXEHXROLCMNGIT-GFCCVEGCSA-N -1 1 381.400 -0.506 20 0 GBADMM Cn1ccc(=O)c(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571176125 952829356 /nfs/dbraw/zinc/82/93/56/952829356.db2.gz LYKWKGARYIALAT-UHFFFAOYSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1ccc(=O)c(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571176125 952829349 /nfs/dbraw/zinc/82/93/49/952829349.db2.gz LYKWKGARYIALAT-UHFFFAOYSA-N -1 1 381.400 -0.024 20 0 GBADMM Cc1cnc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)c(C)c1 ZINC001571176130 952828984 /nfs/dbraw/zinc/82/89/84/952828984.db2.gz MDBQEGHXNAINQK-OLZOCXBDSA-N -1 1 381.400 -0.352 20 0 GBADMM Cc1cnc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)c(C)c1 ZINC001571176130 952828981 /nfs/dbraw/zinc/82/89/81/952828981.db2.gz MDBQEGHXNAINQK-OLZOCXBDSA-N -1 1 381.400 -0.352 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571176136 952829446 /nfs/dbraw/zinc/82/94/46/952829446.db2.gz MFSAVLNPWVDTNE-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571176136 952829442 /nfs/dbraw/zinc/82/94/42/952829442.db2.gz MFSAVLNPWVDTNE-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cc1cnc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)c(C)c1 ZINC001571176142 952829009 /nfs/dbraw/zinc/82/90/09/952829009.db2.gz MIMGIYGDLARDSI-VXGBXAGGSA-N -1 1 381.400 -0.352 20 0 GBADMM Cc1cnc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)c(C)c1 ZINC001571176142 952829008 /nfs/dbraw/zinc/82/90/08/952829008.db2.gz MIMGIYGDLARDSI-VXGBXAGGSA-N -1 1 381.400 -0.352 20 0 GBADMM Cn1ccc(=O)c(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571176173 952829891 /nfs/dbraw/zinc/82/98/91/952829891.db2.gz NLGHHCNYYOGJAR-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(=O)c(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571176173 952829889 /nfs/dbraw/zinc/82/98/89/952829889.db2.gz NLGHHCNYYOGJAR-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(=O)c(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571176174 952829374 /nfs/dbraw/zinc/82/93/74/952829374.db2.gz NLGHHCNYYOGJAR-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(=O)c(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571176174 952829367 /nfs/dbraw/zinc/82/93/67/952829367.db2.gz NLGHHCNYYOGJAR-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM O=C(CCn1ccccc1=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571176182 952829199 /nfs/dbraw/zinc/82/91/99/952829199.db2.gz NRRBKMBZYNXMPC-LBPRGKRZSA-N -1 1 381.400 -0.079 20 0 GBADMM O=C(CCn1ccccc1=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571176182 952829193 /nfs/dbraw/zinc/82/91/93/952829193.db2.gz NRRBKMBZYNXMPC-LBPRGKRZSA-N -1 1 381.400 -0.079 20 0 GBADMM Cc1cncc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)c1 ZINC001571176186 952828989 /nfs/dbraw/zinc/82/89/89/952828989.db2.gz NUTLRWURLSHDLD-CHWSQXEVSA-N -1 1 381.400 -0.731 20 0 GBADMM Cc1cncc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)c1 ZINC001571176186 952828987 /nfs/dbraw/zinc/82/89/87/952828987.db2.gz NUTLRWURLSHDLD-CHWSQXEVSA-N -1 1 381.400 -0.731 20 0 GBADMM O=C(Cc1ccccc1N1CCCC1=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001571176321 952831142 /nfs/dbraw/zinc/83/11/42/952831142.db2.gz PHTUVKITNAITMK-UHFFFAOYSA-N -1 1 381.400 -0.056 20 0 GBADMM NC(=O)C1CCN(C(=O)Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)CC1 ZINC001571176325 952830302 /nfs/dbraw/zinc/83/03/02/952830302.db2.gz PLUSLLCVBMPLHV-UHFFFAOYSA-N -1 1 381.400 -0.151 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571176329 952830501 /nfs/dbraw/zinc/83/05/01/952830501.db2.gz PRULLGAXLONDQN-KRWDZBQOSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571176330 952830995 /nfs/dbraw/zinc/83/09/95/952830995.db2.gz PRULLGAXLONDQN-QGZVFWFLSA-N -1 1 381.400 -0.246 20 0 GBADMM Cc1ccn(CC(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(=O)c1 ZINC001571176332 952830356 /nfs/dbraw/zinc/83/03/56/952830356.db2.gz PTTLSEZPYXXHRR-HAQNSBGRSA-N -1 1 381.400 -0.114 20 0 GBADMM Cc1ccn(CC(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(=O)c1 ZINC001571176332 952830350 /nfs/dbraw/zinc/83/03/50/952830350.db2.gz PTTLSEZPYXXHRR-HAQNSBGRSA-N -1 1 381.400 -0.114 20 0 GBADMM Cc1ccn(CC(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(=O)c1 ZINC001571176333 952831044 /nfs/dbraw/zinc/83/10/44/952831044.db2.gz PTTLSEZPYXXHRR-TXEJJXNPSA-N -1 1 381.400 -0.114 20 0 GBADMM Cc1ccn(CC(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(=O)c1 ZINC001571176333 952831040 /nfs/dbraw/zinc/83/10/40/952831040.db2.gz PTTLSEZPYXXHRR-TXEJJXNPSA-N -1 1 381.400 -0.114 20 0 GBADMM O=C(N1CCC(O)(c2nn[n-]n2)CC1)C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571176343 952831217 /nfs/dbraw/zinc/83/12/17/952831217.db2.gz PXWZGBVPTHFFFB-UHFFFAOYSA-N -1 1 381.400 -0.078 20 0 GBADMM Cn1cc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)ccc1=O ZINC001571176364 952830664 /nfs/dbraw/zinc/83/06/64/952830664.db2.gz QPJIGEJCNLFQDM-UHFFFAOYSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1cc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)ccc1=O ZINC001571176364 952830661 /nfs/dbraw/zinc/83/06/61/952830661.db2.gz QPJIGEJCNLFQDM-UHFFFAOYSA-N -1 1 381.400 -0.024 20 0 GBADMM O=C(Cn1ccccc1=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571176392 952832058 /nfs/dbraw/zinc/83/20/58/952832058.db2.gz QYURXQPWIGLQLW-LBPRGKRZSA-N -1 1 381.400 -0.396 20 0 GBADMM O=C(Cn1ccccc1=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571176392 952832054 /nfs/dbraw/zinc/83/20/54/952832054.db2.gz QYURXQPWIGLQLW-LBPRGKRZSA-N -1 1 381.400 -0.396 20 0 GBADMM Cn1c(=O)cccc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571176470 952831783 /nfs/dbraw/zinc/83/17/83/952831783.db2.gz RFZMZMCRKHHTKA-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1c(=O)cccc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571176471 952831648 /nfs/dbraw/zinc/83/16/48/952831648.db2.gz RFZMZMCRKHHTKA-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM Cc1cccnc1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571176494 952831666 /nfs/dbraw/zinc/83/16/66/952831666.db2.gz RUXYXTGIMLHZIX-GFCCVEGCSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cccnc1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571176494 952831661 /nfs/dbraw/zinc/83/16/61/952831661.db2.gz RUXYXTGIMLHZIX-GFCCVEGCSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cccnc1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571176495 952832212 /nfs/dbraw/zinc/83/22/12/952832212.db2.gz RUXYXTGIMLHZIX-LBPRGKRZSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cccnc1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571176495 952832210 /nfs/dbraw/zinc/83/22/10/952832210.db2.gz RUXYXTGIMLHZIX-LBPRGKRZSA-N -1 1 381.400 -0.005 20 0 GBADMM Cn1cccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1=O ZINC001571176519 952832284 /nfs/dbraw/zinc/83/22/84/952832284.db2.gz SKLRPCKAUDCIDV-PHIMTYICSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1cccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1=O ZINC001571176519 952832277 /nfs/dbraw/zinc/83/22/77/952832277.db2.gz SKLRPCKAUDCIDV-PHIMTYICSA-N -1 1 381.400 -0.024 20 0 GBADMM O=C(Cn1ccccc1=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571176536 952833775 /nfs/dbraw/zinc/83/37/75/952833775.db2.gz TVHCPSCZLUGHOL-UHFFFAOYSA-N -1 1 381.400 -0.079 20 0 GBADMM O=C(Cn1ccccc1=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571176536 952833771 /nfs/dbraw/zinc/83/37/71/952833771.db2.gz TVHCPSCZLUGHOL-UHFFFAOYSA-N -1 1 381.400 -0.079 20 0 GBADMM Cn1ccc(=O)c(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571176563 952833725 /nfs/dbraw/zinc/83/37/25/952833725.db2.gz UVTPUSIOHHMYFE-LLVKDONJSA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1ccc(=O)c(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571176563 952833720 /nfs/dbraw/zinc/83/37/20/952833720.db2.gz UVTPUSIOHHMYFE-LLVKDONJSA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1ccc(=O)c(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571176564 952833539 /nfs/dbraw/zinc/83/35/39/952833539.db2.gz UVTPUSIOHHMYFE-NSHDSACASA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1ccc(=O)c(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571176564 952833534 /nfs/dbraw/zinc/83/35/34/952833534.db2.gz UVTPUSIOHHMYFE-NSHDSACASA-N -1 1 381.400 -0.070 20 0 GBADMM Cn1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccc1=O ZINC001571176566 952832964 /nfs/dbraw/zinc/83/29/64/952832964.db2.gz UXUJXIPBYKQOCP-LLVKDONJSA-N -1 1 381.400 -0.388 20 0 GBADMM Cn1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)ccc1=O ZINC001571176566 952832959 /nfs/dbraw/zinc/83/29/59/952832959.db2.gz UXUJXIPBYKQOCP-LLVKDONJSA-N -1 1 381.400 -0.388 20 0 GBADMM Cn1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccc1=O ZINC001571176567 952832878 /nfs/dbraw/zinc/83/28/78/952832878.db2.gz UXUJXIPBYKQOCP-NSHDSACASA-N -1 1 381.400 -0.388 20 0 GBADMM Cn1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)ccc1=O ZINC001571176567 952832875 /nfs/dbraw/zinc/83/28/75/952832875.db2.gz UXUJXIPBYKQOCP-NSHDSACASA-N -1 1 381.400 -0.388 20 0 GBADMM O=C(CCn1ccccc1=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571176632 952834350 /nfs/dbraw/zinc/83/43/50/952834350.db2.gz WNKGBLMAZZYBHV-UHFFFAOYSA-N -1 1 381.400 -0.443 20 0 GBADMM O=C(CCn1ccccc1=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571176632 952834348 /nfs/dbraw/zinc/83/43/48/952834348.db2.gz WNKGBLMAZZYBHV-UHFFFAOYSA-N -1 1 381.400 -0.443 20 0 GBADMM Cn1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)ccc1=O ZINC001571176636 952834459 /nfs/dbraw/zinc/83/44/59/952834459.db2.gz WNVGRVFSSOJPOU-UMSPYCQHSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)ccc1=O ZINC001571176636 952834456 /nfs/dbraw/zinc/83/44/56/952834456.db2.gz WNVGRVFSSOJPOU-UMSPYCQHSA-N -1 1 381.400 -0.024 20 0 GBADMM Cc1cnccc1CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571176645 952834574 /nfs/dbraw/zinc/83/45/74/952834574.db2.gz WTIGNRLGDAQBCS-KGLIPLIRSA-N -1 1 381.400 -0.731 20 0 GBADMM Cc1cnccc1CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571176645 952834568 /nfs/dbraw/zinc/83/45/68/952834568.db2.gz WTIGNRLGDAQBCS-KGLIPLIRSA-N -1 1 381.400 -0.731 20 0 GBADMM Cn1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1=O ZINC001571176668 952834814 /nfs/dbraw/zinc/83/48/14/952834814.db2.gz XBXQQBAYIISVOU-GFCCVEGCSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1=O ZINC001571176668 952834809 /nfs/dbraw/zinc/83/48/09/952834809.db2.gz XBXQQBAYIISVOU-GFCCVEGCSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1=O ZINC001571176670 952834967 /nfs/dbraw/zinc/83/49/67/952834967.db2.gz XBXQQBAYIISVOU-LBPRGKRZSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1=O ZINC001571176670 952834964 /nfs/dbraw/zinc/83/49/64/952834964.db2.gz XBXQQBAYIISVOU-LBPRGKRZSA-N -1 1 381.400 -0.246 20 0 GBADMM Cc1cccnc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001571176676 952834246 /nfs/dbraw/zinc/83/42/46/952834246.db2.gz XDBCPJZQXYVPCF-GFCCVEGCSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cccnc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001571176676 952834243 /nfs/dbraw/zinc/83/42/43/952834243.db2.gz XDBCPJZQXYVPCF-GFCCVEGCSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cccnc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001571176678 952835031 /nfs/dbraw/zinc/83/50/31/952835031.db2.gz XDBCPJZQXYVPCF-LBPRGKRZSA-N -1 1 381.400 -0.005 20 0 GBADMM Cc1cccnc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001571176678 952835027 /nfs/dbraw/zinc/83/50/27/952835027.db2.gz XDBCPJZQXYVPCF-LBPRGKRZSA-N -1 1 381.400 -0.005 20 0 GBADMM Cn1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571176682 952834444 /nfs/dbraw/zinc/83/44/44/952834444.db2.gz XDSBBUPMQLKUCV-GFCCVEGCSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571176685 952834270 /nfs/dbraw/zinc/83/42/70/952834270.db2.gz XDSBBUPMQLKUCV-LBPRGKRZSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1=O ZINC001571176796 952834657 /nfs/dbraw/zinc/83/46/57/952834657.db2.gz XVQQRPNKORMTAJ-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1=O ZINC001571176796 952834647 /nfs/dbraw/zinc/83/46/47/952834647.db2.gz XVQQRPNKORMTAJ-LLVKDONJSA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1=O ZINC001571176799 952834979 /nfs/dbraw/zinc/83/49/79/952834979.db2.gz XVQQRPNKORMTAJ-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1cccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1=O ZINC001571176799 952834976 /nfs/dbraw/zinc/83/49/76/952834976.db2.gz XVQQRPNKORMTAJ-NSHDSACASA-N -1 1 381.400 -0.246 20 0 GBADMM Cn1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571176801 952835050 /nfs/dbraw/zinc/83/50/50/952835050.db2.gz XXXXIPWQDTYRSR-UMSPYCQHSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1=O ZINC001571176801 952835044 /nfs/dbraw/zinc/83/50/44/952835044.db2.gz XXXXIPWQDTYRSR-UMSPYCQHSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571176814 952834618 /nfs/dbraw/zinc/83/46/18/952834618.db2.gz YEQGJFVDNLMMCH-XYPYZODXSA-N -1 1 381.400 -0.024 20 0 GBADMM Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571176814 952834609 /nfs/dbraw/zinc/83/46/09/952834609.db2.gz YEQGJFVDNLMMCH-XYPYZODXSA-N -1 1 381.400 -0.024 20 0 GBADMM O=C(Cc1cccnc1)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571176889 952835964 /nfs/dbraw/zinc/83/59/64/952835964.db2.gz ZCWREUAKALWHDP-CYBMUJFWSA-N -1 1 381.400 -0.066 20 0 GBADMM O=C(Cc1cccnc1)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571176889 952835957 /nfs/dbraw/zinc/83/59/57/952835957.db2.gz ZCWREUAKALWHDP-CYBMUJFWSA-N -1 1 381.400 -0.066 20 0 GBADMM O=C(Cc1cccnc1)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571176901 952835741 /nfs/dbraw/zinc/83/57/41/952835741.db2.gz ZCWREUAKALWHDP-ZDUSSCGKSA-N -1 1 381.400 -0.066 20 0 GBADMM O=C(Cc1cccnc1)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571176901 952835737 /nfs/dbraw/zinc/83/57/37/952835737.db2.gz ZCWREUAKALWHDP-ZDUSSCGKSA-N -1 1 381.400 -0.066 20 0 GBADMM Cn1cc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ccc1=O ZINC001571176914 952835935 /nfs/dbraw/zinc/83/59/35/952835935.db2.gz ZNWKIKFYWFSLEW-UMSPYCQHSA-N -1 1 381.400 -0.602 20 0 GBADMM Cn1ccc(=O)c(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571176932 952836707 /nfs/dbraw/zinc/83/67/07/952836707.db2.gz ZVXODJTYBAKIKE-XYPYZODXSA-N -1 1 381.400 -0.602 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(C)nn2)n1 ZINC001571178182 952836651 /nfs/dbraw/zinc/83/66/51/952836651.db2.gz AQMLENBXMSGEGZ-QRJZZWFUSA-N -1 1 381.404 -0.788 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn(C)nn2)n1 ZINC001571178182 952836646 /nfs/dbraw/zinc/83/66/46/952836646.db2.gz AQMLENBXMSGEGZ-QRJZZWFUSA-N -1 1 381.404 -0.788 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001571178188 952836622 /nfs/dbraw/zinc/83/66/22/952836622.db2.gz AWFZMPQNQZRJJV-SDDRHHMPSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001571178188 952836617 /nfs/dbraw/zinc/83/66/17/952836617.db2.gz AWFZMPQNQZRJJV-SDDRHHMPSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001571178189 952836375 /nfs/dbraw/zinc/83/63/75/952836375.db2.gz AWFZMPQNQZRJJV-UTUOFQBUSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001571178189 952836370 /nfs/dbraw/zinc/83/63/70/952836370.db2.gz AWFZMPQNQZRJJV-UTUOFQBUSA-N -1 1 381.404 -0.311 20 0 GBADMM CN(C)c1cnc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571178200 952836677 /nfs/dbraw/zinc/83/66/77/952836677.db2.gz BAEAQPXVGOVMFC-AOOOYVTPSA-N -1 1 381.404 -0.114 20 0 GBADMM CN(C)c1cnc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571178200 952836671 /nfs/dbraw/zinc/83/66/71/952836671.db2.gz BAEAQPXVGOVMFC-AOOOYVTPSA-N -1 1 381.404 -0.114 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2nccnc2N)CC1 ZINC001571178201 952836663 /nfs/dbraw/zinc/83/66/63/952836663.db2.gz BBNNOGKPGXWUDO-UHFFFAOYSA-N -1 1 381.404 -0.230 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2nccnc2N)CC1 ZINC001571178201 952836659 /nfs/dbraw/zinc/83/66/59/952836659.db2.gz BBNNOGKPGXWUDO-UHFFFAOYSA-N -1 1 381.404 -0.230 20 0 GBADMM O=C(CCn1cncn1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571178207 952836298 /nfs/dbraw/zinc/83/62/98/952836298.db2.gz BCOGPECEECUBOD-TXEJJXNPSA-N -1 1 381.404 -0.767 20 0 GBADMM O=C([C@@H]1CCCc2nn[nH]c21)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178210 952837135 /nfs/dbraw/zinc/83/71/35/952837135.db2.gz BJQAHPMFHZJNHE-NXEZZACHSA-N -1 1 381.404 -0.670 20 0 GBADMM O=C([C@H]1CCCc2nn[nH]c21)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178211 952837579 /nfs/dbraw/zinc/83/75/79/952837579.db2.gz BJQAHPMFHZJNHE-ZJUUUORDSA-N -1 1 381.404 -0.670 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)c4ncn(C)n4)[C@@H]3C2)n1 ZINC001571178217 952837785 /nfs/dbraw/zinc/83/77/85/952837785.db2.gz BLJCMGWNCMEFAC-CMPLNLGQSA-N -1 1 381.404 -0.555 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)c4ncn(C)n4)[C@@H]3C2)n1 ZINC001571178217 952837783 /nfs/dbraw/zinc/83/77/83/952837783.db2.gz BLJCMGWNCMEFAC-CMPLNLGQSA-N -1 1 381.404 -0.555 20 0 GBADMM Cc1nn[nH]c1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571178218 952837108 /nfs/dbraw/zinc/83/71/08/952837108.db2.gz BLMDRTUPFCNRNE-UHFFFAOYSA-N -1 1 381.404 -0.342 20 0 GBADMM Cn1cc(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)nn1 ZINC001571178223 952837937 /nfs/dbraw/zinc/83/79/37/952837937.db2.gz BOKANANMCOLZHX-INIZCTEOSA-N -1 1 381.404 -0.472 20 0 GBADMM Cn1cc(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)nn1 ZINC001571178223 952837933 /nfs/dbraw/zinc/83/79/33/952837933.db2.gz BOKANANMCOLZHX-INIZCTEOSA-N -1 1 381.404 -0.472 20 0 GBADMM Cn1cc(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)nn1 ZINC001571178224 952837258 /nfs/dbraw/zinc/83/72/58/952837258.db2.gz BOKANANMCOLZHX-MRXNPFEDSA-N -1 1 381.404 -0.472 20 0 GBADMM Cn1cc(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)nn1 ZINC001571178224 952837249 /nfs/dbraw/zinc/83/72/49/952837249.db2.gz BOKANANMCOLZHX-MRXNPFEDSA-N -1 1 381.404 -0.472 20 0 GBADMM Cn1nncc1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571178247 952837619 /nfs/dbraw/zinc/83/76/19/952837619.db2.gz CSFLIKDKZXFGPP-HWPZZCPQSA-N -1 1 381.404 -0.616 20 0 GBADMM Cn1nncc1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001571178247 952837616 /nfs/dbraw/zinc/83/76/16/952837616.db2.gz CSFLIKDKZXFGPP-HWPZZCPQSA-N -1 1 381.404 -0.616 20 0 GBADMM Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)nnn1C ZINC001571178265 952836973 /nfs/dbraw/zinc/83/69/73/952836973.db2.gz DIAYWFASSQCFMN-PHIMTYICSA-N -1 1 381.404 -0.413 20 0 GBADMM CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)nn1 ZINC001571178268 952837269 /nfs/dbraw/zinc/83/72/69/952837269.db2.gz DPTHVSRDNBLIKF-QWRGUYRKSA-N -1 1 381.404 -0.239 20 0 GBADMM Cn1cnc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571178272 952838043 /nfs/dbraw/zinc/83/80/43/952838043.db2.gz DWUGQURQNDFZFU-GHMZBOCLSA-N -1 1 381.404 -0.062 20 0 GBADMM Cn1cnc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571178272 952838039 /nfs/dbraw/zinc/83/80/39/952838039.db2.gz DWUGQURQNDFZFU-GHMZBOCLSA-N -1 1 381.404 -0.062 20 0 GBADMM Cn1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571178273 952837763 /nfs/dbraw/zinc/83/77/63/952837763.db2.gz DWUGQURQNDFZFU-MNOVXSKESA-N -1 1 381.404 -0.062 20 0 GBADMM Cn1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571178273 952837760 /nfs/dbraw/zinc/83/77/60/952837760.db2.gz DWUGQURQNDFZFU-MNOVXSKESA-N -1 1 381.404 -0.062 20 0 GBADMM Cn1cnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571178274 952837150 /nfs/dbraw/zinc/83/71/50/952837150.db2.gz DWUGQURQNDFZFU-QWRGUYRKSA-N -1 1 381.404 -0.062 20 0 GBADMM Cn1cnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571178274 952837147 /nfs/dbraw/zinc/83/71/47/952837147.db2.gz DWUGQURQNDFZFU-QWRGUYRKSA-N -1 1 381.404 -0.062 20 0 GBADMM Cn1cnc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571178275 952837915 /nfs/dbraw/zinc/83/79/15/952837915.db2.gz DWUGQURQNDFZFU-WDEREUQCSA-N -1 1 381.404 -0.062 20 0 GBADMM Cn1cnc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571178275 952837911 /nfs/dbraw/zinc/83/79/11/952837911.db2.gz DWUGQURQNDFZFU-WDEREUQCSA-N -1 1 381.404 -0.062 20 0 GBADMM O=C([C@@H]1CCc2nncn2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178276 952837090 /nfs/dbraw/zinc/83/70/90/952837090.db2.gz DYGGJFAASUTIIK-MNOVXSKESA-N -1 1 381.404 -0.476 20 0 GBADMM O=C([C@@H]1CCc2nncn2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178276 952837086 /nfs/dbraw/zinc/83/70/86/952837086.db2.gz DYGGJFAASUTIIK-MNOVXSKESA-N -1 1 381.404 -0.476 20 0 GBADMM O=C([C@H]1CCc2nncn2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178277 952837223 /nfs/dbraw/zinc/83/72/23/952837223.db2.gz DYGGJFAASUTIIK-QWRGUYRKSA-N -1 1 381.404 -0.476 20 0 GBADMM O=C([C@H]1CCc2nncn2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178277 952837216 /nfs/dbraw/zinc/83/72/16/952837216.db2.gz DYGGJFAASUTIIK-QWRGUYRKSA-N -1 1 381.404 -0.476 20 0 GBADMM Cc1c(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)nnn1C ZINC001571178299 952838335 /nfs/dbraw/zinc/83/83/35/952838335.db2.gz FNRYHYDDEDABEQ-PHIMTYICSA-N -1 1 381.404 -0.698 20 0 GBADMM Cc1c(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)nnn1C ZINC001571178299 952838331 /nfs/dbraw/zinc/83/83/31/952838331.db2.gz FNRYHYDDEDABEQ-PHIMTYICSA-N -1 1 381.404 -0.698 20 0 GBADMM Cc1n[nH]nc1C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571178306 952838987 /nfs/dbraw/zinc/83/89/87/952838987.db2.gz FQSWYUZWQKWUJD-MNOVXSKESA-N -1 1 381.404 -0.318 20 0 GBADMM O=C(c1nc[nH]n1)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571178308 952838641 /nfs/dbraw/zinc/83/86/41/952838641.db2.gz FRVBWHCILZYTQI-UHFFFAOYSA-N -1 1 381.404 -0.093 20 0 GBADMM O=C(c1nc[nH]n1)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571178308 952838635 /nfs/dbraw/zinc/83/86/35/952838635.db2.gz FRVBWHCILZYTQI-UHFFFAOYSA-N -1 1 381.404 -0.093 20 0 GBADMM Cc1n[nH]nc1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001571178310 952838920 /nfs/dbraw/zinc/83/89/20/952838920.db2.gz FTXOHIUCOYKYLS-HWPZZCPQSA-N -1 1 381.404 -0.318 20 0 GBADMM O=C(Cn1cc(C2CC2)nn1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178313 952838449 /nfs/dbraw/zinc/83/84/49/952838449.db2.gz FWAMDJDLRNXJBE-LLVKDONJSA-N -1 1 381.404 -0.161 20 0 GBADMM O=C(Cn1cc(C2CC2)nn1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178313 952838442 /nfs/dbraw/zinc/83/84/42/952838442.db2.gz FWAMDJDLRNXJBE-LLVKDONJSA-N -1 1 381.404 -0.161 20 0 GBADMM O=C(Cn1cc(C2CC2)nn1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178314 952838751 /nfs/dbraw/zinc/83/87/51/952838751.db2.gz FWAMDJDLRNXJBE-NSHDSACASA-N -1 1 381.404 -0.161 20 0 GBADMM O=C(Cn1cc(C2CC2)nn1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178314 952838741 /nfs/dbraw/zinc/83/87/41/952838741.db2.gz FWAMDJDLRNXJBE-NSHDSACASA-N -1 1 381.404 -0.161 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178316 952839677 /nfs/dbraw/zinc/83/96/77/952839677.db2.gz FXWBCOXHWAHGQP-CMPLNLGQSA-N -1 1 381.404 -0.176 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178317 952839399 /nfs/dbraw/zinc/83/93/99/952839399.db2.gz FXWBCOXHWAHGQP-JQWIXIFHSA-N -1 1 381.404 -0.176 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178318 952839260 /nfs/dbraw/zinc/83/92/60/952839260.db2.gz FXWBCOXHWAHGQP-PWSUYJOCSA-N -1 1 381.404 -0.176 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178319 952839334 /nfs/dbraw/zinc/83/93/34/952839334.db2.gz FXWBCOXHWAHGQP-ZYHUDNBSSA-N -1 1 381.404 -0.176 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571178325 952839459 /nfs/dbraw/zinc/83/94/59/952839459.db2.gz GAMNDBSXHYKDIX-NEPJUHHUSA-N -1 1 381.404 -0.033 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571178326 952838412 /nfs/dbraw/zinc/83/84/12/952838412.db2.gz GAMNDBSXHYKDIX-NWDGAFQWSA-N -1 1 381.404 -0.033 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571178327 952838693 /nfs/dbraw/zinc/83/86/93/952838693.db2.gz GAMNDBSXHYKDIX-RYUDHWBXSA-N -1 1 381.404 -0.033 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571178328 952839214 /nfs/dbraw/zinc/83/92/14/952839214.db2.gz GAMNDBSXHYKDIX-VXGBXAGGSA-N -1 1 381.404 -0.033 20 0 GBADMM Cn1ncc(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[n-]n4)n2)C3)n1 ZINC001571178330 952839526 /nfs/dbraw/zinc/83/95/26/952839526.db2.gz GCOIUUHGOWTAOY-UHFFFAOYSA-N -1 1 381.404 -0.640 20 0 GBADMM Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001571178346 952838580 /nfs/dbraw/zinc/83/85/80/952838580.db2.gz GGNHAECHWRXIKD-PHIMTYICSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001571178346 952838574 /nfs/dbraw/zinc/83/85/74/952838574.db2.gz GGNHAECHWRXIKD-PHIMTYICSA-N -1 1 381.404 -0.331 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCN(C(=O)c4cn[nH]n4)C3)C2)n1 ZINC001571178350 952839310 /nfs/dbraw/zinc/83/93/10/952839310.db2.gz GLWVTDBFVRZCNE-INIZCTEOSA-N -1 1 381.404 -0.174 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCN(C(=O)c4cn[nH]n4)C3)C2)n1 ZINC001571178351 952839596 /nfs/dbraw/zinc/83/95/96/952839596.db2.gz GLWVTDBFVRZCNE-MRXNPFEDSA-N -1 1 381.404 -0.174 20 0 GBADMM Cn1ncc(C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571178353 952838726 /nfs/dbraw/zinc/83/87/26/952838726.db2.gz GMFJWGWYTSLUSS-BDJLRTHQSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1ncc(C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571178353 952838721 /nfs/dbraw/zinc/83/87/21/952838721.db2.gz GMFJWGWYTSLUSS-BDJLRTHQSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1ncc(C(=O)N[C@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571178354 952839016 /nfs/dbraw/zinc/83/90/16/952839016.db2.gz GMFJWGWYTSLUSS-BZNIZROVSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1ncc(C(=O)N[C@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571178354 952839015 /nfs/dbraw/zinc/83/90/15/952839015.db2.gz GMFJWGWYTSLUSS-BZNIZROVSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1ncc(C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571178355 952838780 /nfs/dbraw/zinc/83/87/80/952838780.db2.gz GMFJWGWYTSLUSS-MEDUHNTESA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1ncc(C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571178355 952838770 /nfs/dbraw/zinc/83/87/70/952838770.db2.gz GMFJWGWYTSLUSS-MEDUHNTESA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1ncc(C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571178356 952839009 /nfs/dbraw/zinc/83/90/09/952839009.db2.gz GMFJWGWYTSLUSS-ZBEGNZNMSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1ncc(C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571178356 952839005 /nfs/dbraw/zinc/83/90/05/952839005.db2.gz GMFJWGWYTSLUSS-ZBEGNZNMSA-N -1 1 381.404 -0.283 20 0 GBADMM CC1(C)CN(C(=O)c2nccnc2N)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571178357 952839370 /nfs/dbraw/zinc/83/93/70/952839370.db2.gz GOMJTBUBGPYXPA-SECBINFHSA-N -1 1 381.404 -0.008 20 0 GBADMM CC1(C)CN(C(=O)c2nccnc2N)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571178357 952839363 /nfs/dbraw/zinc/83/93/63/952839363.db2.gz GOMJTBUBGPYXPA-SECBINFHSA-N -1 1 381.404 -0.008 20 0 GBADMM CC1(C)CN(C(=O)c2nccnc2N)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571178358 952839561 /nfs/dbraw/zinc/83/95/61/952839561.db2.gz GOMJTBUBGPYXPA-VIFPVBQESA-N -1 1 381.404 -0.008 20 0 GBADMM CC1(C)CN(C(=O)c2nccnc2N)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571178358 952839554 /nfs/dbraw/zinc/83/95/54/952839554.db2.gz GOMJTBUBGPYXPA-VIFPVBQESA-N -1 1 381.404 -0.008 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571178363 952838971 /nfs/dbraw/zinc/83/89/71/952838971.db2.gz GQHLTOZHTQWQGD-LLVKDONJSA-N -1 1 381.404 -0.128 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571178363 952838970 /nfs/dbraw/zinc/83/89/70/952838970.db2.gz GQHLTOZHTQWQGD-LLVKDONJSA-N -1 1 381.404 -0.128 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571178364 952838660 /nfs/dbraw/zinc/83/86/60/952838660.db2.gz GQHLTOZHTQWQGD-NSHDSACASA-N -1 1 381.404 -0.128 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571178364 952838655 /nfs/dbraw/zinc/83/86/55/952838655.db2.gz GQHLTOZHTQWQGD-NSHDSACASA-N -1 1 381.404 -0.128 20 0 GBADMM CCn1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)n1 ZINC001571178376 952840421 /nfs/dbraw/zinc/84/04/21/952840421.db2.gz HDTQJYHNLNYEHP-QWRGUYRKSA-N -1 1 381.404 -0.320 20 0 GBADMM CCn1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)n1 ZINC001571178376 952840417 /nfs/dbraw/zinc/84/04/17/952840417.db2.gz HDTQJYHNLNYEHP-QWRGUYRKSA-N -1 1 381.404 -0.320 20 0 GBADMM Cn1cc(C(=O)N[C@@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)nn1 ZINC001571178377 952840338 /nfs/dbraw/zinc/84/03/38/952840338.db2.gz HDVRSRMRFVUWRM-BDJLRTHQSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cc(C(=O)N[C@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)nn1 ZINC001571178378 952840685 /nfs/dbraw/zinc/84/06/85/952840685.db2.gz HDVRSRMRFVUWRM-BZNIZROVSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cc(C(=O)N[C@@]23CCC[C@@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)nn1 ZINC001571178379 952840933 /nfs/dbraw/zinc/84/09/33/952840933.db2.gz HDVRSRMRFVUWRM-MEDUHNTESA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cc(C(=O)N[C@]23CCC[C@@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)nn1 ZINC001571178380 952840320 /nfs/dbraw/zinc/84/03/20/952840320.db2.gz HDVRSRMRFVUWRM-ZBEGNZNMSA-N -1 1 381.404 -0.283 20 0 GBADMM Cc1n[nH]nc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571178386 952839953 /nfs/dbraw/zinc/83/99/53/952839953.db2.gz HKSXWQQMLQCNIQ-PHIMTYICSA-N -1 1 381.404 -0.033 20 0 GBADMM O=C(Cc1nnc[nH]1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178387 952840433 /nfs/dbraw/zinc/84/04/33/952840433.db2.gz HKTVLGIFVWRMSP-CMPLNLGQSA-N -1 1 381.404 -0.555 20 0 GBADMM O=C(Cc1nnc[nH]1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178388 952841086 /nfs/dbraw/zinc/84/10/86/952841086.db2.gz HKTVLGIFVWRMSP-JQWIXIFHSA-N -1 1 381.404 -0.555 20 0 GBADMM O=C(Cc1nnc[nH]1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178389 952840283 /nfs/dbraw/zinc/84/02/83/952840283.db2.gz HKTVLGIFVWRMSP-PWSUYJOCSA-N -1 1 381.404 -0.555 20 0 GBADMM O=C(Cc1nnc[nH]1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178390 952841073 /nfs/dbraw/zinc/84/10/73/952841073.db2.gz HKTVLGIFVWRMSP-ZYHUDNBSSA-N -1 1 381.404 -0.555 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)c2nccnc2N)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571178404 952840521 /nfs/dbraw/zinc/84/05/21/952840521.db2.gz HRZWHIMXEWHMBO-JTQLQIEISA-N -1 1 381.404 -0.373 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)c2nccnc2N)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571178404 952840516 /nfs/dbraw/zinc/84/05/16/952840516.db2.gz HRZWHIMXEWHMBO-JTQLQIEISA-N -1 1 381.404 -0.373 20 0 GBADMM CN(C[C@H]1CCN(C(=O)c2nccnc2N)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571178405 952839936 /nfs/dbraw/zinc/83/99/36/952839936.db2.gz HRZWHIMXEWHMBO-SNVBAGLBSA-N -1 1 381.404 -0.373 20 0 GBADMM CN(C[C@H]1CCN(C(=O)c2nccnc2N)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571178405 952839929 /nfs/dbraw/zinc/83/99/29/952839929.db2.gz HRZWHIMXEWHMBO-SNVBAGLBSA-N -1 1 381.404 -0.373 20 0 GBADMM Cn1nncc1C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571178411 952840002 /nfs/dbraw/zinc/84/00/02/952840002.db2.gz HWTLFMADBQRFDS-GFCCVEGCSA-N -1 1 381.404 -0.426 20 0 GBADMM Cn1nncc1C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571178411 952839997 /nfs/dbraw/zinc/83/99/97/952839997.db2.gz HWTLFMADBQRFDS-GFCCVEGCSA-N -1 1 381.404 -0.426 20 0 GBADMM Cn1nncc1C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571178412 952840738 /nfs/dbraw/zinc/84/07/38/952840738.db2.gz HWTLFMADBQRFDS-LBPRGKRZSA-N -1 1 381.404 -0.426 20 0 GBADMM Cn1nncc1C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571178412 952840733 /nfs/dbraw/zinc/84/07/33/952840733.db2.gz HWTLFMADBQRFDS-LBPRGKRZSA-N -1 1 381.404 -0.426 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)c2nccnc2N)n1 ZINC001571178413 952841114 /nfs/dbraw/zinc/84/11/14/952841114.db2.gz HXTBHVNKRCOURX-JTQLQIEISA-N -1 1 381.404 -0.264 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)c2nccnc2N)n1 ZINC001571178413 952841113 /nfs/dbraw/zinc/84/11/13/952841113.db2.gz HXTBHVNKRCOURX-JTQLQIEISA-N -1 1 381.404 -0.264 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)c2nccnc2N)n1 ZINC001571178414 952840373 /nfs/dbraw/zinc/84/03/73/952840373.db2.gz HXTBHVNKRCOURX-SNVBAGLBSA-N -1 1 381.404 -0.264 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)c2nccnc2N)n1 ZINC001571178414 952840368 /nfs/dbraw/zinc/84/03/68/952840368.db2.gz HXTBHVNKRCOURX-SNVBAGLBSA-N -1 1 381.404 -0.264 20 0 GBADMM CCn1cc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)nn1 ZINC001571178416 952840647 /nfs/dbraw/zinc/84/06/47/952840647.db2.gz HYXQUWRFRJAEPL-CMPLNLGQSA-N -1 1 381.404 -0.381 20 0 GBADMM CCn1cc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)nn1 ZINC001571178416 952840642 /nfs/dbraw/zinc/84/06/42/952840642.db2.gz HYXQUWRFRJAEPL-CMPLNLGQSA-N -1 1 381.404 -0.381 20 0 GBADMM O=C(Cn1cncn1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571178417 952840104 /nfs/dbraw/zinc/84/01/04/952840104.db2.gz IANMIIQMPCQNNI-INIZCTEOSA-N -1 1 381.404 -0.623 20 0 GBADMM O=C(Cn1cncn1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571178417 952840098 /nfs/dbraw/zinc/84/00/98/952840098.db2.gz IANMIIQMPCQNNI-INIZCTEOSA-N -1 1 381.404 -0.623 20 0 GBADMM O=C(Cn1cncn1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571178418 952840601 /nfs/dbraw/zinc/84/06/01/952840601.db2.gz IANMIIQMPCQNNI-MRXNPFEDSA-N -1 1 381.404 -0.623 20 0 GBADMM O=C(Cn1cncn1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571178418 952840596 /nfs/dbraw/zinc/84/05/96/952840596.db2.gz IANMIIQMPCQNNI-MRXNPFEDSA-N -1 1 381.404 -0.623 20 0 GBADMM C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571178429 952840885 /nfs/dbraw/zinc/84/08/85/952840885.db2.gz IQDDZCVDXLBVDZ-BZNIZROVSA-N -1 1 381.404 -0.767 20 0 GBADMM C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571178429 952840872 /nfs/dbraw/zinc/84/08/72/952840872.db2.gz IQDDZCVDXLBVDZ-BZNIZROVSA-N -1 1 381.404 -0.767 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)c4cn(C)nn4)[C@@H]3C2)n1 ZINC001571178463 952841966 /nfs/dbraw/zinc/84/19/66/952841966.db2.gz JKSVETZDKPWOMY-RTCCRHLQSA-N -1 1 381.404 -0.794 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3[C@@H](CNC(=O)c4cn(C)nn4)[C@@H]3C2)n1 ZINC001571178463 952841962 /nfs/dbraw/zinc/84/19/62/952841962.db2.gz JKSVETZDKPWOMY-RTCCRHLQSA-N -1 1 381.404 -0.794 20 0 GBADMM Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)c1N ZINC001571178466 952841580 /nfs/dbraw/zinc/84/15/80/952841580.db2.gz JNUHOQMXWIUOBW-QRTLGDNMSA-N -1 1 381.404 -0.488 20 0 GBADMM Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)c1N ZINC001571178466 952841568 /nfs/dbraw/zinc/84/15/68/952841568.db2.gz JNUHOQMXWIUOBW-QRTLGDNMSA-N -1 1 381.404 -0.488 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3nccnc3N)C2)n1 ZINC001571178468 952841434 /nfs/dbraw/zinc/84/14/34/952841434.db2.gz JRSFFOHJZWPFMH-SNVBAGLBSA-N -1 1 381.404 -0.264 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3nccnc3N)C2)n1 ZINC001571178468 952841423 /nfs/dbraw/zinc/84/14/23/952841423.db2.gz JRSFFOHJZWPFMH-SNVBAGLBSA-N -1 1 381.404 -0.264 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)c4cn(C)nn4)[C@@H]3C2)n1 ZINC001571178470 952842296 /nfs/dbraw/zinc/84/22/96/952842296.db2.gz JUNVMFVOOJHCKV-GXFFZTMASA-N -1 1 381.404 -0.555 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)c4cn(C)nn4)[C@@H]3C2)n1 ZINC001571178470 952842290 /nfs/dbraw/zinc/84/22/90/952842290.db2.gz JUNVMFVOOJHCKV-GXFFZTMASA-N -1 1 381.404 -0.555 20 0 GBADMM O=C(Cn1cncn1)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571178478 952841642 /nfs/dbraw/zinc/84/16/42/952841642.db2.gz KBMWNKCSATYVIQ-UHFFFAOYSA-N -1 1 381.404 -0.212 20 0 GBADMM O=C(Cn1cncn1)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571178478 952841631 /nfs/dbraw/zinc/84/16/31/952841631.db2.gz KBMWNKCSATYVIQ-UHFFFAOYSA-N -1 1 381.404 -0.212 20 0 GBADMM Nc1nccnc1C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571178493 952842128 /nfs/dbraw/zinc/84/21/28/952842128.db2.gz KPUHJKHITTZQAJ-UHFFFAOYSA-N -1 1 381.404 -0.585 20 0 GBADMM CCn1nncc1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571178512 952842005 /nfs/dbraw/zinc/84/20/05/952842005.db2.gz LIIGGAMVQUSFJE-CMPLNLGQSA-N -1 1 381.404 -0.381 20 0 GBADMM CCn1nncc1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571178512 952841996 /nfs/dbraw/zinc/84/19/96/952841996.db2.gz LIIGGAMVQUSFJE-CMPLNLGQSA-N -1 1 381.404 -0.381 20 0 GBADMM Cn1nncc1C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571178514 952842374 /nfs/dbraw/zinc/84/23/74/952842374.db2.gz LLWGLGHYNTWPGN-BLLLJJGKSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1nncc1C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571178514 952842368 /nfs/dbraw/zinc/84/23/68/952842368.db2.gz LLWGLGHYNTWPGN-BLLLJJGKSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1nncc1C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571178515 952841549 /nfs/dbraw/zinc/84/15/49/952841549.db2.gz LLWGLGHYNTWPGN-LRDDRELGSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1nncc1C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571178515 952841533 /nfs/dbraw/zinc/84/15/33/952841533.db2.gz LLWGLGHYNTWPGN-LRDDRELGSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1nncc1C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571178516 952841613 /nfs/dbraw/zinc/84/16/13/952841613.db2.gz LLWGLGHYNTWPGN-MLGOLLRUSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1nncc1C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571178516 952841603 /nfs/dbraw/zinc/84/16/03/952841603.db2.gz LLWGLGHYNTWPGN-MLGOLLRUSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1nncc1C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571178517 952842386 /nfs/dbraw/zinc/84/23/86/952842386.db2.gz LLWGLGHYNTWPGN-WBMJQRKESA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1nncc1C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571178517 952842383 /nfs/dbraw/zinc/84/23/83/952842383.db2.gz LLWGLGHYNTWPGN-WBMJQRKESA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cnc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)n1 ZINC001571178523 952842398 /nfs/dbraw/zinc/84/23/98/952842398.db2.gz LVVAOKWIKRGMQY-PHIMTYICSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cnc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)n1 ZINC001571178523 952842394 /nfs/dbraw/zinc/84/23/94/952842394.db2.gz LVVAOKWIKRGMQY-PHIMTYICSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571178531 952843567 /nfs/dbraw/zinc/84/35/67/952843567.db2.gz MGDNBMOVOXIFRN-MNOVXSKESA-N -1 1 381.404 -0.616 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCN(C(=O)c4nc[nH]n4)C3)C2)n1 ZINC001571178538 952843655 /nfs/dbraw/zinc/84/36/55/952843655.db2.gz MLZIRYHHOFNABS-INIZCTEOSA-N -1 1 381.404 -0.174 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCN(C(=O)c4nc[nH]n4)C3)C2)n1 ZINC001571178539 952843141 /nfs/dbraw/zinc/84/31/41/952843141.db2.gz MLZIRYHHOFNABS-MRXNPFEDSA-N -1 1 381.404 -0.174 20 0 GBADMM Cn1nncc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571178545 952843983 /nfs/dbraw/zinc/84/39/83/952843983.db2.gz MQUMOLNEXCOXTC-FGWVZKOKSA-N -1 1 381.404 -0.285 20 0 GBADMM Cn1nncc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571178545 952843977 /nfs/dbraw/zinc/84/39/77/952843977.db2.gz MQUMOLNEXCOXTC-FGWVZKOKSA-N -1 1 381.404 -0.285 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571178546 952843302 /nfs/dbraw/zinc/84/33/02/952843302.db2.gz MRCOPYPKMRMBJW-QFYYESIMSA-N -1 1 381.404 -0.128 20 0 GBADMM Cn1ncc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)n1 ZINC001571178551 952842781 /nfs/dbraw/zinc/84/27/81/952842781.db2.gz MSCOZWXIPAAFDQ-HWPZZCPQSA-N -1 1 381.404 -0.616 20 0 GBADMM Cn1ncc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)n1 ZINC001571178577 952842815 /nfs/dbraw/zinc/84/28/15/952842815.db2.gz NOVHJPNMFYGVLY-PHIMTYICSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1ncc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)n1 ZINC001571178577 952842808 /nfs/dbraw/zinc/84/28/08/952842808.db2.gz NOVHJPNMFYGVLY-PHIMTYICSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571178586 952842989 /nfs/dbraw/zinc/84/29/89/952842989.db2.gz NUIBCEZPJVUMNL-MNOVXSKESA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571178586 952842983 /nfs/dbraw/zinc/84/29/83/952842983.db2.gz NUIBCEZPJVUMNL-MNOVXSKESA-N -1 1 381.404 -0.331 20 0 GBADMM Nc1nccnc1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571178587 952843156 /nfs/dbraw/zinc/84/31/56/952843156.db2.gz NWDUJJJFFOHIQD-UHFFFAOYSA-N -1 1 381.404 -0.325 20 0 GBADMM Nc1nccnc1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571178587 952843152 /nfs/dbraw/zinc/84/31/52/952843152.db2.gz NWDUJJJFFOHIQD-UHFFFAOYSA-N -1 1 381.404 -0.325 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001571178590 952842941 /nfs/dbraw/zinc/84/29/41/952842941.db2.gz NZHFGFUPXVRPKB-WDEREUQCSA-N -1 1 381.404 -0.474 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001571178590 952842935 /nfs/dbraw/zinc/84/29/35/952842935.db2.gz NZHFGFUPXVRPKB-WDEREUQCSA-N -1 1 381.404 -0.474 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2C)n1 ZINC001571178592 952843937 /nfs/dbraw/zinc/84/39/37/952843937.db2.gz ODHHGOSIGMTRKK-LDYMZIIASA-N -1 1 381.404 -0.090 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2C)n1 ZINC001571178592 952843931 /nfs/dbraw/zinc/84/39/31/952843931.db2.gz ODHHGOSIGMTRKK-LDYMZIIASA-N -1 1 381.404 -0.090 20 0 GBADMM O=C(c1ccccn1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178600 952843631 /nfs/dbraw/zinc/84/36/31/952843631.db2.gz OJJLHXAJPXISTH-KRWDZBQOSA-N -1 1 381.400 -0.447 20 0 GBADMM O=C(c1ccccn1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178601 952843124 /nfs/dbraw/zinc/84/31/24/952843124.db2.gz OJJLHXAJPXISTH-QGZVFWFLSA-N -1 1 381.400 -0.447 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cn[nH]n2)n1 ZINC001571178602 952843423 /nfs/dbraw/zinc/84/34/23/952843423.db2.gz OPAYVJBFWRZQGS-MNOVXSKESA-N -1 1 381.404 -0.033 20 0 GBADMM O=C(c1cn(C2CCC2)nn1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571178615 952844417 /nfs/dbraw/zinc/84/44/17/952844417.db2.gz OWIACLFHZOJMJQ-UHFFFAOYSA-N -1 1 381.404 -0.064 20 0 GBADMM O=C(c1cn(C2CCC2)nn1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571178615 952844413 /nfs/dbraw/zinc/84/44/13/952844413.db2.gz OWIACLFHZOJMJQ-UHFFFAOYSA-N -1 1 381.404 -0.064 20 0 GBADMM CCn1nncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571178626 952845074 /nfs/dbraw/zinc/84/50/74/952845074.db2.gz PCHFVIVZMUGSBQ-FOGDFJRCSA-N -1 1 381.404 -0.192 20 0 GBADMM CCn1nncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571178626 952845067 /nfs/dbraw/zinc/84/50/67/952845067.db2.gz PCHFVIVZMUGSBQ-FOGDFJRCSA-N -1 1 381.404 -0.192 20 0 GBADMM CCn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571178628 952845367 /nfs/dbraw/zinc/84/53/67/952845367.db2.gz PDPTZDQYHZIWMI-PHIMTYICSA-N -1 1 381.404 -0.239 20 0 GBADMM CCn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571178628 952845364 /nfs/dbraw/zinc/84/53/64/952845364.db2.gz PDPTZDQYHZIWMI-PHIMTYICSA-N -1 1 381.404 -0.239 20 0 GBADMM Cn1ncc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1N ZINC001571178638 952844937 /nfs/dbraw/zinc/84/49/37/952844937.db2.gz PFXCDBVWEQEVBB-UIKWRGBMSA-N -1 1 381.404 -0.915 20 0 GBADMM Cn1ncc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1N ZINC001571178638 952844933 /nfs/dbraw/zinc/84/49/33/952844933.db2.gz PFXCDBVWEQEVBB-UIKWRGBMSA-N -1 1 381.404 -0.915 20 0 GBADMM O=C(c1nc[nH]n1)N1CCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571178642 952844999 /nfs/dbraw/zinc/84/49/99/952844999.db2.gz PLZQNPPIRUCMSE-INIZCTEOSA-N -1 1 381.404 -0.093 20 0 GBADMM O=C(c1nc[nH]n1)N1CCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571178642 952844990 /nfs/dbraw/zinc/84/49/90/952844990.db2.gz PLZQNPPIRUCMSE-INIZCTEOSA-N -1 1 381.404 -0.093 20 0 GBADMM O=C(c1nc[nH]n1)N1CCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571178643 952844356 /nfs/dbraw/zinc/84/43/56/952844356.db2.gz PLZQNPPIRUCMSE-MRXNPFEDSA-N -1 1 381.404 -0.093 20 0 GBADMM O=C(c1nc[nH]n1)N1CCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571178643 952844352 /nfs/dbraw/zinc/84/43/52/952844352.db2.gz PLZQNPPIRUCMSE-MRXNPFEDSA-N -1 1 381.404 -0.093 20 0 GBADMM CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571178653 952844681 /nfs/dbraw/zinc/84/46/81/952844681.db2.gz QCTUYTXFRGYFAP-PHIMTYICSA-N -1 1 381.404 -0.239 20 0 GBADMM CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571178653 952844676 /nfs/dbraw/zinc/84/46/76/952844676.db2.gz QCTUYTXFRGYFAP-PHIMTYICSA-N -1 1 381.404 -0.239 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1nccnc1N)c1cnc(-c2nn[n-]n2)cn1 ZINC001571178661 952845021 /nfs/dbraw/zinc/84/50/21/952845021.db2.gz QMWLVQSOHGIXEA-JTQLQIEISA-N -1 1 381.404 -0.230 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1nccnc1N)c1cnc(-c2nnn[n-]2)cn1 ZINC001571178661 952845017 /nfs/dbraw/zinc/84/50/17/952845017.db2.gz QMWLVQSOHGIXEA-JTQLQIEISA-N -1 1 381.404 -0.230 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1nccnc1N)c1cnc(-c2nn[n-]n2)cn1 ZINC001571178662 952844244 /nfs/dbraw/zinc/84/42/44/952844244.db2.gz QMWLVQSOHGIXEA-SNVBAGLBSA-N -1 1 381.404 -0.230 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1nccnc1N)c1cnc(-c2nnn[n-]2)cn1 ZINC001571178662 952844236 /nfs/dbraw/zinc/84/42/36/952844236.db2.gz QMWLVQSOHGIXEA-SNVBAGLBSA-N -1 1 381.404 -0.230 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)nn1 ZINC001571178669 952845224 /nfs/dbraw/zinc/84/52/24/952845224.db2.gz QRBPFRZIFMXYRY-CMPLNLGQSA-N -1 1 381.404 -0.474 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCc2nncn2C1 ZINC001571178676 952844876 /nfs/dbraw/zinc/84/48/76/952844876.db2.gz QVLSGIKJLHGHDM-GHMZBOCLSA-N -1 1 381.404 -0.794 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCc2nncn2C1 ZINC001571178676 952844873 /nfs/dbraw/zinc/84/48/73/952844873.db2.gz QVLSGIKJLHGHDM-GHMZBOCLSA-N -1 1 381.404 -0.794 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCc2nncn2C1 ZINC001571178677 952845254 /nfs/dbraw/zinc/84/52/54/952845254.db2.gz QVLSGIKJLHGHDM-MNOVXSKESA-N -1 1 381.404 -0.794 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCc2nncn2C1 ZINC001571178677 952845249 /nfs/dbraw/zinc/84/52/49/952845249.db2.gz QVLSGIKJLHGHDM-MNOVXSKESA-N -1 1 381.404 -0.794 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCc2nncn2C1 ZINC001571178678 952845158 /nfs/dbraw/zinc/84/51/58/952845158.db2.gz QVLSGIKJLHGHDM-QWRGUYRKSA-N -1 1 381.404 -0.794 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCc2nncn2C1 ZINC001571178678 952845147 /nfs/dbraw/zinc/84/51/47/952845147.db2.gz QVLSGIKJLHGHDM-QWRGUYRKSA-N -1 1 381.404 -0.794 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCc2nncn2C1 ZINC001571178679 952844138 /nfs/dbraw/zinc/84/41/38/952844138.db2.gz QVLSGIKJLHGHDM-WDEREUQCSA-N -1 1 381.404 -0.794 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCc2nncn2C1 ZINC001571178679 952844130 /nfs/dbraw/zinc/84/41/30/952844130.db2.gz QVLSGIKJLHGHDM-WDEREUQCSA-N -1 1 381.404 -0.794 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571178697 952846057 /nfs/dbraw/zinc/84/60/57/952846057.db2.gz RDCLSPGVQWRUPG-CHWSQXEVSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571178697 952846052 /nfs/dbraw/zinc/84/60/52/952846052.db2.gz RDCLSPGVQWRUPG-CHWSQXEVSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571178698 952846754 /nfs/dbraw/zinc/84/67/54/952846754.db2.gz RDCLSPGVQWRUPG-OLZOCXBDSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571178698 952846749 /nfs/dbraw/zinc/84/67/49/952846749.db2.gz RDCLSPGVQWRUPG-OLZOCXBDSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571178699 952845847 /nfs/dbraw/zinc/84/58/47/952845847.db2.gz RDCLSPGVQWRUPG-QWHCGFSZSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571178699 952845843 /nfs/dbraw/zinc/84/58/43/952845843.db2.gz RDCLSPGVQWRUPG-QWHCGFSZSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571178700 952845994 /nfs/dbraw/zinc/84/59/94/952845994.db2.gz RDCLSPGVQWRUPG-STQMWFEESA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571178700 952845986 /nfs/dbraw/zinc/84/59/86/952845986.db2.gz RDCLSPGVQWRUPG-STQMWFEESA-N -1 1 381.404 -0.331 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571178703 952846924 /nfs/dbraw/zinc/84/69/24/952846924.db2.gz RELZNJYGILJTPZ-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM CCn1nncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571178718 952846283 /nfs/dbraw/zinc/84/62/83/952846283.db2.gz RVJDBSHSXQQEPR-VWYCJHECSA-N -1 1 381.404 -0.192 20 0 GBADMM CCn1nncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571178718 952846279 /nfs/dbraw/zinc/84/62/79/952846279.db2.gz RVJDBSHSXQQEPR-VWYCJHECSA-N -1 1 381.404 -0.192 20 0 GBADMM C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571178719 952846300 /nfs/dbraw/zinc/84/63/00/952846300.db2.gz RVVCXIGFGMNTOM-HWPZZCPQSA-N -1 1 381.404 -0.698 20 0 GBADMM CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)nn1 ZINC001571178720 952845971 /nfs/dbraw/zinc/84/59/71/952845971.db2.gz RWMRUDFNIUCMJA-SCVCMEIPSA-N -1 1 381.404 -0.192 20 0 GBADMM CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)nn1 ZINC001571178720 952845964 /nfs/dbraw/zinc/84/59/64/952845964.db2.gz RWMRUDFNIUCMJA-SCVCMEIPSA-N -1 1 381.404 -0.192 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)c3nccnc3N)C2)n1 ZINC001571178722 952846272 /nfs/dbraw/zinc/84/62/72/952846272.db2.gz RXSQHXLGBLIUKP-JTQLQIEISA-N -1 1 381.404 -0.088 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)c3nccnc3N)C2)n1 ZINC001571178722 952846269 /nfs/dbraw/zinc/84/62/69/952846269.db2.gz RXSQHXLGBLIUKP-JTQLQIEISA-N -1 1 381.404 -0.088 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)c3nccnc3N)C2)n1 ZINC001571178723 952846155 /nfs/dbraw/zinc/84/61/55/952846155.db2.gz RXSQHXLGBLIUKP-SNVBAGLBSA-N -1 1 381.404 -0.088 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)c3nccnc3N)C2)n1 ZINC001571178723 952846151 /nfs/dbraw/zinc/84/61/51/952846151.db2.gz RXSQHXLGBLIUKP-SNVBAGLBSA-N -1 1 381.404 -0.088 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)c4cn(C)nn4)C[C@@H]3C2)n1 ZINC001571178730 952846915 /nfs/dbraw/zinc/84/69/15/952846915.db2.gz SBODQGMEODUPLF-PHIMTYICSA-N -1 1 381.404 -0.698 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)c4cn(C)nn4)C[C@@H]3C2)n1 ZINC001571178730 952846911 /nfs/dbraw/zinc/84/69/11/952846911.db2.gz SBODQGMEODUPLF-PHIMTYICSA-N -1 1 381.404 -0.698 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571178731 952846452 /nfs/dbraw/zinc/84/64/52/952846452.db2.gz SCGUWILSCRVLFC-CMPLNLGQSA-N -1 1 381.404 -0.474 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571178731 952846443 /nfs/dbraw/zinc/84/64/43/952846443.db2.gz SCGUWILSCRVLFC-CMPLNLGQSA-N -1 1 381.404 -0.474 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001571178739 952845949 /nfs/dbraw/zinc/84/59/49/952845949.db2.gz SGIPNOLSTWYDTB-AXFHLTTASA-N -1 1 381.404 -0.129 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001571178739 952845946 /nfs/dbraw/zinc/84/59/46/952845946.db2.gz SGIPNOLSTWYDTB-AXFHLTTASA-N -1 1 381.404 -0.129 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001571178740 952846116 /nfs/dbraw/zinc/84/61/16/952846116.db2.gz SGIPNOLSTWYDTB-DCAQKATOSA-N -1 1 381.404 -0.129 20 0 GBADMM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001571178740 952846113 /nfs/dbraw/zinc/84/61/13/952846113.db2.gz SGIPNOLSTWYDTB-DCAQKATOSA-N -1 1 381.404 -0.129 20 0 GBADMM Cn1cnc(C(=O)N[C@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571178743 952846813 /nfs/dbraw/zinc/84/68/13/952846813.db2.gz SKJPIFLSTIOPNN-HWPZZCPQSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cnc(C(=O)N[C@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571178743 952846809 /nfs/dbraw/zinc/84/68/09/952846809.db2.gz SKJPIFLSTIOPNN-HWPZZCPQSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cnc(C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571178744 952845920 /nfs/dbraw/zinc/84/59/20/952845920.db2.gz SKJPIFLSTIOPNN-MGPLVRAMSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cnc(C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571178744 952845914 /nfs/dbraw/zinc/84/59/14/952845914.db2.gz SKJPIFLSTIOPNN-MGPLVRAMSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cnc(C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571178745 952846430 /nfs/dbraw/zinc/84/64/30/952846430.db2.gz SKJPIFLSTIOPNN-QFYYESIMSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cnc(C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571178745 952846426 /nfs/dbraw/zinc/84/64/26/952846426.db2.gz SKJPIFLSTIOPNN-QFYYESIMSA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cnc(C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571178746 952845934 /nfs/dbraw/zinc/84/59/34/952845934.db2.gz SKJPIFLSTIOPNN-QLJPJBMISA-N -1 1 381.404 -0.283 20 0 GBADMM Cn1cnc(C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571178746 952845929 /nfs/dbraw/zinc/84/59/29/952845929.db2.gz SKJPIFLSTIOPNN-QLJPJBMISA-N -1 1 381.404 -0.283 20 0 GBADMM O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178769 952847253 /nfs/dbraw/zinc/84/72/53/952847253.db2.gz SZDFPMGHUTYWAL-LLVKDONJSA-N -1 1 381.404 -0.479 20 0 GBADMM O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178769 952847248 /nfs/dbraw/zinc/84/72/48/952847248.db2.gz SZDFPMGHUTYWAL-LLVKDONJSA-N -1 1 381.404 -0.479 20 0 GBADMM Cn1nncc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571178773 952847508 /nfs/dbraw/zinc/84/75/08/952847508.db2.gz TVOIZJWUKFCZEV-PHIMTYICSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571178777 952847843 /nfs/dbraw/zinc/84/78/43/952847843.db2.gz UDKDOBLKLRFGPK-QFYYESIMSA-N -1 1 381.404 -0.426 20 0 GBADMM Cn1nncc1C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571178777 952847836 /nfs/dbraw/zinc/84/78/36/952847836.db2.gz UDKDOBLKLRFGPK-QFYYESIMSA-N -1 1 381.404 -0.426 20 0 GBADMM O=C([C@@H]1CCc2nncn2C1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571178779 952847381 /nfs/dbraw/zinc/84/73/81/952847381.db2.gz UFJRFAWGFZRMTE-LLVKDONJSA-N -1 1 381.404 -0.841 20 0 GBADMM O=C([C@@H]1CCc2nncn2C1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571178779 952847375 /nfs/dbraw/zinc/84/73/75/952847375.db2.gz UFJRFAWGFZRMTE-LLVKDONJSA-N -1 1 381.404 -0.841 20 0 GBADMM O=C([C@H]1CCc2nncn2C1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571178780 952848137 /nfs/dbraw/zinc/84/81/37/952848137.db2.gz UFJRFAWGFZRMTE-NSHDSACASA-N -1 1 381.404 -0.841 20 0 GBADMM O=C([C@H]1CCc2nncn2C1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571178780 952848128 /nfs/dbraw/zinc/84/81/28/952848128.db2.gz UFJRFAWGFZRMTE-NSHDSACASA-N -1 1 381.404 -0.841 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571178801 952847439 /nfs/dbraw/zinc/84/74/39/952847439.db2.gz URTQEDBMLPWCOP-NEPJUHHUSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571178801 952847431 /nfs/dbraw/zinc/84/74/31/952847431.db2.gz URTQEDBMLPWCOP-NEPJUHHUSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571178802 952847314 /nfs/dbraw/zinc/84/73/14/952847314.db2.gz URTQEDBMLPWCOP-NWDGAFQWSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571178802 952847310 /nfs/dbraw/zinc/84/73/10/952847310.db2.gz URTQEDBMLPWCOP-NWDGAFQWSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571178803 952848369 /nfs/dbraw/zinc/84/83/69/952848369.db2.gz URTQEDBMLPWCOP-RYUDHWBXSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571178803 952848362 /nfs/dbraw/zinc/84/83/62/952848362.db2.gz URTQEDBMLPWCOP-RYUDHWBXSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571178804 952847498 /nfs/dbraw/zinc/84/74/98/952847498.db2.gz URTQEDBMLPWCOP-VXGBXAGGSA-N -1 1 381.404 -0.331 20 0 GBADMM Cn1nncc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571178804 952847494 /nfs/dbraw/zinc/84/74/94/952847494.db2.gz URTQEDBMLPWCOP-VXGBXAGGSA-N -1 1 381.404 -0.331 20 0 GBADMM O=C(Cn1cncn1)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571178812 952847549 /nfs/dbraw/zinc/84/75/49/952847549.db2.gz VGJUYNCKGKWGCL-ZBEGNZNMSA-N -1 1 381.404 -0.577 20 0 GBADMM CN(C)c1cnc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571178814 952847336 /nfs/dbraw/zinc/84/73/36/952847336.db2.gz VHDVXRRJUUFHQX-JTQLQIEISA-N -1 1 381.404 -0.739 20 0 GBADMM CN(C)c1cnc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571178815 952847217 /nfs/dbraw/zinc/84/72/17/952847217.db2.gz VHDVXRRJUUFHQX-SNVBAGLBSA-N -1 1 381.404 -0.739 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cnccn1 ZINC001571178821 952848480 /nfs/dbraw/zinc/84/84/80/952848480.db2.gz VRHHQZANOGQCEZ-LLVKDONJSA-N -1 1 381.404 -0.133 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cnccn1 ZINC001571178821 952848470 /nfs/dbraw/zinc/84/84/70/952848470.db2.gz VRHHQZANOGQCEZ-LLVKDONJSA-N -1 1 381.404 -0.133 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cnccn1 ZINC001571178822 952848213 /nfs/dbraw/zinc/84/82/13/952848213.db2.gz VRHHQZANOGQCEZ-NSHDSACASA-N -1 1 381.404 -0.133 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cnccn1 ZINC001571178822 952848207 /nfs/dbraw/zinc/84/82/07/952848207.db2.gz VRHHQZANOGQCEZ-NSHDSACASA-N -1 1 381.404 -0.133 20 0 GBADMM CCn1cc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)nn1 ZINC001571178827 952847362 /nfs/dbraw/zinc/84/73/62/952847362.db2.gz VWEZXOXRCUAHBG-PHIMTYICSA-N -1 1 381.404 -0.524 20 0 GBADMM CCn1cc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)nn1 ZINC001571178827 952847359 /nfs/dbraw/zinc/84/73/59/952847359.db2.gz VWEZXOXRCUAHBG-PHIMTYICSA-N -1 1 381.404 -0.524 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cnnn2C)n1 ZINC001571178832 952848158 /nfs/dbraw/zinc/84/81/58/952848158.db2.gz VZBRQDOKHGGETF-PHIMTYICSA-N -1 1 381.404 -0.413 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cnnn2C)n1 ZINC001571178832 952848150 /nfs/dbraw/zinc/84/81/50/952848150.db2.gz VZBRQDOKHGGETF-PHIMTYICSA-N -1 1 381.404 -0.413 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cn(C2CCC2)nn1 ZINC001571178848 952847933 /nfs/dbraw/zinc/84/79/33/952847933.db2.gz WDMNRANXSOLRKL-SNVBAGLBSA-N -1 1 381.404 -0.018 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cn(C2CCC2)nn1 ZINC001571178848 952847930 /nfs/dbraw/zinc/84/79/30/952847930.db2.gz WDMNRANXSOLRKL-SNVBAGLBSA-N -1 1 381.404 -0.018 20 0 GBADMM Cn1ncc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)c1N ZINC001571178853 952848868 /nfs/dbraw/zinc/84/88/68/952848868.db2.gz WJUKXZHBTIQBIK-AOOOYVTPSA-N -1 1 381.404 -0.819 20 0 GBADMM Cn1ncc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)c1N ZINC001571178853 952848859 /nfs/dbraw/zinc/84/88/59/952848859.db2.gz WJUKXZHBTIQBIK-AOOOYVTPSA-N -1 1 381.404 -0.819 20 0 GBADMM CCn1ncc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001571178861 952848798 /nfs/dbraw/zinc/84/87/98/952848798.db2.gz WSIHSMSSRRIGHU-RTCCRHLQSA-N -1 1 381.404 -0.620 20 0 GBADMM CCn1ncc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)n1 ZINC001571178861 952848795 /nfs/dbraw/zinc/84/87/95/952848795.db2.gz WSIHSMSSRRIGHU-RTCCRHLQSA-N -1 1 381.404 -0.620 20 0 GBADMM Cn1cc(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nn[n-]n4)cn2)C3)nn1 ZINC001571178887 952849652 /nfs/dbraw/zinc/84/96/52/952849652.db2.gz XBWSFCTXELTYMT-UHFFFAOYSA-N -1 1 381.404 -0.062 20 0 GBADMM Cn1cc(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nnn[n-]4)cn2)C3)nn1 ZINC001571178887 952849649 /nfs/dbraw/zinc/84/96/49/952849649.db2.gz XBWSFCTXELTYMT-UHFFFAOYSA-N -1 1 381.404 -0.062 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571178892 952848783 /nfs/dbraw/zinc/84/87/83/952848783.db2.gz XEARFUUOKGMMRX-INIZCTEOSA-N -1 1 381.404 -0.174 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571178893 952849947 /nfs/dbraw/zinc/84/99/47/952849947.db2.gz XEARFUUOKGMMRX-MRXNPFEDSA-N -1 1 381.404 -0.174 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2nccnc2N)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571178896 952850031 /nfs/dbraw/zinc/85/00/31/952850031.db2.gz XFWMJSBAVNSJMV-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2nccnc2N)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571178896 952850023 /nfs/dbraw/zinc/85/00/23/952850023.db2.gz XFWMJSBAVNSJMV-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2nccnc2N)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571178897 952849235 /nfs/dbraw/zinc/84/92/35/952849235.db2.gz XFWMJSBAVNSJMV-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2nccnc2N)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571178897 952849229 /nfs/dbraw/zinc/84/92/29/952849229.db2.gz XFWMJSBAVNSJMV-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2nccnc2N)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571178898 952848919 /nfs/dbraw/zinc/84/89/19/952848919.db2.gz XFWMJSBAVNSJMV-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2nccnc2N)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571178898 952848909 /nfs/dbraw/zinc/84/89/09/952848909.db2.gz XFWMJSBAVNSJMV-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2nccnc2N)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571178899 952848765 /nfs/dbraw/zinc/84/87/65/952848765.db2.gz XFWMJSBAVNSJMV-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2nccnc2N)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571178899 952848760 /nfs/dbraw/zinc/84/87/60/952848760.db2.gz XFWMJSBAVNSJMV-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)nn1 ZINC001571178900 952849717 /nfs/dbraw/zinc/84/97/17/952849717.db2.gz XGTKSOXQTHHPLJ-XWIASGKRSA-N -1 1 381.404 -0.192 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)nn1 ZINC001571178900 952849712 /nfs/dbraw/zinc/84/97/12/952849712.db2.gz XGTKSOXQTHHPLJ-XWIASGKRSA-N -1 1 381.404 -0.192 20 0 GBADMM C[C@@]12CN(C(=O)c3nc[nH]n3)C[C@]1(C)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571178906 952848840 /nfs/dbraw/zinc/84/88/40/952848840.db2.gz XLKPWZKFVMJPNS-IYBDPMFKSA-N -1 1 381.404 -0.237 20 0 GBADMM Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571178923 952849894 /nfs/dbraw/zinc/84/98/94/952849894.db2.gz YITUCECIPINJLX-RYUDHWBXSA-N -1 1 381.404 -0.793 20 0 GBADMM Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571178923 952849887 /nfs/dbraw/zinc/84/98/87/952849887.db2.gz YITUCECIPINJLX-RYUDHWBXSA-N -1 1 381.404 -0.793 20 0 GBADMM O=C(Cc1nnc[nH]1)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571178927 952849977 /nfs/dbraw/zinc/84/99/77/952849977.db2.gz YKOOUMPEFHJICP-WDEREUQCSA-N -1 1 381.404 -0.555 20 0 GBADMM O=C(c1cn[nH]n1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571178940 952850610 /nfs/dbraw/zinc/85/06/10/952850610.db2.gz YQKWHWWGMMRPHT-CMPLNLGQSA-N -1 1 381.404 -0.094 20 0 GBADMM O=C(c1cn[nH]n1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571178941 952850509 /nfs/dbraw/zinc/85/05/09/952850509.db2.gz YQKWHWWGMMRPHT-JQWIXIFHSA-N -1 1 381.404 -0.094 20 0 GBADMM O=C(c1cn[nH]n1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571178942 952851008 /nfs/dbraw/zinc/85/10/08/952851008.db2.gz YQKWHWWGMMRPHT-PWSUYJOCSA-N -1 1 381.404 -0.094 20 0 GBADMM O=C(c1cn[nH]n1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571178943 952850732 /nfs/dbraw/zinc/85/07/32/952850732.db2.gz YQKWHWWGMMRPHT-ZYHUDNBSSA-N -1 1 381.404 -0.094 20 0 GBADMM O=C(c1cccnc1)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178957 952850906 /nfs/dbraw/zinc/85/09/06/952850906.db2.gz ZBLBWICNYGYBQV-CYBMUJFWSA-N -1 1 381.400 -0.183 20 0 GBADMM O=C(c1cccnc1)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178958 952851274 /nfs/dbraw/zinc/85/12/74/952851274.db2.gz ZBLBWICNYGYBQV-ZDUSSCGKSA-N -1 1 381.400 -0.183 20 0 GBADMM CCn1ncc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)n1 ZINC001571178963 952850881 /nfs/dbraw/zinc/85/08/81/952850881.db2.gz ZGCNBYHZQUDZEU-PHIMTYICSA-N -1 1 381.404 -0.524 20 0 GBADMM CCn1ncc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)n1 ZINC001571178963 952850876 /nfs/dbraw/zinc/85/08/76/952850876.db2.gz ZGCNBYHZQUDZEU-PHIMTYICSA-N -1 1 381.404 -0.524 20 0 GBADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cn(C2CCC2)nn1 ZINC001571178964 952850665 /nfs/dbraw/zinc/85/06/65/952850665.db2.gz ZGJUCJDFSSWPAX-JTQLQIEISA-N -1 1 381.404 -0.018 20 0 GBADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cn(C2CCC2)nn1 ZINC001571178964 952850660 /nfs/dbraw/zinc/85/06/60/952850660.db2.gz ZGJUCJDFSSWPAX-JTQLQIEISA-N -1 1 381.404 -0.018 20 0 GBADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cn(C2CCC2)nn1 ZINC001571178965 952850826 /nfs/dbraw/zinc/85/08/26/952850826.db2.gz ZGJUCJDFSSWPAX-SNVBAGLBSA-N -1 1 381.404 -0.018 20 0 GBADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cn(C2CCC2)nn1 ZINC001571178965 952850823 /nfs/dbraw/zinc/85/08/23/952850823.db2.gz ZGJUCJDFSSWPAX-SNVBAGLBSA-N -1 1 381.404 -0.018 20 0 GBADMM Cn1ncc(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001571178974 952850792 /nfs/dbraw/zinc/85/07/92/952850792.db2.gz ZRPUZHDDXVAMOE-CMPLNLGQSA-N -1 1 381.404 -0.474 20 0 GBADMM Cn1ncc(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001571178974 952850789 /nfs/dbraw/zinc/85/07/89/952850789.db2.gz ZRPUZHDDXVAMOE-CMPLNLGQSA-N -1 1 381.404 -0.474 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)c1-c1nn[n-]n1 ZINC001571182844 952869520 /nfs/dbraw/zinc/86/95/20/952869520.db2.gz HNPYVRSGKYFZDD-JTQLQIEISA-N -1 1 381.418 -0.049 20 0 GBADMM Cc1onc(CC(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)c1-c1nnn[n-]1 ZINC001571182844 952869517 /nfs/dbraw/zinc/86/95/17/952869517.db2.gz HNPYVRSGKYFZDD-JTQLQIEISA-N -1 1 381.418 -0.049 20 0 GBADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001571182872 952869343 /nfs/dbraw/zinc/86/93/43/952869343.db2.gz IHABXORADKYGMC-SECBINFHSA-N -1 1 381.418 -0.713 20 0 GBADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001571182873 952869540 /nfs/dbraw/zinc/86/95/40/952869540.db2.gz IHABXORADKYGMC-VIFPVBQESA-N -1 1 381.418 -0.713 20 0 GBADMM CNC(=O)NC[C@@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001571183121 952874430 /nfs/dbraw/zinc/87/44/30/952874430.db2.gz PEDAJERWSWMUPM-MRVPVSSYSA-N -1 1 381.422 -0.837 20 0 GBADMM CNC(=O)NC[C@@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001571183121 952874424 /nfs/dbraw/zinc/87/44/24/952874424.db2.gz PEDAJERWSWMUPM-MRVPVSSYSA-N -1 1 381.422 -0.837 20 0 GBADMM CNC(=O)NC[C@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001571183122 952874230 /nfs/dbraw/zinc/87/42/30/952874230.db2.gz PEDAJERWSWMUPM-QMMMGPOBSA-N -1 1 381.422 -0.837 20 0 GBADMM CNC(=O)NC[C@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001571183122 952874226 /nfs/dbraw/zinc/87/42/26/952874226.db2.gz PEDAJERWSWMUPM-QMMMGPOBSA-N -1 1 381.422 -0.837 20 0 GBADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC001571183184 952874080 /nfs/dbraw/zinc/87/40/80/952874080.db2.gz RSNYIHXMGQHCCU-SECBINFHSA-N -1 1 381.418 -0.570 20 0 GBADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC001571183185 952874026 /nfs/dbraw/zinc/87/40/26/952874026.db2.gz RSNYIHXMGQHCCU-VIFPVBQESA-N -1 1 381.418 -0.570 20 0 GBADMM O=C(Cn1ncnn1)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571190083 952939889 /nfs/dbraw/zinc/93/98/89/952939889.db2.gz DXCKUYPETGHGDV-LURJTMIESA-N -1 1 381.813 -0.324 20 0 GBADMM O=C(Cn1ncnn1)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571190083 952939885 /nfs/dbraw/zinc/93/98/85/952939885.db2.gz DXCKUYPETGHGDV-LURJTMIESA-N -1 1 381.813 -0.324 20 0 GBADMM O=C(Cn1ncnn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571190084 952939489 /nfs/dbraw/zinc/93/94/89/952939489.db2.gz DXCKUYPETGHGDV-ZCFIWIBFSA-N -1 1 381.813 -0.324 20 0 GBADMM O=C(Cn1ncnn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571190084 952939483 /nfs/dbraw/zinc/93/94/83/952939483.db2.gz DXCKUYPETGHGDV-ZCFIWIBFSA-N -1 1 381.813 -0.324 20 0 GBADMM O=C(Cn1cnnn1)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571190090 952939408 /nfs/dbraw/zinc/93/94/08/952939408.db2.gz FEBVZYKJFGHEMV-IZLXSQMJSA-N -1 1 381.813 -0.278 20 0 GBADMM O=C(Cn1cnnn1)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571190513 952943274 /nfs/dbraw/zinc/94/32/74/952943274.db2.gz KMASLPYTZYSHRT-LURJTMIESA-N -1 1 381.813 -0.642 20 0 GBADMM O=C(Cn1cnnn1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571190514 952942886 /nfs/dbraw/zinc/94/28/86/952942886.db2.gz KMASLPYTZYSHRT-ZCFIWIBFSA-N -1 1 381.813 -0.642 20 0 GBADMM Cn1nnc(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571191730 952947760 /nfs/dbraw/zinc/94/77/60/952947760.db2.gz RUCBOXBHKWKXIO-SYDPRGILSA-N -1 1 381.813 -0.127 20 0 GBADMM Cn1nnc(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571191730 952947754 /nfs/dbraw/zinc/94/77/54/952947754.db2.gz RUCBOXBHKWKXIO-SYDPRGILSA-N -1 1 381.813 -0.127 20 0 GBADMM Cn1nnc(C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)n1 ZINC001571192234 952949278 /nfs/dbraw/zinc/94/92/78/952949278.db2.gz VHZCRNQENFDCLT-URHBZAFASA-N -1 1 381.813 -0.127 20 0 GBADMM Cn1nnc(C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)n1 ZINC001571192234 952949274 /nfs/dbraw/zinc/94/92/74/952949274.db2.gz VHZCRNQENFDCLT-URHBZAFASA-N -1 1 381.813 -0.127 20 0 GBADMM Cn1nnc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571192809 952949563 /nfs/dbraw/zinc/94/95/63/952949563.db2.gz WJNLPQMBPFBBFQ-RXMQYKEDSA-N -1 1 381.813 -0.491 20 0 GBADMM Cn1nnc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571192809 952949558 /nfs/dbraw/zinc/94/95/58/952949558.db2.gz WJNLPQMBPFBBFQ-RXMQYKEDSA-N -1 1 381.813 -0.491 20 0 GBADMM Cn1nnc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571192810 952950318 /nfs/dbraw/zinc/95/03/18/952950318.db2.gz WJNLPQMBPFBBFQ-YFKPBYRVSA-N -1 1 381.813 -0.491 20 0 GBADMM Cn1nnc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571192810 952950316 /nfs/dbraw/zinc/95/03/16/952950316.db2.gz WJNLPQMBPFBBFQ-YFKPBYRVSA-N -1 1 381.813 -0.491 20 0 GBADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1cn[nH]c(=O)c1 ZINC001571193714 952951704 /nfs/dbraw/zinc/95/17/04/952951704.db2.gz ABERUBKTAXGAJU-LLVKDONJSA-N -1 1 382.388 -0.059 20 0 GBADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1cn[nH]c(=O)c1 ZINC001571193714 952951700 /nfs/dbraw/zinc/95/17/00/952951700.db2.gz ABERUBKTAXGAJU-LLVKDONJSA-N -1 1 382.388 -0.059 20 0 GBADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1cn[nH]c(=O)c1 ZINC001571193715 952952233 /nfs/dbraw/zinc/95/22/33/952952233.db2.gz ABERUBKTAXGAJU-NSHDSACASA-N -1 1 382.388 -0.059 20 0 GBADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1cn[nH]c(=O)c1 ZINC001571193715 952952229 /nfs/dbraw/zinc/95/22/29/952952229.db2.gz ABERUBKTAXGAJU-NSHDSACASA-N -1 1 382.388 -0.059 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001571193722 952952057 /nfs/dbraw/zinc/95/20/57/952952057.db2.gz AGVZSYXNLFNBFZ-JTQLQIEISA-N -1 1 382.388 -0.404 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001571193722 952952050 /nfs/dbraw/zinc/95/20/50/952952050.db2.gz AGVZSYXNLFNBFZ-JTQLQIEISA-N -1 1 382.388 -0.404 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001571193723 952952342 /nfs/dbraw/zinc/95/23/42/952952342.db2.gz AGVZSYXNLFNBFZ-SNVBAGLBSA-N -1 1 382.388 -0.404 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001571193723 952952338 /nfs/dbraw/zinc/95/23/38/952952338.db2.gz AGVZSYXNLFNBFZ-SNVBAGLBSA-N -1 1 382.388 -0.404 20 0 GBADMM COc1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571193728 952952272 /nfs/dbraw/zinc/95/22/72/952952272.db2.gz ALJATRKGHRHIGW-INIZCTEOSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571193728 952952265 /nfs/dbraw/zinc/95/22/65/952952265.db2.gz ALJATRKGHRHIGW-INIZCTEOSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571193729 952951930 /nfs/dbraw/zinc/95/19/30/952951930.db2.gz ALJATRKGHRHIGW-MRXNPFEDSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571193729 952951928 /nfs/dbraw/zinc/95/19/28/952951928.db2.gz ALJATRKGHRHIGW-MRXNPFEDSA-N -1 1 382.388 -0.146 20 0 GBADMM Cc1cc(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571193731 952951743 /nfs/dbraw/zinc/95/17/43/952951743.db2.gz AMQBSYJYCHJQQU-LLVKDONJSA-N -1 1 382.388 -0.870 20 0 GBADMM Cc1cc(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571193732 952952449 /nfs/dbraw/zinc/95/24/49/952952449.db2.gz AMQBSYJYCHJQQU-NSHDSACASA-N -1 1 382.388 -0.870 20 0 GBADMM COc1ccc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)nn1 ZINC001571193733 952951754 /nfs/dbraw/zinc/95/17/54/952951754.db2.gz AQJILXSEIRGGEU-SNVBAGLBSA-N -1 1 382.388 -0.406 20 0 GBADMM Cn1cnc(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571193735 952952090 /nfs/dbraw/zinc/95/20/90/952952090.db2.gz ARHVFRPIQMTQPN-UHFFFAOYSA-N -1 1 382.388 -0.629 20 0 GBADMM Cn1cnc(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571193735 952952081 /nfs/dbraw/zinc/95/20/81/952952081.db2.gz ARHVFRPIQMTQPN-UHFFFAOYSA-N -1 1 382.388 -0.629 20 0 GBADMM COc1cnc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571193736 952952193 /nfs/dbraw/zinc/95/21/93/952952193.db2.gz ASMWBBUZBVOXLD-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1cnc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571193736 952952181 /nfs/dbraw/zinc/95/21/81/952952181.db2.gz ASMWBBUZBVOXLD-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1cnc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571193737 952952290 /nfs/dbraw/zinc/95/22/90/952952290.db2.gz ASMWBBUZBVOXLD-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM COc1cnc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571193737 952952281 /nfs/dbraw/zinc/95/22/81/952952281.db2.gz ASMWBBUZBVOXLD-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM CO[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cnccn1 ZINC001571193751 952952583 /nfs/dbraw/zinc/95/25/83/952952583.db2.gz BDYKGXKBXRNQFE-CHWSQXEVSA-N -1 1 382.388 -0.611 20 0 GBADMM CO[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cnccn1 ZINC001571193751 952952580 /nfs/dbraw/zinc/95/25/80/952952580.db2.gz BDYKGXKBXRNQFE-CHWSQXEVSA-N -1 1 382.388 -0.611 20 0 GBADMM O=C(c1ncccn1)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571193753 952951635 /nfs/dbraw/zinc/95/16/35/952951635.db2.gz BFZNZHXMKUELJG-LLVKDONJSA-N -1 1 382.388 -0.788 20 0 GBADMM O=C(c1ncccn1)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571193754 952951889 /nfs/dbraw/zinc/95/18/89/952951889.db2.gz BFZNZHXMKUELJG-NSHDSACASA-N -1 1 382.388 -0.788 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn2c1OCCC2 ZINC001571193758 952952482 /nfs/dbraw/zinc/95/24/82/952952482.db2.gz BMDJLFKBRVIMBZ-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM COc1cncc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571193763 952951808 /nfs/dbraw/zinc/95/18/08/952951808.db2.gz BSPTVTAYWLZMGH-INIZCTEOSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cncc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571193764 952951941 /nfs/dbraw/zinc/95/19/41/952951941.db2.gz BSPTVTAYWLZMGH-MRXNPFEDSA-N -1 1 382.388 -0.146 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571193765 952952516 /nfs/dbraw/zinc/95/25/16/952952516.db2.gz BVEHLMGMUOJLKD-AOOOYVTPSA-N -1 1 382.388 -0.113 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571193770 952951872 /nfs/dbraw/zinc/95/18/72/952951872.db2.gz BXTAPTWAJMLXFH-JTQLQIEISA-N -1 1 382.388 -0.188 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](N(C)C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571193770 952951870 /nfs/dbraw/zinc/95/18/70/952951870.db2.gz BXTAPTWAJMLXFH-JTQLQIEISA-N -1 1 382.388 -0.188 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N(C)C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571193771 952951923 /nfs/dbraw/zinc/95/19/23/952951923.db2.gz BXTAPTWAJMLXFH-SNVBAGLBSA-N -1 1 382.388 -0.188 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](N(C)C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571193771 952951921 /nfs/dbraw/zinc/95/19/21/952951921.db2.gz BXTAPTWAJMLXFH-SNVBAGLBSA-N -1 1 382.388 -0.188 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3cc4n(n3)CCO4)C2)n1 ZINC001571193772 952951721 /nfs/dbraw/zinc/95/17/21/952951721.db2.gz BXTUXZRRRXQAGO-MGCOHNPYSA-N -1 1 382.388 -0.073 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3cc4n(n3)CCO4)C2)n1 ZINC001571193772 952951716 /nfs/dbraw/zinc/95/17/16/952951716.db2.gz BXTUXZRRRXQAGO-MGCOHNPYSA-N -1 1 382.388 -0.073 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571193773 952951687 /nfs/dbraw/zinc/95/16/87/952951687.db2.gz BZSNSVQYFKZJEW-JTQLQIEISA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571193773 952951684 /nfs/dbraw/zinc/95/16/84/952951684.db2.gz BZSNSVQYFKZJEW-JTQLQIEISA-N -1 1 382.388 -0.290 20 0 GBADMM Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1[O-] ZINC001571193778 952953762 /nfs/dbraw/zinc/95/37/62/952953762.db2.gz CDNLBKBKPLDSCE-OWUUHHOZSA-N -1 1 382.388 -0.494 20 0 GBADMM Cn1nnc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571193780 952953155 /nfs/dbraw/zinc/95/31/55/952953155.db2.gz CEXIRQACZYBSCH-NXEZZACHSA-N -1 1 382.392 -0.936 20 0 GBADMM Cn1nnc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571193781 952952899 /nfs/dbraw/zinc/95/28/99/952952899.db2.gz CEXIRQACZYBSCH-UWVGGRQHSA-N -1 1 382.392 -0.936 20 0 GBADMM Cn1nnc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571193782 952952956 /nfs/dbraw/zinc/95/29/56/952952956.db2.gz CEXIRQACZYBSCH-VHSXEESVSA-N -1 1 382.392 -0.936 20 0 GBADMM Cn1nnc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571193783 952953144 /nfs/dbraw/zinc/95/31/44/952953144.db2.gz CEXIRQACZYBSCH-ZJUUUORDSA-N -1 1 382.392 -0.936 20 0 GBADMM COc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571193787 952953336 /nfs/dbraw/zinc/95/33/36/952953336.db2.gz CHCXZSMUUWPGOB-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571193787 952953332 /nfs/dbraw/zinc/95/33/32/952953332.db2.gz CHCXZSMUUWPGOB-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571193797 952953042 /nfs/dbraw/zinc/95/30/42/952953042.db2.gz CTUPDXSXLBLKTE-JTQLQIEISA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571193797 952953036 /nfs/dbraw/zinc/95/30/36/952953036.db2.gz CTUPDXSXLBLKTE-JTQLQIEISA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571193798 952953265 /nfs/dbraw/zinc/95/32/65/952953265.db2.gz CTUPDXSXLBLKTE-SNVBAGLBSA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571193798 952953261 /nfs/dbraw/zinc/95/32/61/952953261.db2.gz CTUPDXSXLBLKTE-SNVBAGLBSA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn2c1OCCC2 ZINC001571193799 952953346 /nfs/dbraw/zinc/95/33/46/952953346.db2.gz CWXGVJHPRVOXCV-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn2c1OCCC2 ZINC001571193799 952953343 /nfs/dbraw/zinc/95/33/43/952953343.db2.gz CWXGVJHPRVOXCV-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn2c1OCCC2 ZINC001571193800 952953598 /nfs/dbraw/zinc/95/35/98/952953598.db2.gz CWXGVJHPRVOXCV-SNVBAGLBSA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn2c1OCCC2 ZINC001571193800 952953595 /nfs/dbraw/zinc/95/35/95/952953595.db2.gz CWXGVJHPRVOXCV-SNVBAGLBSA-N -1 1 382.388 -0.356 20 0 GBADMM COc1nccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571193801 952953311 /nfs/dbraw/zinc/95/33/11/952953311.db2.gz CXMRSCPICQHQQL-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1nccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571193801 952953307 /nfs/dbraw/zinc/95/33/07/952953307.db2.gz CXMRSCPICQHQQL-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1nccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571193802 952953738 /nfs/dbraw/zinc/95/37/38/952953738.db2.gz CXMRSCPICQHQQL-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1nccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571193802 952953734 /nfs/dbraw/zinc/95/37/34/952953734.db2.gz CXMRSCPICQHQQL-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571193803 952953299 /nfs/dbraw/zinc/95/32/99/952953299.db2.gz CYKDZHJLRFDMCL-SNVBAGLBSA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571193803 952953296 /nfs/dbraw/zinc/95/32/96/952953296.db2.gz CYKDZHJLRFDMCL-SNVBAGLBSA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnc[nH]c1=O ZINC001571193804 952953449 /nfs/dbraw/zinc/95/34/49/952953449.db2.gz CZXXTDZXIJYSPE-NXEZZACHSA-N -1 1 382.388 -0.415 20 0 GBADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnc[nH]c1=O ZINC001571193805 952952874 /nfs/dbraw/zinc/95/28/74/952952874.db2.gz CZXXTDZXIJYSPE-UWVGGRQHSA-N -1 1 382.388 -0.415 20 0 GBADMM O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnc[nH]c1=O ZINC001571193806 952953368 /nfs/dbraw/zinc/95/33/68/952953368.db2.gz CZXXTDZXIJYSPE-VHSXEESVSA-N -1 1 382.388 -0.415 20 0 GBADMM O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnc[nH]c1=O ZINC001571193807 952953744 /nfs/dbraw/zinc/95/37/44/952953744.db2.gz CZXXTDZXIJYSPE-ZJUUUORDSA-N -1 1 382.388 -0.415 20 0 GBADMM Cn1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1=O ZINC001571193808 952953224 /nfs/dbraw/zinc/95/32/24/952953224.db2.gz CZZQRQHIYAAGMV-INIZCTEOSA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1=O ZINC001571193808 952953222 /nfs/dbraw/zinc/95/32/22/952953222.db2.gz CZZQRQHIYAAGMV-INIZCTEOSA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1=O ZINC001571193809 952953253 /nfs/dbraw/zinc/95/32/53/952953253.db2.gz CZZQRQHIYAAGMV-MRXNPFEDSA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1=O ZINC001571193809 952953250 /nfs/dbraw/zinc/95/32/50/952953250.db2.gz CZZQRQHIYAAGMV-MRXNPFEDSA-N -1 1 382.388 -0.851 20 0 GBADMM COc1nccc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571193810 952953435 /nfs/dbraw/zinc/95/34/35/952953435.db2.gz DACAHEDKLFGHKV-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1nccc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571193811 952953058 /nfs/dbraw/zinc/95/30/58/952953058.db2.gz DACAHEDKLFGHKV-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM Cn1nnc(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nn[n-]n2)C3)n1 ZINC001571193821 952953521 /nfs/dbraw/zinc/95/35/21/952953521.db2.gz DJQHGAJFZVBVMZ-UHFFFAOYSA-N -1 1 382.392 -0.667 20 0 GBADMM Cn1nnc(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nnn[n-]2)C3)n1 ZINC001571193821 952953518 /nfs/dbraw/zinc/95/35/18/952953518.db2.gz DJQHGAJFZVBVMZ-UHFFFAOYSA-N -1 1 382.392 -0.667 20 0 GBADMM O=C(c1cncnc1)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571193822 952953275 /nfs/dbraw/zinc/95/32/75/952953275.db2.gz DMOXTYMGKNHXHK-GFCCVEGCSA-N -1 1 382.388 -0.788 20 0 GBADMM O=C(c1cncnc1)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571193823 952953573 /nfs/dbraw/zinc/95/35/73/952953573.db2.gz DMOXTYMGKNHXHK-LBPRGKRZSA-N -1 1 382.388 -0.788 20 0 GBADMM CN(C(=O)c1ccc(=O)n(C)n1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571193824 952952991 /nfs/dbraw/zinc/95/29/91/952952991.db2.gz DNIQSAQKZKKMDK-UHFFFAOYSA-N -1 1 382.388 -0.535 20 0 GBADMM CN(C(=O)c1ccc(=O)n(C)n1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571193824 952952984 /nfs/dbraw/zinc/95/29/84/952952984.db2.gz DNIQSAQKZKKMDK-UHFFFAOYSA-N -1 1 382.388 -0.535 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001571193826 952953691 /nfs/dbraw/zinc/95/36/91/952953691.db2.gz DOEHSUAZFJWZRF-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001571193826 952953685 /nfs/dbraw/zinc/95/36/85/952953685.db2.gz DOEHSUAZFJWZRF-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001571193827 952953534 /nfs/dbraw/zinc/95/35/34/952953534.db2.gz DOEHSUAZFJWZRF-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001571193827 952953530 /nfs/dbraw/zinc/95/35/30/952953530.db2.gz DOEHSUAZFJWZRF-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM COc1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571193828 952953079 /nfs/dbraw/zinc/95/30/79/952953079.db2.gz DPHNOAFKRSKCMJ-NSHDSACASA-N -1 1 382.388 -0.146 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)nn1 ZINC001571193836 952953502 /nfs/dbraw/zinc/95/35/02/952953502.db2.gz DWOAEMJCJQMNLP-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)nn1 ZINC001571193836 952953496 /nfs/dbraw/zinc/95/34/96/952953496.db2.gz DWOAEMJCJQMNLP-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)nn1 ZINC001571193837 952953777 /nfs/dbraw/zinc/95/37/77/952953777.db2.gz DWOAEMJCJQMNLP-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)nn1 ZINC001571193837 952953774 /nfs/dbraw/zinc/95/37/74/952953774.db2.gz DWOAEMJCJQMNLP-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(=O)[nH]n1 ZINC001571193840 952952827 /nfs/dbraw/zinc/95/28/27/952952827.db2.gz FBSJCFMIJAEGAR-JTQLQIEISA-N -1 1 382.388 -0.201 20 0 GBADMM O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(=O)[nH]n1 ZINC001571193841 952952840 /nfs/dbraw/zinc/95/28/40/952952840.db2.gz FBSJCFMIJAEGAR-SNVBAGLBSA-N -1 1 382.388 -0.201 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571193842 952953361 /nfs/dbraw/zinc/95/33/61/952953361.db2.gz FDIJGFLLDVXMEI-SNVBAGLBSA-N -1 1 382.388 -0.228 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571193842 952953357 /nfs/dbraw/zinc/95/33/57/952953357.db2.gz FDIJGFLLDVXMEI-SNVBAGLBSA-N -1 1 382.388 -0.228 20 0 GBADMM COc1ccc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571193843 952953403 /nfs/dbraw/zinc/95/34/03/952953403.db2.gz FHOKUFGSTJPHAN-JTQLQIEISA-N -1 1 382.388 -0.549 20 0 GBADMM COc1ccc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571193844 952953020 /nfs/dbraw/zinc/95/30/20/952953020.db2.gz FHOKUFGSTJPHAN-SNVBAGLBSA-N -1 1 382.388 -0.549 20 0 GBADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001571193846 952953184 /nfs/dbraw/zinc/95/31/84/952953184.db2.gz FJDUDBCDJVDKQL-UHFFFAOYSA-N -1 1 382.388 -0.153 20 0 GBADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001571193846 952953180 /nfs/dbraw/zinc/95/31/80/952953180.db2.gz FJDUDBCDJVDKQL-UHFFFAOYSA-N -1 1 382.388 -0.153 20 0 GBADMM COc1cnc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571193847 952953608 /nfs/dbraw/zinc/95/36/08/952953608.db2.gz FKOGJRRCPDLPRR-JTQLQIEISA-N -1 1 382.388 -0.406 20 0 GBADMM COc1cnc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571193848 952953508 /nfs/dbraw/zinc/95/35/08/952953508.db2.gz FKOGJRRCPDLPRR-SNVBAGLBSA-N -1 1 382.388 -0.406 20 0 GBADMM O=C(c1ncccn1)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571193849 952952924 /nfs/dbraw/zinc/95/29/24/952952924.db2.gz FLEGVUGFZPETBR-UHFFFAOYSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1ncccn1)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571193849 952952918 /nfs/dbraw/zinc/95/29/18/952952918.db2.gz FLEGVUGFZPETBR-UHFFFAOYSA-N -1 1 382.388 -0.474 20 0 GBADMM Cn1nc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ccc1=O ZINC001571193850 952953647 /nfs/dbraw/zinc/95/36/47/952953647.db2.gz FLJQMIIGRZCDNH-MGCOHNPYSA-N -1 1 382.388 -0.629 20 0 GBADMM Cn1nc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ccc1=O ZINC001571193850 952953640 /nfs/dbraw/zinc/95/36/40/952953640.db2.gz FLJQMIIGRZCDNH-MGCOHNPYSA-N -1 1 382.388 -0.629 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(=O)[nH]n1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571193852 952953319 /nfs/dbraw/zinc/95/33/19/952953319.db2.gz FMUKESFPFXNSDD-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(=O)[nH]n1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571193852 952953315 /nfs/dbraw/zinc/95/33/15/952953315.db2.gz FMUKESFPFXNSDD-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1ccc(=O)[nH]n1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571193853 952953675 /nfs/dbraw/zinc/95/36/75/952953675.db2.gz FMUKESFPFXNSDD-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1ccc(=O)[nH]n1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571193853 952953670 /nfs/dbraw/zinc/95/36/70/952953670.db2.gz FMUKESFPFXNSDD-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001571193855 952953201 /nfs/dbraw/zinc/95/32/01/952953201.db2.gz FNITYTFNUODBGJ-JTQLQIEISA-N -1 1 382.388 -0.932 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001571193855 952953198 /nfs/dbraw/zinc/95/31/98/952953198.db2.gz FNITYTFNUODBGJ-JTQLQIEISA-N -1 1 382.388 -0.932 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571193857 952952937 /nfs/dbraw/zinc/95/29/37/952952937.db2.gz FNLVEUOWCKRURJ-OWUUHHOZSA-N -1 1 382.388 -0.494 20 0 GBADMM COc1nccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001571193860 952954610 /nfs/dbraw/zinc/95/46/10/952954610.db2.gz FORYHJBUSPEICX-BXKDBHETSA-N -1 1 382.388 -0.290 20 0 GBADMM COc1nccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)n1 ZINC001571193860 952954608 /nfs/dbraw/zinc/95/46/08/952954608.db2.gz FORYHJBUSPEICX-BXKDBHETSA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(c1ccncn1)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571193866 952954839 /nfs/dbraw/zinc/95/48/39/952954839.db2.gz FSPQSFWUTYDUSW-INIZCTEOSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1ccncn1)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571193866 952954834 /nfs/dbraw/zinc/95/48/34/952954834.db2.gz FSPQSFWUTYDUSW-INIZCTEOSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1ccncn1)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571193867 952954732 /nfs/dbraw/zinc/95/47/32/952954732.db2.gz FSPQSFWUTYDUSW-MRXNPFEDSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1ccncn1)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571193867 952954730 /nfs/dbraw/zinc/95/47/30/952954730.db2.gz FSPQSFWUTYDUSW-MRXNPFEDSA-N -1 1 382.388 -0.474 20 0 GBADMM CCOc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571193868 952954663 /nfs/dbraw/zinc/95/46/63/952954663.db2.gz FTLYNWHOKIELRB-UWVGGRQHSA-N -1 1 382.388 -0.118 20 0 GBADMM O=C(NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)c1ccncn1 ZINC001571193869 952954619 /nfs/dbraw/zinc/95/46/19/952954619.db2.gz FTXSKKMHJSQBFC-LLVKDONJSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)c1ccncn1 ZINC001571193869 952954615 /nfs/dbraw/zinc/95/46/15/952954615.db2.gz FTXSKKMHJSQBFC-LLVKDONJSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)c1ccncn1 ZINC001571193870 952954763 /nfs/dbraw/zinc/95/47/63/952954763.db2.gz FTXSKKMHJSQBFC-NSHDSACASA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)c1ccncn1 ZINC001571193870 952954761 /nfs/dbraw/zinc/95/47/61/952954761.db2.gz FTXSKKMHJSQBFC-NSHDSACASA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)c1c[nH]c(=O)cn1 ZINC001571193879 952954646 /nfs/dbraw/zinc/95/46/46/952954646.db2.gz FYQSJLDVHUBMKB-NXEZZACHSA-N -1 1 382.388 -0.107 20 0 GBADMM O=C(N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)c1c[nH]c(=O)cn1 ZINC001571193879 952954644 /nfs/dbraw/zinc/95/46/44/952954644.db2.gz FYQSJLDVHUBMKB-NXEZZACHSA-N -1 1 382.388 -0.107 20 0 GBADMM COc1cnc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571193880 952954710 /nfs/dbraw/zinc/95/47/10/952954710.db2.gz GAXJYRNYVWHLID-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571193880 952954705 /nfs/dbraw/zinc/95/47/05/952954705.db2.gz GAXJYRNYVWHLID-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571193881 952954577 /nfs/dbraw/zinc/95/45/77/952954577.db2.gz GAXJYRNYVWHLID-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571193881 952954574 /nfs/dbraw/zinc/95/45/74/952954574.db2.gz GAXJYRNYVWHLID-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM Cc1nccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571193883 952954242 /nfs/dbraw/zinc/95/42/42/952954242.db2.gz GDYMWCKOTIDNNA-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571193883 952954238 /nfs/dbraw/zinc/95/42/38/952954238.db2.gz GDYMWCKOTIDNNA-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nccc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571193885 952954938 /nfs/dbraw/zinc/95/49/38/952954938.db2.gz GDYMWCKOTIDNNA-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nccc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571193885 952954933 /nfs/dbraw/zinc/95/49/33/952954933.db2.gz GDYMWCKOTIDNNA-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc2n(n1)CCO2 ZINC001571193894 952954436 /nfs/dbraw/zinc/95/44/36/952954436.db2.gz GMBQXSMHBJXDJD-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc2n(n1)CCO2 ZINC001571193894 952954433 /nfs/dbraw/zinc/95/44/33/952954433.db2.gz GMBQXSMHBJXDJD-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc2n(n1)CCO2 ZINC001571193896 952954128 /nfs/dbraw/zinc/95/41/28/952954128.db2.gz GMBQXSMHBJXDJD-SNVBAGLBSA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc2n(n1)CCO2 ZINC001571193896 952954124 /nfs/dbraw/zinc/95/41/24/952954124.db2.gz GMBQXSMHBJXDJD-SNVBAGLBSA-N -1 1 382.388 -0.356 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)n2C)n1 ZINC001571193898 952954145 /nfs/dbraw/zinc/95/41/45/952954145.db2.gz GMELBZXRSWYGPH-UWVGGRQHSA-N -1 1 382.388 -0.492 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)n2C)n1 ZINC001571193898 952954139 /nfs/dbraw/zinc/95/41/39/952954139.db2.gz GMELBZXRSWYGPH-UWVGGRQHSA-N -1 1 382.388 -0.492 20 0 GBADMM COc1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001571193908 952954630 /nfs/dbraw/zinc/95/46/30/952954630.db2.gz GNRSHOTYRRLZRM-INIZCTEOSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001571193908 952954626 /nfs/dbraw/zinc/95/46/26/952954626.db2.gz GNRSHOTYRRLZRM-INIZCTEOSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001571193910 952954503 /nfs/dbraw/zinc/95/45/03/952954503.db2.gz GNRSHOTYRRLZRM-MRXNPFEDSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001571193910 952954499 /nfs/dbraw/zinc/95/44/99/952954499.db2.gz GNRSHOTYRRLZRM-MRXNPFEDSA-N -1 1 382.388 -0.146 20 0 GBADMM NC(=O)c1ccc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC001571193912 952955000 /nfs/dbraw/zinc/95/50/00/952955000.db2.gz GPDBKTLRPUPCAM-UHFFFAOYSA-N -1 1 382.388 -0.564 20 0 GBADMM NC(=O)c1ccc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)[nH]1 ZINC001571193912 952954993 /nfs/dbraw/zinc/95/49/93/952954993.db2.gz GPDBKTLRPUPCAM-UHFFFAOYSA-N -1 1 382.388 -0.564 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571193914 952954921 /nfs/dbraw/zinc/95/49/21/952954921.db2.gz GPPJZZQXCOOUPS-LLVKDONJSA-N -1 1 382.388 -0.140 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571193914 952954917 /nfs/dbraw/zinc/95/49/17/952954917.db2.gz GPPJZZQXCOOUPS-LLVKDONJSA-N -1 1 382.388 -0.140 20 0 GBADMM Cc1cnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cn1 ZINC001571193918 952954324 /nfs/dbraw/zinc/95/43/24/952954324.db2.gz GQHXEJDDMVIBCW-CMPLNLGQSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1cnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cn1 ZINC001571193919 952954980 /nfs/dbraw/zinc/95/49/80/952954980.db2.gz GQHXEJDDMVIBCW-JQWIXIFHSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1cnc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cn1 ZINC001571193920 952954078 /nfs/dbraw/zinc/95/40/78/952954078.db2.gz GQHXEJDDMVIBCW-PWSUYJOCSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1cnc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cn1 ZINC001571193922 952954744 /nfs/dbraw/zinc/95/47/44/952954744.db2.gz GQHXEJDDMVIBCW-ZYHUDNBSSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)c(C)nn1 ZINC001571193924 952955076 /nfs/dbraw/zinc/95/50/76/952955076.db2.gz GRERVOCPCALVPD-CHWSQXEVSA-N -1 1 382.388 -0.957 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)c(C)nn1 ZINC001571193924 952955069 /nfs/dbraw/zinc/95/50/69/952955069.db2.gz GRERVOCPCALVPD-CHWSQXEVSA-N -1 1 382.388 -0.957 20 0 GBADMM Cc1cnc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2O)cn1 ZINC001571193929 952954720 /nfs/dbraw/zinc/95/47/20/952954720.db2.gz GTTHOVHCYIOQIP-OLZOCXBDSA-N -1 1 382.388 -0.957 20 0 GBADMM Cc1cnc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2O)cn1 ZINC001571193929 952954717 /nfs/dbraw/zinc/95/47/17/952954717.db2.gz GTTHOVHCYIOQIP-OLZOCXBDSA-N -1 1 382.388 -0.957 20 0 GBADMM CN(C(=O)c1c[nH]c(=O)cn1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571193930 952955025 /nfs/dbraw/zinc/95/50/25/952955025.db2.gz GWCKIGLCSJMGMQ-UHFFFAOYSA-N -1 1 382.388 -0.519 20 0 GBADMM CN(C(=O)c1c[nH]c(=O)cn1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571193930 952955020 /nfs/dbraw/zinc/95/50/20/952955020.db2.gz GWCKIGLCSJMGMQ-UHFFFAOYSA-N -1 1 382.388 -0.519 20 0 GBADMM Cn1nnc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)n1 ZINC001571193937 952954049 /nfs/dbraw/zinc/95/40/49/952954049.db2.gz HCOLLEDHRWQGTD-ZJUUUORDSA-N -1 1 382.392 -0.936 20 0 GBADMM Cn1nnc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)n1 ZINC001571193937 952954044 /nfs/dbraw/zinc/95/40/44/952954044.db2.gz HCOLLEDHRWQGTD-ZJUUUORDSA-N -1 1 382.392 -0.936 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571193939 952956011 /nfs/dbraw/zinc/95/60/11/952956011.db2.gz HCQZOKYXAXADAP-JTQLQIEISA-N -1 1 382.388 -0.249 20 0 GBADMM CN(C[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571193944 952955828 /nfs/dbraw/zinc/95/58/28/952955828.db2.gz HCQZOKYXAXADAP-SNVBAGLBSA-N -1 1 382.388 -0.249 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1=O ZINC001571193945 952955761 /nfs/dbraw/zinc/95/57/61/952955761.db2.gz HDVBFFJQMAMRFK-SNVBAGLBSA-N -1 1 382.388 -0.533 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1=O ZINC001571193945 952955759 /nfs/dbraw/zinc/95/57/59/952955759.db2.gz HDVBFFJQMAMRFK-SNVBAGLBSA-N -1 1 382.388 -0.533 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC1Cc2ccccc2C1 ZINC001571193995 952955687 /nfs/dbraw/zinc/95/56/87/952955687.db2.gz DGBUCIUWTWFEJL-UHFFFAOYSA-N -1 1 382.384 -0.404 20 0 GBADMM Cn1cnc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cc1=O ZINC001571194014 952955661 /nfs/dbraw/zinc/95/56/61/952955661.db2.gz HFRYOODECOZCQA-UHFFFAOYSA-N -1 1 382.388 -0.897 20 0 GBADMM Cn1cnc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cc1=O ZINC001571194014 952955659 /nfs/dbraw/zinc/95/56/59/952955659.db2.gz HFRYOODECOZCQA-UHFFFAOYSA-N -1 1 382.388 -0.897 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194026 952957084 /nfs/dbraw/zinc/95/70/84/952957084.db2.gz HJUUGTORYBGDFN-NXEZZACHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194026 952957080 /nfs/dbraw/zinc/95/70/80/952957080.db2.gz HJUUGTORYBGDFN-NXEZZACHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194028 952957011 /nfs/dbraw/zinc/95/70/11/952957011.db2.gz HJUUGTORYBGDFN-UWVGGRQHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194028 952957008 /nfs/dbraw/zinc/95/70/08/952957008.db2.gz HJUUGTORYBGDFN-UWVGGRQHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194030 952956784 /nfs/dbraw/zinc/95/67/84/952956784.db2.gz HJUUGTORYBGDFN-VHSXEESVSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194030 952956781 /nfs/dbraw/zinc/95/67/81/952956781.db2.gz HJUUGTORYBGDFN-VHSXEESVSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194032 952956616 /nfs/dbraw/zinc/95/66/16/952956616.db2.gz HJUUGTORYBGDFN-ZJUUUORDSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194032 952956609 /nfs/dbraw/zinc/95/66/09/952956609.db2.gz HJUUGTORYBGDFN-ZJUUUORDSA-N -1 1 382.388 -0.473 20 0 GBADMM CCn1nc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ccc1=O ZINC001571194034 952956723 /nfs/dbraw/zinc/95/67/23/952956723.db2.gz HKLNYLKZSYFRCR-MGCOHNPYSA-N -1 1 382.388 -0.394 20 0 GBADMM CCn1nc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ccc1=O ZINC001571194034 952956719 /nfs/dbraw/zinc/95/67/19/952956719.db2.gz HKLNYLKZSYFRCR-MGCOHNPYSA-N -1 1 382.388 -0.394 20 0 GBADMM Cn1nnc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571194035 952956951 /nfs/dbraw/zinc/95/69/51/952956951.db2.gz HKQYWNRFXVPKPA-AOOOYVTPSA-N -1 1 382.392 -0.936 20 0 GBADMM Cn1nnc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571194035 952956946 /nfs/dbraw/zinc/95/69/46/952956946.db2.gz HKQYWNRFXVPKPA-AOOOYVTPSA-N -1 1 382.392 -0.936 20 0 GBADMM CCN(C(=O)c1ccc(=O)[nH]n1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194036 952957383 /nfs/dbraw/zinc/95/73/83/952957383.db2.gz HLXFSLLQDDYUHC-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CCN(C(=O)c1ccc(=O)[nH]n1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194036 952957381 /nfs/dbraw/zinc/95/73/81/952957381.db2.gz HLXFSLLQDDYUHC-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CCN(C(=O)c1ccc(=O)[nH]n1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194037 952956634 /nfs/dbraw/zinc/95/66/34/952956634.db2.gz HLXFSLLQDDYUHC-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM CCN(C(=O)c1ccc(=O)[nH]n1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194037 952956632 /nfs/dbraw/zinc/95/66/32/952956632.db2.gz HLXFSLLQDDYUHC-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001571194046 952957313 /nfs/dbraw/zinc/95/73/13/952957313.db2.gz HOAUWNLBSVKQAA-UHFFFAOYSA-N -1 1 382.388 -0.107 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001571194046 952957311 /nfs/dbraw/zinc/95/73/11/952957311.db2.gz HOAUWNLBSVKQAA-UHFFFAOYSA-N -1 1 382.388 -0.107 20 0 GBADMM CCc1ccc(CC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)nc1 ZINC001571194052 952956331 /nfs/dbraw/zinc/95/63/31/952956331.db2.gz FLBXZAGFLFZBBR-UHFFFAOYSA-N -1 1 382.384 -0.288 20 0 GBADMM Cn1nc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ccc1=O ZINC001571194054 952956750 /nfs/dbraw/zinc/95/67/50/952956750.db2.gz HXRSCBSCDMVQOU-SNVBAGLBSA-N -1 1 382.388 -0.533 20 0 GBADMM Cn1nc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ccc1=O ZINC001571194054 952956747 /nfs/dbraw/zinc/95/67/47/952956747.db2.gz HXRSCBSCDMVQOU-SNVBAGLBSA-N -1 1 382.388 -0.533 20 0 GBADMM CCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571194056 952957127 /nfs/dbraw/zinc/95/71/27/952957127.db2.gz HYSNOKVTYXSNTN-JTQLQIEISA-N -1 1 382.388 -0.519 20 0 GBADMM CCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571194057 952957172 /nfs/dbraw/zinc/95/71/72/952957172.db2.gz HYSNOKVTYXSNTN-SNVBAGLBSA-N -1 1 382.388 -0.519 20 0 GBADMM COc1ncc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001571194058 952956796 /nfs/dbraw/zinc/95/67/96/952956796.db2.gz IDBOPUUCXGPDKW-UHFFFAOYSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ncc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001571194058 952956793 /nfs/dbraw/zinc/95/67/93/952956793.db2.gz IDBOPUUCXGPDKW-UHFFFAOYSA-N -1 1 382.388 -0.146 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001571194062 952956696 /nfs/dbraw/zinc/95/66/96/952956696.db2.gz IFQZFJDJHXKHPN-NXEZZACHSA-N -1 1 382.388 -0.758 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001571194062 952956693 /nfs/dbraw/zinc/95/66/93/952956693.db2.gz IFQZFJDJHXKHPN-NXEZZACHSA-N -1 1 382.388 -0.758 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001571194065 952956989 /nfs/dbraw/zinc/95/69/89/952956989.db2.gz FPCGAVPDUDXSNR-KGLIPLIRSA-N -1 1 382.384 -0.355 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)cc1 ZINC001571194065 952956986 /nfs/dbraw/zinc/95/69/86/952956986.db2.gz FPCGAVPDUDXSNR-KGLIPLIRSA-N -1 1 382.384 -0.355 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001571194067 952956498 /nfs/dbraw/zinc/95/64/98/952956498.db2.gz FPCGAVPDUDXSNR-ZIAGYGMSSA-N -1 1 382.384 -0.355 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)cc1 ZINC001571194067 952956496 /nfs/dbraw/zinc/95/64/96/952956496.db2.gz FPCGAVPDUDXSNR-ZIAGYGMSSA-N -1 1 382.384 -0.355 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)c1ncccn1 ZINC001571194068 952957208 /nfs/dbraw/zinc/95/72/08/952957208.db2.gz IIVKPMLGXICMQP-LLVKDONJSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)c1ncccn1 ZINC001571194068 952957205 /nfs/dbraw/zinc/95/72/05/952957205.db2.gz IIVKPMLGXICMQP-LLVKDONJSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)c1ncccn1 ZINC001571194070 952957000 /nfs/dbraw/zinc/95/70/00/952957000.db2.gz IIVKPMLGXICMQP-NSHDSACASA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)c1ncccn1 ZINC001571194070 952956997 /nfs/dbraw/zinc/95/69/97/952956997.db2.gz IIVKPMLGXICMQP-NSHDSACASA-N -1 1 382.388 -0.528 20 0 GBADMM Cc1nccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)n1 ZINC001571194073 952956425 /nfs/dbraw/zinc/95/64/25/952956425.db2.gz IKANDVZLBVFXFD-GWCFXTLKSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)n1 ZINC001571194073 952956411 /nfs/dbraw/zinc/95/64/11/952956411.db2.gz IKANDVZLBVFXFD-GWCFXTLKSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)n1 ZINC001571194075 952957036 /nfs/dbraw/zinc/95/70/36/952957036.db2.gz IKANDVZLBVFXFD-GXFFZTMASA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)n1 ZINC001571194075 952957032 /nfs/dbraw/zinc/95/70/32/952957032.db2.gz IKANDVZLBVFXFD-GXFFZTMASA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)n1 ZINC001571194077 952956569 /nfs/dbraw/zinc/95/65/69/952956569.db2.gz IKANDVZLBVFXFD-MFKMUULPSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)n1 ZINC001571194077 952956567 /nfs/dbraw/zinc/95/65/67/952956567.db2.gz IKANDVZLBVFXFD-MFKMUULPSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)n1 ZINC001571194078 952956515 /nfs/dbraw/zinc/95/65/15/952956515.db2.gz IKANDVZLBVFXFD-ZWNOBZJWSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)n1 ZINC001571194078 952956508 /nfs/dbraw/zinc/95/65/08/952956508.db2.gz IKANDVZLBVFXFD-ZWNOBZJWSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)ncn1 ZINC001571194080 952957352 /nfs/dbraw/zinc/95/73/52/952957352.db2.gz IKRSLZBPQZUEKH-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)ncn1 ZINC001571194080 952957347 /nfs/dbraw/zinc/95/73/47/952957347.db2.gz IKRSLZBPQZUEKH-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)ncn1 ZINC001571194082 952956970 /nfs/dbraw/zinc/95/69/70/952956970.db2.gz IKRSLZBPQZUEKH-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)ncn1 ZINC001571194082 952956966 /nfs/dbraw/zinc/95/69/66/952956966.db2.gz IKRSLZBPQZUEKH-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cn1c(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)c[nH]c1=O ZINC001571194093 952956310 /nfs/dbraw/zinc/95/63/10/952956310.db2.gz INUYPPBTIIGUSR-AOOOYVTPSA-N -1 1 382.388 -0.696 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571194099 952958237 /nfs/dbraw/zinc/95/82/37/952958237.db2.gz IOSUCHYPGDXZAG-JTQLQIEISA-N -1 1 382.388 -0.662 20 0 GBADMM CN(C[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571194101 952957966 /nfs/dbraw/zinc/95/79/66/952957966.db2.gz IOSUCHYPGDXZAG-SNVBAGLBSA-N -1 1 382.388 -0.662 20 0 GBADMM CCn1nc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)ccc1=O ZINC001571194109 952957813 /nfs/dbraw/zinc/95/78/13/952957813.db2.gz IRCPSXPZSMIUSD-JTQLQIEISA-N -1 1 382.388 -0.758 20 0 GBADMM CCn1nc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)ccc1=O ZINC001571194109 952957809 /nfs/dbraw/zinc/95/78/09/952957809.db2.gz IRCPSXPZSMIUSD-JTQLQIEISA-N -1 1 382.388 -0.758 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC001571194122 952958379 /nfs/dbraw/zinc/95/83/79/952958379.db2.gz IVZBFBBVWCGAJW-GFCCVEGCSA-N -1 1 382.388 -0.659 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CC(=O)NC[C@H]1c1ccccc1 ZINC001571194124 952958271 /nfs/dbraw/zinc/95/82/71/952958271.db2.gz IVZBFBBVWCGAJW-LBPRGKRZSA-N -1 1 382.388 -0.659 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1nccc(C)n1 ZINC001571194128 952957749 /nfs/dbraw/zinc/95/77/49/952957749.db2.gz IXDXMSQWCKMSSB-GHMZBOCLSA-N -1 1 382.388 -0.611 20 0 GBADMM O=C(c1ncccn1)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571194130 952958377 /nfs/dbraw/zinc/95/83/77/952958377.db2.gz IXYIYPNKWIFGQE-INIZCTEOSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1ncccn1)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571194130 952958376 /nfs/dbraw/zinc/95/83/76/952958376.db2.gz IXYIYPNKWIFGQE-INIZCTEOSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1ncccn1)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571194131 952958181 /nfs/dbraw/zinc/95/81/81/952958181.db2.gz IXYIYPNKWIFGQE-MRXNPFEDSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1ncccn1)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571194131 952958176 /nfs/dbraw/zinc/95/81/76/952958176.db2.gz IXYIYPNKWIFGQE-MRXNPFEDSA-N -1 1 382.388 -0.474 20 0 GBADMM COc1cnc(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001571194132 952958383 /nfs/dbraw/zinc/95/83/83/952958383.db2.gz IYCLHKQUZDOQEW-UHFFFAOYSA-N -1 1 382.388 -0.274 20 0 GBADMM COc1cnc(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001571194132 952958382 /nfs/dbraw/zinc/95/83/82/952958382.db2.gz IYCLHKQUZDOQEW-UHFFFAOYSA-N -1 1 382.388 -0.274 20 0 GBADMM CN(C(=O)c1cc2n(n1)CCO2)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194135 952958727 /nfs/dbraw/zinc/95/87/27/952958727.db2.gz IYIVONSFQHMXJO-JTQLQIEISA-N -1 1 382.388 -0.404 20 0 GBADMM CN(C(=O)c1cc2n(n1)CCO2)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194135 952958718 /nfs/dbraw/zinc/95/87/18/952958718.db2.gz IYIVONSFQHMXJO-JTQLQIEISA-N -1 1 382.388 -0.404 20 0 GBADMM CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194136 952958862 /nfs/dbraw/zinc/95/88/62/952958862.db2.gz IYIVONSFQHMXJO-SNVBAGLBSA-N -1 1 382.388 -0.404 20 0 GBADMM CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194136 952958858 /nfs/dbraw/zinc/95/88/58/952958858.db2.gz IYIVONSFQHMXJO-SNVBAGLBSA-N -1 1 382.388 -0.404 20 0 GBADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc2n(n1)CCCO2 ZINC001571194148 952958212 /nfs/dbraw/zinc/95/82/12/952958212.db2.gz JARIXJTVARFEMT-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc2n(n1)CCCO2 ZINC001571194148 952958206 /nfs/dbraw/zinc/95/82/06/952958206.db2.gz JARIXJTVARFEMT-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1nccc(C)n1 ZINC001571194154 952958849 /nfs/dbraw/zinc/95/88/49/952958849.db2.gz JGUKPQMTGKZFIO-VXGBXAGGSA-N -1 1 382.388 -0.611 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1nccc(C)n1 ZINC001571194154 952958847 /nfs/dbraw/zinc/95/88/47/952958847.db2.gz JGUKPQMTGKZFIO-VXGBXAGGSA-N -1 1 382.388 -0.611 20 0 GBADMM Cc1ncncc1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571194169 952958744 /nfs/dbraw/zinc/95/87/44/952958744.db2.gz JJUNPNQQALVWNS-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1ncncc1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571194169 952958737 /nfs/dbraw/zinc/95/87/37/952958737.db2.gz JJUNPNQQALVWNS-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1ncncc1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571194170 952958123 /nfs/dbraw/zinc/95/81/23/952958123.db2.gz JJUNPNQQALVWNS-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1ncncc1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571194170 952958113 /nfs/dbraw/zinc/95/81/13/952958113.db2.gz JJUNPNQQALVWNS-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM CCOc1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571194176 952957943 /nfs/dbraw/zinc/95/79/43/952957943.db2.gz JQKZMIAXTACAHK-AOOOYVTPSA-N -1 1 382.388 -0.360 20 0 GBADMM COc1ncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cn1 ZINC001571194178 952959408 /nfs/dbraw/zinc/95/94/08/952959408.db2.gz JRJXCXXJMVZCEJ-KOLCDFICSA-N -1 1 382.388 -0.148 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cnn1 ZINC001571194179 952959376 /nfs/dbraw/zinc/95/93/76/952959376.db2.gz JRLKSCXQVJEHTG-NEPJUHHUSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cnn1 ZINC001571194181 952959352 /nfs/dbraw/zinc/95/93/52/952959352.db2.gz JRLKSCXQVJEHTG-NWDGAFQWSA-N -1 1 382.388 -0.875 20 0 GBADMM CC1(NC(=O)c2c[nH]c(=O)cn2)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571194183 952959429 /nfs/dbraw/zinc/95/94/29/952959429.db2.gz HVHMBXLMHGOPIU-UHFFFAOYSA-N -1 1 382.388 -0.471 20 0 GBADMM CC1(NC(=O)c2c[nH]c(=O)cn2)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571194183 952959427 /nfs/dbraw/zinc/95/94/27/952959427.db2.gz HVHMBXLMHGOPIU-UHFFFAOYSA-N -1 1 382.388 -0.471 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCc1cc(C(F)F)on1 ZINC001571194190 952959975 /nfs/dbraw/zinc/95/99/75/952959975.db2.gz IDUAAIXAMHLZHO-UHFFFAOYSA-N -1 1 382.287 -0.239 20 0 GBADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cnn1 ZINC001571194214 952959850 /nfs/dbraw/zinc/95/98/50/952959850.db2.gz JRLKSCXQVJEHTG-RYUDHWBXSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cnn1 ZINC001571194215 952959899 /nfs/dbraw/zinc/95/98/99/952959899.db2.gz JRLKSCXQVJEHTG-VXGBXAGGSA-N -1 1 382.388 -0.875 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194221 952959438 /nfs/dbraw/zinc/95/94/38/952959438.db2.gz JUUJAWQPPLMWTN-NXEZZACHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194221 952959435 /nfs/dbraw/zinc/95/94/35/952959435.db2.gz JUUJAWQPPLMWTN-NXEZZACHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194222 952959496 /nfs/dbraw/zinc/95/94/96/952959496.db2.gz JUUJAWQPPLMWTN-UWVGGRQHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194222 952959492 /nfs/dbraw/zinc/95/94/92/952959492.db2.gz JUUJAWQPPLMWTN-UWVGGRQHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194223 952959446 /nfs/dbraw/zinc/95/94/46/952959446.db2.gz JUUJAWQPPLMWTN-VHSXEESVSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194223 952959442 /nfs/dbraw/zinc/95/94/42/952959442.db2.gz JUUJAWQPPLMWTN-VHSXEESVSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194224 952960245 /nfs/dbraw/zinc/96/02/45/952960245.db2.gz JUUJAWQPPLMWTN-ZJUUUORDSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194224 952960240 /nfs/dbraw/zinc/96/02/40/952960240.db2.gz JUUJAWQPPLMWTN-ZJUUUORDSA-N -1 1 382.388 -0.473 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1ccc(C)nn1 ZINC001571194232 952959393 /nfs/dbraw/zinc/95/93/93/952959393.db2.gz KAYZHYKXECLWEP-CHWSQXEVSA-N -1 1 382.388 -0.611 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1ccc(C)nn1 ZINC001571194232 952959391 /nfs/dbraw/zinc/95/93/91/952959391.db2.gz KAYZHYKXECLWEP-CHWSQXEVSA-N -1 1 382.388 -0.611 20 0 GBADMM Cc1ccnc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2O)n1 ZINC001571194239 952959757 /nfs/dbraw/zinc/95/97/57/952959757.db2.gz KCEKFVQANUSTKM-VXGBXAGGSA-N -1 1 382.388 -0.957 20 0 GBADMM Cc1ccnc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2O)n1 ZINC001571194239 952959749 /nfs/dbraw/zinc/95/97/49/952959749.db2.gz KCEKFVQANUSTKM-VXGBXAGGSA-N -1 1 382.388 -0.957 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194241 952959700 /nfs/dbraw/zinc/95/97/00/952959700.db2.gz KGVHVUGBRUMAAK-CMPLNLGQSA-N -1 1 382.388 -0.060 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194241 952959698 /nfs/dbraw/zinc/95/96/98/952959698.db2.gz KGVHVUGBRUMAAK-CMPLNLGQSA-N -1 1 382.388 -0.060 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cn2c(n1)COCC2 ZINC001571194244 952959949 /nfs/dbraw/zinc/95/99/49/952959949.db2.gz KLPZXFJLCFOAKE-AOOOYVTPSA-N -1 1 382.388 -0.244 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cn2c(n1)COCC2 ZINC001571194244 952959946 /nfs/dbraw/zinc/95/99/46/952959946.db2.gz KLPZXFJLCFOAKE-AOOOYVTPSA-N -1 1 382.388 -0.244 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cn2c(n1)COCC2 ZINC001571194246 952959658 /nfs/dbraw/zinc/95/96/58/952959658.db2.gz KLPZXFJLCFOAKE-MGCOHNPYSA-N -1 1 382.388 -0.244 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cn2c(n1)COCC2 ZINC001571194246 952959652 /nfs/dbraw/zinc/95/96/52/952959652.db2.gz KLPZXFJLCFOAKE-MGCOHNPYSA-N -1 1 382.388 -0.244 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cc4n(n3)CCO4)C2)n1 ZINC001571194261 952960845 /nfs/dbraw/zinc/96/08/45/952960845.db2.gz KTCJZLPRAAMXSA-SNVBAGLBSA-N -1 1 382.388 -0.437 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cc4n(n3)CCO4)C2)n1 ZINC001571194261 952960840 /nfs/dbraw/zinc/96/08/40/952960840.db2.gz KTCJZLPRAAMXSA-SNVBAGLBSA-N -1 1 382.388 -0.437 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cc(C2CC2)n[nH]1 ZINC001571194267 952961200 /nfs/dbraw/zinc/96/12/00/952961200.db2.gz KVHJOEAMWQQOIC-CHWSQXEVSA-N -1 1 382.388 -0.763 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cc(C2CC2)n[nH]1 ZINC001571194267 952961196 /nfs/dbraw/zinc/96/11/96/952961196.db2.gz KVHJOEAMWQQOIC-CHWSQXEVSA-N -1 1 382.388 -0.763 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194269 952960871 /nfs/dbraw/zinc/96/08/71/952960871.db2.gz KWWPQLVDAXVRKZ-CMPLNLGQSA-N -1 1 382.388 -0.060 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194269 952960868 /nfs/dbraw/zinc/96/08/68/952960868.db2.gz KWWPQLVDAXVRKZ-CMPLNLGQSA-N -1 1 382.388 -0.060 20 0 GBADMM CCOc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)[nH]n1 ZINC001571194279 952961293 /nfs/dbraw/zinc/96/12/93/952961293.db2.gz LGJLLWQKPPCLDD-QRJZZWFUSA-N -1 1 382.388 -0.357 20 0 GBADMM CCOc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)[nH]n1 ZINC001571194279 952961289 /nfs/dbraw/zinc/96/12/89/952961289.db2.gz LGJLLWQKPPCLDD-QRJZZWFUSA-N -1 1 382.388 -0.357 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3ccnnc3C)[C@@H](O)C2)n1 ZINC001571194281 952960663 /nfs/dbraw/zinc/96/06/63/952960663.db2.gz LHNKKAJVPXELPI-OLZOCXBDSA-N -1 1 382.388 -0.957 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3ccnnc3C)[C@@H](O)C2)n1 ZINC001571194281 952960661 /nfs/dbraw/zinc/96/06/61/952960661.db2.gz LHNKKAJVPXELPI-OLZOCXBDSA-N -1 1 382.388 -0.957 20 0 GBADMM COc1ncc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571194283 952960765 /nfs/dbraw/zinc/96/07/65/952960765.db2.gz LISIMYXYVKRSGL-LLVKDONJSA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ncc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571194283 952960761 /nfs/dbraw/zinc/96/07/61/952960761.db2.gz LISIMYXYVKRSGL-LLVKDONJSA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ncc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571194285 952961037 /nfs/dbraw/zinc/96/10/37/952961037.db2.gz LISIMYXYVKRSGL-NSHDSACASA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ncc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571194285 952961033 /nfs/dbraw/zinc/96/10/33/952961033.db2.gz LISIMYXYVKRSGL-NSHDSACASA-N -1 1 382.388 -0.194 20 0 GBADMM Cc1nonc1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571194289 952960915 /nfs/dbraw/zinc/96/09/15/952960915.db2.gz LKIWCPYLBVPKAJ-PHIMTYICSA-N -1 1 382.388 -0.230 20 0 GBADMM Cc1nonc1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571194289 952960912 /nfs/dbraw/zinc/96/09/12/952960912.db2.gz LKIWCPYLBVPKAJ-PHIMTYICSA-N -1 1 382.388 -0.230 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1)c1nccnc1-c1nn[n-]n1 ZINC001571194294 952960798 /nfs/dbraw/zinc/96/07/98/952960798.db2.gz LLKPIGCYCFFMOF-JTQLQIEISA-N -1 1 382.388 -0.519 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1)c1nccnc1-c1nnn[n-]1 ZINC001571194294 952960793 /nfs/dbraw/zinc/96/07/93/952960793.db2.gz LLKPIGCYCFFMOF-JTQLQIEISA-N -1 1 382.388 -0.519 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1)c1nccnc1-c1nn[n-]n1 ZINC001571194295 952960864 /nfs/dbraw/zinc/96/08/64/952960864.db2.gz LLKPIGCYCFFMOF-SNVBAGLBSA-N -1 1 382.388 -0.519 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1)c1nccnc1-c1nnn[n-]1 ZINC001571194295 952960861 /nfs/dbraw/zinc/96/08/61/952960861.db2.gz LLKPIGCYCFFMOF-SNVBAGLBSA-N -1 1 382.388 -0.519 20 0 GBADMM Cc1nccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571194297 952960622 /nfs/dbraw/zinc/96/06/22/952960622.db2.gz LMDAYOBQJOUYPW-LLVKDONJSA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1nccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571194297 952960619 /nfs/dbraw/zinc/96/06/19/952960619.db2.gz LMDAYOBQJOUYPW-LLVKDONJSA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1nccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571194301 952960597 /nfs/dbraw/zinc/96/05/97/952960597.db2.gz LMDAYOBQJOUYPW-NSHDSACASA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1nccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571194301 952960594 /nfs/dbraw/zinc/96/05/94/952960594.db2.gz LMDAYOBQJOUYPW-NSHDSACASA-N -1 1 382.388 -0.292 20 0 GBADMM C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571194313 952961025 /nfs/dbraw/zinc/96/10/25/952961025.db2.gz LUGNVBNISULWAP-NXEZZACHSA-N -1 1 382.388 -0.440 20 0 GBADMM C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571194313 952961022 /nfs/dbraw/zinc/96/10/22/952961022.db2.gz LUGNVBNISULWAP-NXEZZACHSA-N -1 1 382.388 -0.440 20 0 GBADMM Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571194327 952960936 /nfs/dbraw/zinc/96/09/36/952960936.db2.gz MFLCZMSGCJRROW-SNVBAGLBSA-N -1 1 382.388 -0.222 20 0 GBADMM Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571194327 952960933 /nfs/dbraw/zinc/96/09/33/952960933.db2.gz MFLCZMSGCJRROW-SNVBAGLBSA-N -1 1 382.388 -0.222 20 0 GBADMM O=C(c1ccnnc1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571194331 952960653 /nfs/dbraw/zinc/96/06/53/952960653.db2.gz MFXRBCVZJJKEMU-UHFFFAOYSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1ccnnc1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571194331 952960648 /nfs/dbraw/zinc/96/06/48/952960648.db2.gz MFXRBCVZJJKEMU-UHFFFAOYSA-N -1 1 382.388 -0.474 20 0 GBADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001571194332 952960743 /nfs/dbraw/zinc/96/07/43/952960743.db2.gz MGDMQBZOAGXGGS-NXEZZACHSA-N -1 1 382.388 -0.758 20 0 GBADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001571194332 952960738 /nfs/dbraw/zinc/96/07/38/952960738.db2.gz MGDMQBZOAGXGGS-NXEZZACHSA-N -1 1 382.388 -0.758 20 0 GBADMM COc1cncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001571194337 952960984 /nfs/dbraw/zinc/96/09/84/952960984.db2.gz MHZDBEWMAWNQSI-NXEZZACHSA-N -1 1 382.388 -0.408 20 0 GBADMM COc1cncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001571194338 952961635 /nfs/dbraw/zinc/96/16/35/952961635.db2.gz MHZDBEWMAWNQSI-UWVGGRQHSA-N -1 1 382.388 -0.408 20 0 GBADMM COc1cncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001571194340 952962214 /nfs/dbraw/zinc/96/22/14/952962214.db2.gz MHZDBEWMAWNQSI-VHSXEESVSA-N -1 1 382.388 -0.408 20 0 GBADMM COc1cncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001571194342 952962399 /nfs/dbraw/zinc/96/23/99/952962399.db2.gz MHZDBEWMAWNQSI-ZJUUUORDSA-N -1 1 382.388 -0.408 20 0 GBADMM O=C(NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccc(=O)[nH]n1 ZINC001571194349 952961826 /nfs/dbraw/zinc/96/18/26/952961826.db2.gz MJHWCTPKAFFVBU-UHFFFAOYSA-N -1 1 382.388 -0.201 20 0 GBADMM O=C(NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccc(=O)[nH]n1 ZINC001571194349 952961812 /nfs/dbraw/zinc/96/18/12/952961812.db2.gz MJHWCTPKAFFVBU-UHFFFAOYSA-N -1 1 382.388 -0.201 20 0 GBADMM COc1cccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)c1 ZINC001571194364 952962287 /nfs/dbraw/zinc/96/22/87/952962287.db2.gz LCQRLKMLGQNGRF-CHWSQXEVSA-N -1 1 382.384 -0.355 20 0 GBADMM Cc1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c(=O)[nH]c1C ZINC001571194371 952962310 /nfs/dbraw/zinc/96/23/10/952962310.db2.gz MTDMASRPXREEKE-JTQLQIEISA-N -1 1 382.388 -0.634 20 0 GBADMM Cc1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001571194371 952962307 /nfs/dbraw/zinc/96/23/07/952962307.db2.gz MTDMASRPXREEKE-JTQLQIEISA-N -1 1 382.388 -0.634 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c(=O)[nH]c1C ZINC001571194376 952961589 /nfs/dbraw/zinc/96/15/89/952961589.db2.gz MTDMASRPXREEKE-SNVBAGLBSA-N -1 1 382.388 -0.634 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001571194376 952961584 /nfs/dbraw/zinc/96/15/84/952961584.db2.gz MTDMASRPXREEKE-SNVBAGLBSA-N -1 1 382.388 -0.634 20 0 GBADMM Cc1nccc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)n1 ZINC001571194377 952961748 /nfs/dbraw/zinc/96/17/48/952961748.db2.gz MTDMPXOJSOHMDN-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nccc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)n1 ZINC001571194377 952961742 /nfs/dbraw/zinc/96/17/42/952961742.db2.gz MTDMPXOJSOHMDN-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nccc(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)n1 ZINC001571194378 952961898 /nfs/dbraw/zinc/96/18/98/952961898.db2.gz MTDMPXOJSOHMDN-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nccc(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)n1 ZINC001571194378 952961893 /nfs/dbraw/zinc/96/18/93/952961893.db2.gz MTDMPXOJSOHMDN-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)[nH]c1=O ZINC001571194380 952961707 /nfs/dbraw/zinc/96/17/07/952961707.db2.gz MTZKMRWMYZCAJR-KKZNHRDASA-N -1 1 382.388 -0.365 20 0 GBADMM COc1cccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)c1 ZINC001571194402 952962114 /nfs/dbraw/zinc/96/21/14/952962114.db2.gz LQJRZIBINDCDGJ-ZIAGYGMSSA-N -1 1 382.384 -0.355 20 0 GBADMM COc1cccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)c1 ZINC001571194402 952962112 /nfs/dbraw/zinc/96/21/12/952962112.db2.gz LQJRZIBINDCDGJ-ZIAGYGMSSA-N -1 1 382.384 -0.355 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCCc2cccnc21 ZINC001571194412 952962058 /nfs/dbraw/zinc/96/20/58/952962058.db2.gz LTLCCDCMMVIYKK-LLVKDONJSA-N -1 1 382.384 -0.240 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCCc2cccnc21 ZINC001571194413 952962193 /nfs/dbraw/zinc/96/21/93/952962193.db2.gz LTLCCDCMMVIYKK-NSHDSACASA-N -1 1 382.384 -0.240 20 0 GBADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)c1cnc[nH]c1=O ZINC001571194422 952963567 /nfs/dbraw/zinc/96/35/67/952963567.db2.gz MAQWNMYCOKHRGG-JTQLQIEISA-N -1 1 382.388 -0.203 20 0 GBADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cnc[nH]c1=O ZINC001571194423 952963275 /nfs/dbraw/zinc/96/32/75/952963275.db2.gz MAQWNMYCOKHRGG-SNVBAGLBSA-N -1 1 382.388 -0.203 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCCN1Cc2ccccc2C1 ZINC001571194444 952963308 /nfs/dbraw/zinc/96/33/08/952963308.db2.gz MZWLPSTVJLKSRF-UHFFFAOYSA-N -1 1 382.384 -0.739 20 0 GBADMM Cn1nc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)ccc1=O ZINC001571194462 952963754 /nfs/dbraw/zinc/96/37/54/952963754.db2.gz NDZCMBNWRBKLPY-INIZCTEOSA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1nc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)ccc1=O ZINC001571194462 952963753 /nfs/dbraw/zinc/96/37/53/952963753.db2.gz NDZCMBNWRBKLPY-INIZCTEOSA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1nc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)ccc1=O ZINC001571194465 952963727 /nfs/dbraw/zinc/96/37/27/952963727.db2.gz NDZCMBNWRBKLPY-MRXNPFEDSA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1nc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)ccc1=O ZINC001571194465 952963717 /nfs/dbraw/zinc/96/37/17/952963717.db2.gz NDZCMBNWRBKLPY-MRXNPFEDSA-N -1 1 382.388 -0.851 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnc[nH]c1=O ZINC001571194467 952963498 /nfs/dbraw/zinc/96/34/98/952963498.db2.gz NEUPJANYNJDLMZ-VHSXEESVSA-N -1 1 382.388 -0.415 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1cn[nH]c(=O)c1)c1nccnc1-c1nn[n-]n1 ZINC001571194468 952962949 /nfs/dbraw/zinc/96/29/49/952962949.db2.gz NEWXVQFPLRJKFR-LLVKDONJSA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1cn[nH]c(=O)c1)c1nccnc1-c1nnn[n-]1 ZINC001571194468 952962944 /nfs/dbraw/zinc/96/29/44/952962944.db2.gz NEWXVQFPLRJKFR-LLVKDONJSA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1cn[nH]c(=O)c1)c1nccnc1-c1nn[n-]n1 ZINC001571194470 952963201 /nfs/dbraw/zinc/96/32/01/952963201.db2.gz NEWXVQFPLRJKFR-NSHDSACASA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1cn[nH]c(=O)c1)c1nccnc1-c1nnn[n-]1 ZINC001571194470 952963198 /nfs/dbraw/zinc/96/31/98/952963198.db2.gz NEWXVQFPLRJKFR-NSHDSACASA-N -1 1 382.388 -0.107 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1ccnc(C)n1 ZINC001571194472 952962684 /nfs/dbraw/zinc/96/26/84/952962684.db2.gz NEZUOPGACCIOQS-CHWSQXEVSA-N -1 1 382.388 -0.611 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1ccnc(C)n1 ZINC001571194472 952962682 /nfs/dbraw/zinc/96/26/82/952962682.db2.gz NEZUOPGACCIOQS-CHWSQXEVSA-N -1 1 382.388 -0.611 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571194474 952963597 /nfs/dbraw/zinc/96/35/97/952963597.db2.gz NGDJAQOUDJEIIY-JTQLQIEISA-N -1 1 382.388 -0.401 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571194477 952963001 /nfs/dbraw/zinc/96/30/01/952963001.db2.gz NGDJAQOUDJEIIY-SNVBAGLBSA-N -1 1 382.388 -0.401 20 0 GBADMM Cc1nonc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571194479 952962991 /nfs/dbraw/zinc/96/29/91/952962991.db2.gz NMSNZZRAECZPNE-GXFFZTMASA-N -1 1 382.388 -0.372 20 0 GBADMM Cc1nonc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571194479 952962982 /nfs/dbraw/zinc/96/29/82/952962982.db2.gz NMSNZZRAECZPNE-GXFFZTMASA-N -1 1 382.388 -0.372 20 0 GBADMM COc1nccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571194481 952962700 /nfs/dbraw/zinc/96/27/00/952962700.db2.gz NOFXJRQWCNGVRR-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1nccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571194481 952962697 /nfs/dbraw/zinc/96/26/97/952962697.db2.gz NOFXJRQWCNGVRR-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1nccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571194483 952963167 /nfs/dbraw/zinc/96/31/67/952963167.db2.gz NOFXJRQWCNGVRR-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1nccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571194483 952963164 /nfs/dbraw/zinc/96/31/64/952963164.db2.gz NOFXJRQWCNGVRR-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571194487 952962794 /nfs/dbraw/zinc/96/27/94/952962794.db2.gz NPFFYAYUFITBTK-NXEZZACHSA-N -1 1 382.388 -0.155 20 0 GBADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571194487 952962787 /nfs/dbraw/zinc/96/27/87/952962787.db2.gz NPFFYAYUFITBTK-NXEZZACHSA-N -1 1 382.388 -0.155 20 0 GBADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571194489 952963211 /nfs/dbraw/zinc/96/32/11/952963211.db2.gz NPFFYAYUFITBTK-UWVGGRQHSA-N -1 1 382.388 -0.155 20 0 GBADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571194489 952963207 /nfs/dbraw/zinc/96/32/07/952963207.db2.gz NPFFYAYUFITBTK-UWVGGRQHSA-N -1 1 382.388 -0.155 20 0 GBADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571194491 952963620 /nfs/dbraw/zinc/96/36/20/952963620.db2.gz NPFFYAYUFITBTK-VHSXEESVSA-N -1 1 382.388 -0.155 20 0 GBADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571194491 952963615 /nfs/dbraw/zinc/96/36/15/952963615.db2.gz NPFFYAYUFITBTK-VHSXEESVSA-N -1 1 382.388 -0.155 20 0 GBADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571194493 952963047 /nfs/dbraw/zinc/96/30/47/952963047.db2.gz NPFFYAYUFITBTK-ZJUUUORDSA-N -1 1 382.388 -0.155 20 0 GBADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571194493 952963042 /nfs/dbraw/zinc/96/30/42/952963042.db2.gz NPFFYAYUFITBTK-ZJUUUORDSA-N -1 1 382.388 -0.155 20 0 GBADMM Cc1ncncc1C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194496 952963233 /nfs/dbraw/zinc/96/32/33/952963233.db2.gz NPWBCUJUINLCSG-LLVKDONJSA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1ncncc1C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194496 952963229 /nfs/dbraw/zinc/96/32/29/952963229.db2.gz NPWBCUJUINLCSG-LLVKDONJSA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1ncncc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194498 952964505 /nfs/dbraw/zinc/96/45/05/952964505.db2.gz NPWBCUJUINLCSG-NSHDSACASA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1ncncc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194498 952964501 /nfs/dbraw/zinc/96/45/01/952964501.db2.gz NPWBCUJUINLCSG-NSHDSACASA-N -1 1 382.388 -0.292 20 0 GBADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn2c1OCCC2 ZINC001571194508 952964963 /nfs/dbraw/zinc/96/49/63/952964963.db2.gz NQXDDWRRPWHZRR-SNVBAGLBSA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn2c1OCCC2 ZINC001571194508 952964959 /nfs/dbraw/zinc/96/49/59/952964959.db2.gz NQXDDWRRPWHZRR-SNVBAGLBSA-N -1 1 382.388 -0.356 20 0 GBADMM CCn1nc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)ccc1=O ZINC001571194520 952964838 /nfs/dbraw/zinc/96/48/38/952964838.db2.gz NRTHGBHGELSKDN-AOOOYVTPSA-N -1 1 382.388 -0.394 20 0 GBADMM CCn1nc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)ccc1=O ZINC001571194520 952964833 /nfs/dbraw/zinc/96/48/33/952964833.db2.gz NRTHGBHGELSKDN-AOOOYVTPSA-N -1 1 382.388 -0.394 20 0 GBADMM O=C(c1cc2n(n1)CCO2)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571194522 952964217 /nfs/dbraw/zinc/96/42/17/952964217.db2.gz NUIZKNIUIYLXRO-UHFFFAOYSA-N -1 1 382.388 -0.402 20 0 GBADMM O=C(c1cc2n(n1)CCO2)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571194522 952964212 /nfs/dbraw/zinc/96/42/12/952964212.db2.gz NUIZKNIUIYLXRO-UHFFFAOYSA-N -1 1 382.388 -0.402 20 0 GBADMM COc1cncc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571194534 952964275 /nfs/dbraw/zinc/96/42/75/952964275.db2.gz NWIPWTNWCVESEZ-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cncc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571194534 952964269 /nfs/dbraw/zinc/96/42/69/952964269.db2.gz NWIPWTNWCVESEZ-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cncc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571194536 952964517 /nfs/dbraw/zinc/96/45/17/952964517.db2.gz NWIPWTNWCVESEZ-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cncc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571194536 952964513 /nfs/dbraw/zinc/96/45/13/952964513.db2.gz NWIPWTNWCVESEZ-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM O=C(c1cncnc1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571194545 952964537 /nfs/dbraw/zinc/96/45/37/952964537.db2.gz NZSILUGNFYMCQT-UHFFFAOYSA-N -1 1 382.388 -0.474 20 0 GBADMM O=C(c1cncnc1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571194545 952964532 /nfs/dbraw/zinc/96/45/32/952964532.db2.gz NZSILUGNFYMCQT-UHFFFAOYSA-N -1 1 382.388 -0.474 20 0 GBADMM CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571194547 952964986 /nfs/dbraw/zinc/96/49/86/952964986.db2.gz NZYJATPOJGUULL-JTQLQIEISA-N -1 1 382.388 -0.899 20 0 GBADMM CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571194547 952964982 /nfs/dbraw/zinc/96/49/82/952964982.db2.gz NZYJATPOJGUULL-JTQLQIEISA-N -1 1 382.388 -0.899 20 0 GBADMM CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571194550 952964463 /nfs/dbraw/zinc/96/44/63/952964463.db2.gz NZYJATPOJGUULL-SNVBAGLBSA-N -1 1 382.388 -0.899 20 0 GBADMM CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571194550 952964461 /nfs/dbraw/zinc/96/44/61/952964461.db2.gz NZYJATPOJGUULL-SNVBAGLBSA-N -1 1 382.388 -0.899 20 0 GBADMM O=C(c1cnc2n1CCOC2)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194552 952963977 /nfs/dbraw/zinc/96/39/77/952963977.db2.gz OEOSGIBREDSUIR-JTQLQIEISA-N -1 1 382.388 -0.290 20 0 GBADMM O=C(c1cnc2n1CCOC2)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194552 952963973 /nfs/dbraw/zinc/96/39/73/952963973.db2.gz OEOSGIBREDSUIR-JTQLQIEISA-N -1 1 382.388 -0.290 20 0 GBADMM Cc1nonc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571194555 952965039 /nfs/dbraw/zinc/96/50/39/952965039.db2.gz OKDOAKXJEIBFRJ-MNOVXSKESA-N -1 1 382.388 -0.053 20 0 GBADMM Cc1nonc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571194555 952965035 /nfs/dbraw/zinc/96/50/35/952965035.db2.gz OKDOAKXJEIBFRJ-MNOVXSKESA-N -1 1 382.388 -0.053 20 0 GBADMM COc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571194557 952964061 /nfs/dbraw/zinc/96/40/61/952964061.db2.gz OLPVQVLNEJTKAD-AOOOYVTPSA-N -1 1 382.388 -0.502 20 0 GBADMM Cc1cnc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571194564 952964159 /nfs/dbraw/zinc/96/41/59/952964159.db2.gz ONLGIRBDDDZNOX-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cnc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571194564 952964152 /nfs/dbraw/zinc/96/41/52/952964152.db2.gz ONLGIRBDDDZNOX-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cnc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571194565 952964443 /nfs/dbraw/zinc/96/44/43/952964443.db2.gz ONLGIRBDDDZNOX-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cnc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571194565 952964441 /nfs/dbraw/zinc/96/44/41/952964441.db2.gz ONLGIRBDDDZNOX-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM COc1nccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)n1 ZINC001571194567 952964798 /nfs/dbraw/zinc/96/47/98/952964798.db2.gz OSJIOQJYIGDMNA-ZJUUUORDSA-N -1 1 382.388 -0.148 20 0 GBADMM COc1nccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)n1 ZINC001571194567 952964793 /nfs/dbraw/zinc/96/47/93/952964793.db2.gz OSJIOQJYIGDMNA-ZJUUUORDSA-N -1 1 382.388 -0.148 20 0 GBADMM CCc1nc(N[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571194568 952964656 /nfs/dbraw/zinc/96/46/56/952964656.db2.gz OUUOAXMRXGDPKK-SECBINFHSA-N -1 1 382.388 -0.371 20 0 GBADMM CCc1nc(N[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571194568 952964653 /nfs/dbraw/zinc/96/46/53/952964653.db2.gz OUUOAXMRXGDPKK-SECBINFHSA-N -1 1 382.388 -0.371 20 0 GBADMM Cn1nc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)ccc1=O ZINC001571194571 952964123 /nfs/dbraw/zinc/96/41/23/952964123.db2.gz PCKYISJHYMHSLQ-UHFFFAOYSA-N -1 1 382.388 -0.897 20 0 GBADMM Cn1nc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)ccc1=O ZINC001571194571 952964116 /nfs/dbraw/zinc/96/41/16/952964116.db2.gz PCKYISJHYMHSLQ-UHFFFAOYSA-N -1 1 382.388 -0.897 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)ncn1 ZINC001571194572 952964042 /nfs/dbraw/zinc/96/40/42/952964042.db2.gz PCLXJTZFUVFMBP-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)ncn1 ZINC001571194572 952964038 /nfs/dbraw/zinc/96/40/38/952964038.db2.gz PCLXJTZFUVFMBP-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)ncn1 ZINC001571194573 952964594 /nfs/dbraw/zinc/96/45/94/952964594.db2.gz PCLXJTZFUVFMBP-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)ncn1 ZINC001571194573 952964592 /nfs/dbraw/zinc/96/45/92/952964592.db2.gz PCLXJTZFUVFMBP-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM O=C(NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)c1cnccn1 ZINC001571194575 952964717 /nfs/dbraw/zinc/96/47/17/952964717.db2.gz PIZQKBZSJXVKEP-LLVKDONJSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)c1cnccn1 ZINC001571194575 952964714 /nfs/dbraw/zinc/96/47/14/952964714.db2.gz PIZQKBZSJXVKEP-LLVKDONJSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)c1cnccn1 ZINC001571194576 952964781 /nfs/dbraw/zinc/96/47/81/952964781.db2.gz PIZQKBZSJXVKEP-NSHDSACASA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)c1cnccn1 ZINC001571194576 952964775 /nfs/dbraw/zinc/96/47/75/952964775.db2.gz PIZQKBZSJXVKEP-NSHDSACASA-N -1 1 382.388 -0.528 20 0 GBADMM COc1ncc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001571194577 952964085 /nfs/dbraw/zinc/96/40/85/952964085.db2.gz PJNQNDSUXZPYMO-UHFFFAOYSA-N -1 1 382.388 -0.192 20 0 GBADMM COc1ncc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001571194577 952964078 /nfs/dbraw/zinc/96/40/78/952964078.db2.gz PJNQNDSUXZPYMO-UHFFFAOYSA-N -1 1 382.388 -0.192 20 0 GBADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571194580 952965688 /nfs/dbraw/zinc/96/56/88/952965688.db2.gz PLVWCBNIWUHEJJ-NXEZZACHSA-N -1 1 382.388 -0.028 20 0 GBADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571194580 952965684 /nfs/dbraw/zinc/96/56/84/952965684.db2.gz PLVWCBNIWUHEJJ-NXEZZACHSA-N -1 1 382.388 -0.028 20 0 GBADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571194581 952965654 /nfs/dbraw/zinc/96/56/54/952965654.db2.gz PLVWCBNIWUHEJJ-UWVGGRQHSA-N -1 1 382.388 -0.028 20 0 GBADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571194581 952965649 /nfs/dbraw/zinc/96/56/49/952965649.db2.gz PLVWCBNIWUHEJJ-UWVGGRQHSA-N -1 1 382.388 -0.028 20 0 GBADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571194582 952965796 /nfs/dbraw/zinc/96/57/96/952965796.db2.gz PLVWCBNIWUHEJJ-VHSXEESVSA-N -1 1 382.388 -0.028 20 0 GBADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571194582 952965789 /nfs/dbraw/zinc/96/57/89/952965789.db2.gz PLVWCBNIWUHEJJ-VHSXEESVSA-N -1 1 382.388 -0.028 20 0 GBADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571194583 952965905 /nfs/dbraw/zinc/96/59/05/952965905.db2.gz PLVWCBNIWUHEJJ-ZJUUUORDSA-N -1 1 382.388 -0.028 20 0 GBADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571194583 952965903 /nfs/dbraw/zinc/96/59/03/952965903.db2.gz PLVWCBNIWUHEJJ-ZJUUUORDSA-N -1 1 382.388 -0.028 20 0 GBADMM COc1ncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571194584 952966302 /nfs/dbraw/zinc/96/63/02/952966302.db2.gz PNCDLOQBXROSQY-LLVKDONJSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571194584 952966298 /nfs/dbraw/zinc/96/62/98/952966298.db2.gz PNCDLOQBXROSQY-LLVKDONJSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ncc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571194585 952966025 /nfs/dbraw/zinc/96/60/25/952966025.db2.gz PNCDLOQBXROSQY-NSHDSACASA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ncc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571194585 952966020 /nfs/dbraw/zinc/96/60/20/952966020.db2.gz PNCDLOQBXROSQY-NSHDSACASA-N -1 1 382.388 -0.146 20 0 GBADMM COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571194595 952965360 /nfs/dbraw/zinc/96/53/60/952965360.db2.gz PRLBLEOHTXMJIP-WOFXILAISA-N -1 1 382.388 -0.737 20 0 GBADMM COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571194595 952965353 /nfs/dbraw/zinc/96/53/53/952965353.db2.gz PRLBLEOHTXMJIP-WOFXILAISA-N -1 1 382.388 -0.737 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)c1cncnc1 ZINC001571194596 952965980 /nfs/dbraw/zinc/96/59/80/952965980.db2.gz PSWHSHXNSGJXGV-GFCCVEGCSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)c1cncnc1 ZINC001571194596 952965976 /nfs/dbraw/zinc/96/59/76/952965976.db2.gz PSWHSHXNSGJXGV-GFCCVEGCSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)c1cncnc1 ZINC001571194597 952965776 /nfs/dbraw/zinc/96/57/76/952965776.db2.gz PSWHSHXNSGJXGV-LBPRGKRZSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)c1cncnc1 ZINC001571194597 952965773 /nfs/dbraw/zinc/96/57/73/952965773.db2.gz PSWHSHXNSGJXGV-LBPRGKRZSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(c1cnn2c1OCCC2)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571194599 952965374 /nfs/dbraw/zinc/96/53/74/952965374.db2.gz PTIOAMPXBXEGCR-SNVBAGLBSA-N -1 1 382.388 -0.616 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571194602 952966228 /nfs/dbraw/zinc/96/62/28/952966228.db2.gz PVKCOWQGJPCDPS-VHSXEESVSA-N -1 1 382.388 -0.249 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571194602 952966222 /nfs/dbraw/zinc/96/62/22/952966222.db2.gz PVKCOWQGJPCDPS-VHSXEESVSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194603 952965394 /nfs/dbraw/zinc/96/53/94/952965394.db2.gz PVUVCFABTFEKDF-ZJUUUORDSA-N -1 1 382.388 -0.357 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCO3)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194603 952965389 /nfs/dbraw/zinc/96/53/89/952965389.db2.gz PVUVCFABTFEKDF-ZJUUUORDSA-N -1 1 382.388 -0.357 20 0 GBADMM Cn1cnc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cc1=O ZINC001571194606 952965577 /nfs/dbraw/zinc/96/55/77/952965577.db2.gz QBLPGRYGYQRDRL-UHFFFAOYSA-N -1 1 382.388 -0.533 20 0 GBADMM Cn1cnc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cc1=O ZINC001571194606 952965572 /nfs/dbraw/zinc/96/55/72/952965572.db2.gz QBLPGRYGYQRDRL-UHFFFAOYSA-N -1 1 382.388 -0.533 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571194613 952965339 /nfs/dbraw/zinc/96/53/39/952965339.db2.gz QFGBCUUCGOZCFW-GXSJLCMTSA-N -1 1 382.388 -0.255 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571194613 952965331 /nfs/dbraw/zinc/96/53/31/952965331.db2.gz QFGBCUUCGOZCFW-GXSJLCMTSA-N -1 1 382.388 -0.255 20 0 GBADMM COc1ccc(F)cc1CS(=O)(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001571194661 952967133 /nfs/dbraw/zinc/96/71/33/952967133.db2.gz PXRNUTBGRGNETN-UHFFFAOYSA-N -1 1 382.381 -0.275 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001571194666 952967014 /nfs/dbraw/zinc/96/70/14/952967014.db2.gz QBYUZOZEPNKFBZ-CHWSQXEVSA-N -1 1 382.384 -0.355 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001571194667 952967473 /nfs/dbraw/zinc/96/74/73/952967473.db2.gz QBYUZOZEPNKFBZ-OLZOCXBDSA-N -1 1 382.384 -0.355 20 0 GBADMM C[C@]1(NC(=O)c2cc3n(n2)CCO3)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571194673 952967464 /nfs/dbraw/zinc/96/74/64/952967464.db2.gz QGAPDJYOABTELY-INIZCTEOSA-N -1 1 382.388 -0.356 20 0 GBADMM C[C@]1(NC(=O)c2cc3n(n2)CCO3)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571194673 952967460 /nfs/dbraw/zinc/96/74/60/952967460.db2.gz QGAPDJYOABTELY-INIZCTEOSA-N -1 1 382.388 -0.356 20 0 GBADMM C[C@@]1(NC(=O)c2cc3n(n2)CCO3)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571194674 952967401 /nfs/dbraw/zinc/96/74/01/952967401.db2.gz QGAPDJYOABTELY-MRXNPFEDSA-N -1 1 382.388 -0.356 20 0 GBADMM C[C@@]1(NC(=O)c2cc3n(n2)CCO3)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571194674 952967393 /nfs/dbraw/zinc/96/73/93/952967393.db2.gz QGAPDJYOABTELY-MRXNPFEDSA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1ccc(-c2nn[nH]n2)nc1)c1ncccc1[O-] ZINC001571194677 952966963 /nfs/dbraw/zinc/96/69/63/952966963.db2.gz QKTPQHRNVXGOCR-GFCCVEGCSA-N -1 1 382.384 -0.003 20 0 GBADMM O=C(NC[C@H]1COCCN1c1ccc(-c2nn[nH]n2)nc1)c1ncccc1[O-] ZINC001571194678 952967026 /nfs/dbraw/zinc/96/70/26/952967026.db2.gz QKTPQHRNVXGOCR-LBPRGKRZSA-N -1 1 382.384 -0.003 20 0 GBADMM O=C(c1c[nH]c(=O)cn1)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571194705 952966972 /nfs/dbraw/zinc/96/69/72/952966972.db2.gz QIXHULJTWDPPJV-JTQLQIEISA-N -1 1 382.388 -0.874 20 0 GBADMM O=C(c1c[nH]c(=O)cn1)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571194710 952967189 /nfs/dbraw/zinc/96/71/89/952967189.db2.gz QIXHULJTWDPPJV-SNVBAGLBSA-N -1 1 382.388 -0.874 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)cc1=O ZINC001571194719 952966578 /nfs/dbraw/zinc/96/65/78/952966578.db2.gz QOHRQVZVFMRACB-JTQLQIEISA-N -1 1 382.388 -0.533 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)cc1=O ZINC001571194719 952966576 /nfs/dbraw/zinc/96/65/76/952966576.db2.gz QOHRQVZVFMRACB-JTQLQIEISA-N -1 1 382.388 -0.533 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)cc1=O ZINC001571194721 952967012 /nfs/dbraw/zinc/96/70/12/952967012.db2.gz QOHRQVZVFMRACB-SNVBAGLBSA-N -1 1 382.388 -0.533 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)cc1=O ZINC001571194721 952967011 /nfs/dbraw/zinc/96/70/11/952967011.db2.gz QOHRQVZVFMRACB-SNVBAGLBSA-N -1 1 382.388 -0.533 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001571194729 952967213 /nfs/dbraw/zinc/96/72/13/952967213.db2.gz RACJWJCVBPCTJK-JTQLQIEISA-N -1 1 382.388 -0.615 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001571194729 952967209 /nfs/dbraw/zinc/96/72/09/952967209.db2.gz RACJWJCVBPCTJK-JTQLQIEISA-N -1 1 382.388 -0.615 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001571194730 952966980 /nfs/dbraw/zinc/96/69/80/952966980.db2.gz RACJWJCVBPCTJK-SNVBAGLBSA-N -1 1 382.388 -0.615 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001571194730 952966979 /nfs/dbraw/zinc/96/69/79/952966979.db2.gz RACJWJCVBPCTJK-SNVBAGLBSA-N -1 1 382.388 -0.615 20 0 GBADMM COc1nccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001571194746 952968784 /nfs/dbraw/zinc/96/87/84/952968784.db2.gz RNHQNBZCPLEIEF-MWLCHTKSSA-N -1 1 382.388 -0.290 20 0 GBADMM COc1cnc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571194747 952967805 /nfs/dbraw/zinc/96/78/05/952967805.db2.gz RNVDHPZIIPZCKS-UHFFFAOYSA-N -1 1 382.388 -0.502 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001571194748 952967952 /nfs/dbraw/zinc/96/79/52/952967952.db2.gz RPKPMUSQVFHHIX-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001571194748 952967950 /nfs/dbraw/zinc/96/79/50/952967950.db2.gz RPKPMUSQVFHHIX-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001571194749 952968846 /nfs/dbraw/zinc/96/88/46/952968846.db2.gz RPKPMUSQVFHHIX-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001571194749 952968842 /nfs/dbraw/zinc/96/88/42/952968842.db2.gz RPKPMUSQVFHHIX-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001571194750 952968818 /nfs/dbraw/zinc/96/88/18/952968818.db2.gz RPKPMUSQVFHHIX-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001571194750 952968813 /nfs/dbraw/zinc/96/88/13/952968813.db2.gz RPKPMUSQVFHHIX-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001571194751 952968766 /nfs/dbraw/zinc/96/87/66/952968766.db2.gz RPKPMUSQVFHHIX-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001571194751 952968759 /nfs/dbraw/zinc/96/87/59/952968759.db2.gz RPKPMUSQVFHHIX-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM Cc1nc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c(=O)[nH]c1C ZINC001571194752 952968454 /nfs/dbraw/zinc/96/84/54/952968454.db2.gz RRKPERUXKIXLPW-UHFFFAOYSA-N -1 1 382.388 -0.681 20 0 GBADMM Cc1nc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c(=O)[nH]c1C ZINC001571194752 952968451 /nfs/dbraw/zinc/96/84/51/952968451.db2.gz RRKPERUXKIXLPW-UHFFFAOYSA-N -1 1 382.388 -0.681 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1=O ZINC001571194753 952968802 /nfs/dbraw/zinc/96/88/02/952968802.db2.gz RUTHHIJNEDDUKK-JTQLQIEISA-N -1 1 382.388 -0.533 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1=O ZINC001571194753 952968797 /nfs/dbraw/zinc/96/87/97/952968797.db2.gz RUTHHIJNEDDUKK-JTQLQIEISA-N -1 1 382.388 -0.533 20 0 GBADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)c1c[nH]c(=O)cn1 ZINC001571194758 952968746 /nfs/dbraw/zinc/96/87/46/952968746.db2.gz SAITXRDJJKOANT-MGCOHNPYSA-N -1 1 382.388 -0.107 20 0 GBADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)c1c[nH]c(=O)cn1 ZINC001571194758 952968739 /nfs/dbraw/zinc/96/87/39/952968739.db2.gz SAITXRDJJKOANT-MGCOHNPYSA-N -1 1 382.388 -0.107 20 0 GBADMM O=C(CCn1cnccc1=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194765 952968441 /nfs/dbraw/zinc/96/84/41/952968441.db2.gz SEYRPAYWEUDWGQ-LLVKDONJSA-N -1 1 382.388 -0.684 20 0 GBADMM O=C(CCn1cnccc1=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194765 952968436 /nfs/dbraw/zinc/96/84/36/952968436.db2.gz SEYRPAYWEUDWGQ-LLVKDONJSA-N -1 1 382.388 -0.684 20 0 GBADMM O=C(CCn1cnccc1=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194766 952968135 /nfs/dbraw/zinc/96/81/35/952968135.db2.gz SEYRPAYWEUDWGQ-NSHDSACASA-N -1 1 382.388 -0.684 20 0 GBADMM O=C(CCn1cnccc1=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194766 952968131 /nfs/dbraw/zinc/96/81/31/952968131.db2.gz SEYRPAYWEUDWGQ-NSHDSACASA-N -1 1 382.388 -0.684 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571194769 952967727 /nfs/dbraw/zinc/96/77/27/952967727.db2.gz SGCDILSYSUZVNZ-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571194769 952967722 /nfs/dbraw/zinc/96/77/22/952967722.db2.gz SGCDILSYSUZVNZ-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1cnc[nH]c1=O)c1cncc(-c2nn[n-]n2)n1 ZINC001571194770 952968727 /nfs/dbraw/zinc/96/87/27/952968727.db2.gz SKDHTKBYNRZPQI-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1cnc[nH]c1=O)c1cncc(-c2nnn[n-]2)n1 ZINC001571194770 952968723 /nfs/dbraw/zinc/96/87/23/952968723.db2.gz SKDHTKBYNRZPQI-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1cnc[nH]c1=O)c1cncc(-c2nn[n-]n2)n1 ZINC001571194771 952968145 /nfs/dbraw/zinc/96/81/45/952968145.db2.gz SKDHTKBYNRZPQI-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1cnc[nH]c1=O)c1cncc(-c2nnn[n-]2)n1 ZINC001571194771 952968141 /nfs/dbraw/zinc/96/81/41/952968141.db2.gz SKDHTKBYNRZPQI-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM Cc1nccc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571194774 952968175 /nfs/dbraw/zinc/96/81/75/952968175.db2.gz SLHINPNZZISHAA-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nccc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571194775 952968230 /nfs/dbraw/zinc/96/82/30/952968230.db2.gz SLHINPNZZISHAA-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cn1cnc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571194778 952968633 /nfs/dbraw/zinc/96/86/33/952968633.db2.gz SSIMEUOHWZJXMI-JTQLQIEISA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1cnc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571194779 952968124 /nfs/dbraw/zinc/96/81/24/952968124.db2.gz SSIMEUOHWZJXMI-SNVBAGLBSA-N -1 1 382.388 -0.851 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1c[nH]nc1C1CC1 ZINC001571194780 952968218 /nfs/dbraw/zinc/96/82/18/952968218.db2.gz STBNOIMFZKVDNX-NEPJUHHUSA-N -1 1 382.388 -0.763 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1c[nH]nc1C1CC1 ZINC001571194780 952968214 /nfs/dbraw/zinc/96/82/14/952968214.db2.gz STBNOIMFZKVDNX-NEPJUHHUSA-N -1 1 382.388 -0.763 20 0 GBADMM Cc1n[nH]c(=O)c(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1C ZINC001571194781 952967853 /nfs/dbraw/zinc/96/78/53/952967853.db2.gz STEKYYHWRMZYTH-UHFFFAOYSA-N -1 1 382.388 -0.268 20 0 GBADMM Cc1n[nH]c(=O)c(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1C ZINC001571194781 952967847 /nfs/dbraw/zinc/96/78/47/952967847.db2.gz STEKYYHWRMZYTH-UHFFFAOYSA-N -1 1 382.388 -0.268 20 0 GBADMM O=C(NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)c1cccnn1 ZINC001571194784 952968153 /nfs/dbraw/zinc/96/81/53/952968153.db2.gz SVZGTMJKQJHOLA-LLVKDONJSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)c1cccnn1 ZINC001571194784 952968152 /nfs/dbraw/zinc/96/81/52/952968152.db2.gz SVZGTMJKQJHOLA-LLVKDONJSA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)c1cccnn1 ZINC001571194785 952968258 /nfs/dbraw/zinc/96/82/58/952968258.db2.gz SVZGTMJKQJHOLA-NSHDSACASA-N -1 1 382.388 -0.528 20 0 GBADMM O=C(NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)c1cccnn1 ZINC001571194785 952968253 /nfs/dbraw/zinc/96/82/53/952968253.db2.gz SVZGTMJKQJHOLA-NSHDSACASA-N -1 1 382.388 -0.528 20 0 GBADMM COc1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571194790 952968265 /nfs/dbraw/zinc/96/82/65/952968265.db2.gz SYXRADXSGSRSAX-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571194791 952968514 /nfs/dbraw/zinc/96/85/14/952968514.db2.gz SYXRADXSGSRSAX-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194792 952967873 /nfs/dbraw/zinc/96/78/73/952967873.db2.gz TTYMNMSNZCXAJL-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194792 952967867 /nfs/dbraw/zinc/96/78/67/952967867.db2.gz TTYMNMSNZCXAJL-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194793 952968677 /nfs/dbraw/zinc/96/86/77/952968677.db2.gz TTYMNMSNZCXAJL-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194793 952968674 /nfs/dbraw/zinc/96/86/74/952968674.db2.gz TTYMNMSNZCXAJL-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194794 952967967 /nfs/dbraw/zinc/96/79/67/952967967.db2.gz TTYMNMSNZCXAJL-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194794 952967962 /nfs/dbraw/zinc/96/79/62/952967962.db2.gz TTYMNMSNZCXAJL-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571194795 952967749 /nfs/dbraw/zinc/96/77/49/952967749.db2.gz TTYMNMSNZCXAJL-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571194795 952967744 /nfs/dbraw/zinc/96/77/44/952967744.db2.gz TTYMNMSNZCXAJL-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571194796 952968365 /nfs/dbraw/zinc/96/83/65/952968365.db2.gz TWWUHTLNFFMSNO-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571194796 952968360 /nfs/dbraw/zinc/96/83/60/952968360.db2.gz TWWUHTLNFFMSNO-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571194797 952968566 /nfs/dbraw/zinc/96/85/66/952968566.db2.gz TWWUHTLNFFMSNO-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571194797 952968562 /nfs/dbraw/zinc/96/85/62/952968562.db2.gz TWWUHTLNFFMSNO-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571194798 952968582 /nfs/dbraw/zinc/96/85/82/952968582.db2.gz TWWUHTLNFFMSNO-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571194798 952968578 /nfs/dbraw/zinc/96/85/78/952968578.db2.gz TWWUHTLNFFMSNO-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571194799 952967903 /nfs/dbraw/zinc/96/79/03/952967903.db2.gz TWWUHTLNFFMSNO-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571194799 952967900 /nfs/dbraw/zinc/96/79/00/952967900.db2.gz TWWUHTLNFFMSNO-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001571194804 952968090 /nfs/dbraw/zinc/96/80/90/952968090.db2.gz UAPIDRYGHGLTQL-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001571194804 952968084 /nfs/dbraw/zinc/96/80/84/952968084.db2.gz UAPIDRYGHGLTQL-JTQLQIEISA-N -1 1 382.388 -0.107 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001571194805 952968323 /nfs/dbraw/zinc/96/83/23/952968323.db2.gz UAPIDRYGHGLTQL-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001571194805 952968320 /nfs/dbraw/zinc/96/83/20/952968320.db2.gz UAPIDRYGHGLTQL-SNVBAGLBSA-N -1 1 382.388 -0.107 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194806 952968622 /nfs/dbraw/zinc/96/86/22/952968622.db2.gz UBFKPOLNFWWBRR-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194806 952968619 /nfs/dbraw/zinc/96/86/19/952968619.db2.gz UBFKPOLNFWWBRR-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194807 952967888 /nfs/dbraw/zinc/96/78/88/952967888.db2.gz UBFKPOLNFWWBRR-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194807 952967883 /nfs/dbraw/zinc/96/78/83/952967883.db2.gz UBFKPOLNFWWBRR-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194808 952968414 /nfs/dbraw/zinc/96/84/14/952968414.db2.gz UBFKPOLNFWWBRR-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194808 952968409 /nfs/dbraw/zinc/96/84/09/952968409.db2.gz UBFKPOLNFWWBRR-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194809 952968661 /nfs/dbraw/zinc/96/86/61/952968661.db2.gz UBFKPOLNFWWBRR-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001571194809 952968656 /nfs/dbraw/zinc/96/86/56/952968656.db2.gz UBFKPOLNFWWBRR-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001571194835 952969281 /nfs/dbraw/zinc/96/92/81/952969281.db2.gz SOPZCSLVTJSRCD-CMPLNLGQSA-N -1 1 382.388 -0.790 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001571194836 952970080 /nfs/dbraw/zinc/97/00/80/952970080.db2.gz SOPZCSLVTJSRCD-JQWIXIFHSA-N -1 1 382.388 -0.790 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001571194837 952969393 /nfs/dbraw/zinc/96/93/93/952969393.db2.gz SOPZCSLVTJSRCD-PWSUYJOCSA-N -1 1 382.388 -0.790 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001571194838 952969428 /nfs/dbraw/zinc/96/94/28/952969428.db2.gz SOPZCSLVTJSRCD-ZYHUDNBSSA-N -1 1 382.388 -0.790 20 0 GBADMM O=C1COC[C@]2(CNc3c4ccccc4nnc3-c3nn[n-]n3)COCCN12 ZINC001571194854 952970125 /nfs/dbraw/zinc/97/01/25/952970125.db2.gz SZDBCDDFPBAGGI-KRWDZBQOSA-N -1 1 382.384 -0.150 20 0 GBADMM O=C1COC[C@]2(CNc3c4ccccc4nnc3-c3nnn[n-]3)COCCN12 ZINC001571194854 952970120 /nfs/dbraw/zinc/97/01/20/952970120.db2.gz SZDBCDDFPBAGGI-KRWDZBQOSA-N -1 1 382.384 -0.150 20 0 GBADMM O=C1COC[C@@]2(CNc3c4ccccc4nnc3-c3nn[n-]n3)COCCN12 ZINC001571194855 952969200 /nfs/dbraw/zinc/96/92/00/952969200.db2.gz SZDBCDDFPBAGGI-QGZVFWFLSA-N -1 1 382.384 -0.150 20 0 GBADMM O=C1COC[C@@]2(CNc3c4ccccc4nnc3-c3nnn[n-]3)COCCN12 ZINC001571194855 952969197 /nfs/dbraw/zinc/96/91/97/952969197.db2.gz SZDBCDDFPBAGGI-QGZVFWFLSA-N -1 1 382.384 -0.150 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)CCO1)c1ncccc1[O-] ZINC001571194867 952969969 /nfs/dbraw/zinc/96/99/69/952969969.db2.gz UKWUXURLZXWJBJ-GFCCVEGCSA-N -1 1 382.384 -0.003 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[nH]n3)cn2)CCO1)c1ncccc1[O-] ZINC001571194868 952970065 /nfs/dbraw/zinc/97/00/65/952970065.db2.gz UKWUXURLZXWJBJ-LBPRGKRZSA-N -1 1 382.384 -0.003 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1ccccc1O ZINC001571194907 952970584 /nfs/dbraw/zinc/97/05/84/952970584.db2.gz WCCCYFXBYCDIHY-LLVKDONJSA-N -1 1 382.384 -0.003 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1ccccc1O ZINC001571194908 952970523 /nfs/dbraw/zinc/97/05/23/952970523.db2.gz WCCCYFXBYCDIHY-NSHDSACASA-N -1 1 382.384 -0.003 20 0 GBADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571194911 952971568 /nfs/dbraw/zinc/97/15/68/952971568.db2.gz WFBZNTLGKRCVDA-NXEZZACHSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571194911 952971563 /nfs/dbraw/zinc/97/15/63/952971563.db2.gz WFBZNTLGKRCVDA-NXEZZACHSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571194912 952971145 /nfs/dbraw/zinc/97/11/45/952971145.db2.gz WFBZNTLGKRCVDA-UWVGGRQHSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571194912 952971138 /nfs/dbraw/zinc/97/11/38/952971138.db2.gz WFBZNTLGKRCVDA-UWVGGRQHSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571194913 952970978 /nfs/dbraw/zinc/97/09/78/952970978.db2.gz WFBZNTLGKRCVDA-VHSXEESVSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571194913 952970973 /nfs/dbraw/zinc/97/09/73/952970973.db2.gz WFBZNTLGKRCVDA-VHSXEESVSA-N -1 1 382.388 -0.297 20 0 GBADMM Cc1noc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)n1 ZINC001571194917 952971359 /nfs/dbraw/zinc/97/13/59/952971359.db2.gz UDGRDSSKNYZVKF-QWRGUYRKSA-N -1 1 382.388 -0.230 20 0 GBADMM Cc1noc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)n1 ZINC001571194917 952971353 /nfs/dbraw/zinc/97/13/53/952971353.db2.gz UDGRDSSKNYZVKF-QWRGUYRKSA-N -1 1 382.388 -0.230 20 0 GBADMM O=C(c1cc2n(n1)CCCO2)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571194918 952971638 /nfs/dbraw/zinc/97/16/38/952971638.db2.gz UFKZLRBSFFYMDF-UHFFFAOYSA-N -1 1 382.388 -0.402 20 0 GBADMM O=C(c1cc2n(n1)CCCO2)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571194918 952971631 /nfs/dbraw/zinc/97/16/31/952971631.db2.gz UFKZLRBSFFYMDF-UHFFFAOYSA-N -1 1 382.388 -0.402 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)ncn1 ZINC001571194920 952971432 /nfs/dbraw/zinc/97/14/32/952971432.db2.gz UFWFGXBXQWHNNO-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)ncn1 ZINC001571194921 952971026 /nfs/dbraw/zinc/97/10/26/952971026.db2.gz UFWFGXBXQWHNNO-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571194926 952971595 /nfs/dbraw/zinc/97/15/95/952971595.db2.gz UMEXSUSLNRZECY-WDEREUQCSA-N -1 1 382.388 -0.060 20 0 GBADMM O=C(NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1c[nH]c(=O)cn1 ZINC001571194927 952971264 /nfs/dbraw/zinc/97/12/64/952971264.db2.gz UMLCVLSTNXGNIA-UHFFFAOYSA-N -1 1 382.388 -0.614 20 0 GBADMM O=C(NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1c[nH]c(=O)cn1 ZINC001571194927 952971257 /nfs/dbraw/zinc/97/12/57/952971257.db2.gz UMLCVLSTNXGNIA-UHFFFAOYSA-N -1 1 382.388 -0.614 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571194928 952970907 /nfs/dbraw/zinc/97/09/07/952970907.db2.gz UMZUXMLELHXMIK-UHFFFAOYSA-N -1 1 382.388 -0.654 20 0 GBADMM O=C(c1cn2c(n1)COCC2)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571194928 952970901 /nfs/dbraw/zinc/97/09/01/952970901.db2.gz UMZUXMLELHXMIK-UHFFFAOYSA-N -1 1 382.388 -0.654 20 0 GBADMM O=C(c1c[nH]c(=O)cn1)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571194929 952971652 /nfs/dbraw/zinc/97/16/52/952971652.db2.gz UOXSJRCBXJTGLU-UHFFFAOYSA-N -1 1 382.388 -0.296 20 0 GBADMM O=C(c1c[nH]c(=O)cn1)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571194929 952971647 /nfs/dbraw/zinc/97/16/47/952971647.db2.gz UOXSJRCBXJTGLU-UHFFFAOYSA-N -1 1 382.388 -0.296 20 0 GBADMM Cc1ccnc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)n1 ZINC001571194931 952970992 /nfs/dbraw/zinc/97/09/92/952970992.db2.gz USVAWNCVVXWLLQ-GHMZBOCLSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1ccnc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)n1 ZINC001571194932 952970779 /nfs/dbraw/zinc/97/07/79/952970779.db2.gz USVAWNCVVXWLLQ-MNOVXSKESA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1ccnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)n1 ZINC001571194933 952970509 /nfs/dbraw/zinc/97/05/09/952970509.db2.gz USVAWNCVVXWLLQ-QWRGUYRKSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1ccnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)n1 ZINC001571194934 952971366 /nfs/dbraw/zinc/97/13/66/952971366.db2.gz USVAWNCVVXWLLQ-WDEREUQCSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571194936 952971341 /nfs/dbraw/zinc/97/13/41/952971341.db2.gz UWGVQXNCDWMZTG-AAEUAGOBSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571194936 952971338 /nfs/dbraw/zinc/97/13/38/952971338.db2.gz UWGVQXNCDWMZTG-AAEUAGOBSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571194937 952971168 /nfs/dbraw/zinc/97/11/68/952971168.db2.gz UWGVQXNCDWMZTG-DGCLKSJQSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571194937 952971159 /nfs/dbraw/zinc/97/11/59/952971159.db2.gz UWGVQXNCDWMZTG-DGCLKSJQSA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571194938 952970753 /nfs/dbraw/zinc/97/07/53/952970753.db2.gz UWGVQXNCDWMZTG-WCQYABFASA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571194938 952970747 /nfs/dbraw/zinc/97/07/47/952970747.db2.gz UWGVQXNCDWMZTG-WCQYABFASA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571194939 952971108 /nfs/dbraw/zinc/97/11/08/952971108.db2.gz UWGVQXNCDWMZTG-YPMHNXCESA-N -1 1 382.388 -0.875 20 0 GBADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571194939 952971101 /nfs/dbraw/zinc/97/11/01/952971101.db2.gz UWGVQXNCDWMZTG-YPMHNXCESA-N -1 1 382.388 -0.875 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194940 952971186 /nfs/dbraw/zinc/97/11/86/952971186.db2.gz UWWPIPVHZPTXOM-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194940 952971179 /nfs/dbraw/zinc/97/11/79/952971179.db2.gz UWWPIPVHZPTXOM-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194941 952971012 /nfs/dbraw/zinc/97/10/12/952971012.db2.gz UWWPIPVHZPTXOM-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194941 952971008 /nfs/dbraw/zinc/97/10/08/952971008.db2.gz UWWPIPVHZPTXOM-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194942 952971391 /nfs/dbraw/zinc/97/13/91/952971391.db2.gz UWWPIPVHZPTXOM-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194942 952971386 /nfs/dbraw/zinc/97/13/86/952971386.db2.gz UWWPIPVHZPTXOM-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571194943 952971582 /nfs/dbraw/zinc/97/15/82/952971582.db2.gz UWWPIPVHZPTXOM-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571194943 952971578 /nfs/dbraw/zinc/97/15/78/952971578.db2.gz UWWPIPVHZPTXOM-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM COc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571194944 952970607 /nfs/dbraw/zinc/97/06/07/952970607.db2.gz UXFIPELOCBILHL-JTQLQIEISA-N -1 1 382.388 -0.288 20 0 GBADMM COc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571194944 952970601 /nfs/dbraw/zinc/97/06/01/952970601.db2.gz UXFIPELOCBILHL-JTQLQIEISA-N -1 1 382.388 -0.288 20 0 GBADMM COc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571194945 952970893 /nfs/dbraw/zinc/97/08/93/952970893.db2.gz UXFIPELOCBILHL-SNVBAGLBSA-N -1 1 382.388 -0.288 20 0 GBADMM COc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571194945 952970888 /nfs/dbraw/zinc/97/08/88/952970888.db2.gz UXFIPELOCBILHL-SNVBAGLBSA-N -1 1 382.388 -0.288 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001571194946 952970499 /nfs/dbraw/zinc/97/04/99/952970499.db2.gz UXXDXSFQCGLHTH-AOOOYVTPSA-N -1 1 382.388 -0.568 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001571194946 952970493 /nfs/dbraw/zinc/97/04/93/952970493.db2.gz UXXDXSFQCGLHTH-AOOOYVTPSA-N -1 1 382.388 -0.568 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(=O)[nH]n3)[C@H]2C)n1 ZINC001571194947 952971422 /nfs/dbraw/zinc/97/14/22/952971422.db2.gz UYNDNYWNCWGNQU-ZJUUUORDSA-N -1 1 382.388 -0.142 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(=O)[nH]n3)[C@H]2C)n1 ZINC001571194947 952971417 /nfs/dbraw/zinc/97/14/17/952971417.db2.gz UYNDNYWNCWGNQU-ZJUUUORDSA-N -1 1 382.388 -0.142 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)n1 ZINC001571194953 952971048 /nfs/dbraw/zinc/97/10/48/952971048.db2.gz VENKWSNFWANBDB-UHFFFAOYSA-N -1 1 382.388 -0.484 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)n1 ZINC001571194953 952971042 /nfs/dbraw/zinc/97/10/42/952971042.db2.gz VENKWSNFWANBDB-UHFFFAOYSA-N -1 1 382.388 -0.484 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3ccnnc3)CCO2)n1 ZINC001571194958 952970857 /nfs/dbraw/zinc/97/08/57/952970857.db2.gz VIMBYWPWCCRLPY-GFCCVEGCSA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3ccnnc3)CCO2)n1 ZINC001571194958 952970853 /nfs/dbraw/zinc/97/08/53/952970853.db2.gz VIMBYWPWCCRLPY-GFCCVEGCSA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3ccnnc3)CCO2)n1 ZINC001571194959 952970664 /nfs/dbraw/zinc/97/06/64/952970664.db2.gz VIMBYWPWCCRLPY-LBPRGKRZSA-N -1 1 382.388 -0.292 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3ccnnc3)CCO2)n1 ZINC001571194959 952970661 /nfs/dbraw/zinc/97/06/61/952970661.db2.gz VIMBYWPWCCRLPY-LBPRGKRZSA-N -1 1 382.388 -0.292 20 0 GBADMM COc1ccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571194963 952971699 /nfs/dbraw/zinc/97/16/99/952971699.db2.gz VOBHCUYGLBSXTB-INIZCTEOSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571194963 952971694 /nfs/dbraw/zinc/97/16/94/952971694.db2.gz VOBHCUYGLBSXTB-INIZCTEOSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571194964 952970928 /nfs/dbraw/zinc/97/09/28/952970928.db2.gz VOBHCUYGLBSXTB-MRXNPFEDSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571194964 952970921 /nfs/dbraw/zinc/97/09/21/952970921.db2.gz VOBHCUYGLBSXTB-MRXNPFEDSA-N -1 1 382.388 -0.146 20 0 GBADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1c[nH]nc1C1CC1 ZINC001571194966 952970705 /nfs/dbraw/zinc/97/07/05/952970705.db2.gz VPKBLWMNXFQSBJ-MNOVXSKESA-N -1 1 382.388 -0.763 20 0 GBADMM O=C(Cn1ncnn1)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571194967 952970683 /nfs/dbraw/zinc/97/06/83/952970683.db2.gz VQDZIBWFWTXQKG-UHFFFAOYSA-N -1 1 382.392 -0.817 20 0 GBADMM O=C(Cn1ncnn1)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571194967 952970679 /nfs/dbraw/zinc/97/06/79/952970679.db2.gz VQDZIBWFWTXQKG-UHFFFAOYSA-N -1 1 382.392 -0.817 20 0 GBADMM COc1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)cn1 ZINC001571194968 952971291 /nfs/dbraw/zinc/97/12/91/952971291.db2.gz VRWQWMUGOAZEPE-KOLCDFICSA-N -1 1 382.388 -0.148 20 0 GBADMM COc1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)cn1 ZINC001571194968 952971287 /nfs/dbraw/zinc/97/12/87/952971287.db2.gz VRWQWMUGOAZEPE-KOLCDFICSA-N -1 1 382.388 -0.148 20 0 GBADMM COc1cncc(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571194969 952971272 /nfs/dbraw/zinc/97/12/72/952971272.db2.gz VSUVWLFOPVDMNE-UHFFFAOYSA-N -1 1 382.388 -0.192 20 0 GBADMM Cc1nnccc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571194970 952970573 /nfs/dbraw/zinc/97/05/73/952970573.db2.gz VSVHCPFWVYSIHS-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nnccc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571194970 952970563 /nfs/dbraw/zinc/97/05/63/952970563.db2.gz VSVHCPFWVYSIHS-LLVKDONJSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nnccc1C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571194971 952971554 /nfs/dbraw/zinc/97/15/54/952971554.db2.gz VSVHCPFWVYSIHS-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nnccc1C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571194971 952971547 /nfs/dbraw/zinc/97/15/47/952971547.db2.gz VSVHCPFWVYSIHS-NSHDSACASA-N -1 1 382.388 -0.610 20 0 GBADMM Cn1nc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)ccc1=O ZINC001571194974 952971533 /nfs/dbraw/zinc/97/15/33/952971533.db2.gz WEOHKUNURFFSAQ-JTQLQIEISA-N -1 1 382.388 -0.533 20 0 GBADMM Cn1nc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)ccc1=O ZINC001571194974 952971525 /nfs/dbraw/zinc/97/15/25/952971525.db2.gz WEOHKUNURFFSAQ-JTQLQIEISA-N -1 1 382.388 -0.533 20 0 GBADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnc2n1CCOC2 ZINC001571194975 952971310 /nfs/dbraw/zinc/97/13/10/952971310.db2.gz WEPVXJXJSCSTIO-JTQLQIEISA-N -1 1 382.388 -0.608 20 0 GBADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnc2n1CCOC2 ZINC001571194975 952971307 /nfs/dbraw/zinc/97/13/07/952971307.db2.gz WEPVXJXJSCSTIO-JTQLQIEISA-N -1 1 382.388 -0.608 20 0 GBADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnc2n1CCOC2 ZINC001571194976 952971088 /nfs/dbraw/zinc/97/10/88/952971088.db2.gz WEPVXJXJSCSTIO-SNVBAGLBSA-N -1 1 382.388 -0.608 20 0 GBADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnc2n1CCOC2 ZINC001571194976 952971081 /nfs/dbraw/zinc/97/10/81/952971081.db2.gz WEPVXJXJSCSTIO-SNVBAGLBSA-N -1 1 382.388 -0.608 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)cnn1 ZINC001571194980 952972711 /nfs/dbraw/zinc/97/27/11/952972711.db2.gz WJCANANUHKQUML-GFCCVEGCSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)cnn1 ZINC001571194980 952972708 /nfs/dbraw/zinc/97/27/08/952972708.db2.gz WJCANANUHKQUML-GFCCVEGCSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)cnn1 ZINC001571194981 952972888 /nfs/dbraw/zinc/97/28/88/952972888.db2.gz WJCANANUHKQUML-LBPRGKRZSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)cnn1 ZINC001571194981 952972884 /nfs/dbraw/zinc/97/28/84/952972884.db2.gz WJCANANUHKQUML-LBPRGKRZSA-N -1 1 382.388 -0.610 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194986 952972605 /nfs/dbraw/zinc/97/26/05/952972605.db2.gz WLFRSNYWNWDAOZ-INIZCTEOSA-N -1 1 382.388 -0.140 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194987 952972221 /nfs/dbraw/zinc/97/22/21/952972221.db2.gz WLFRSNYWNWDAOZ-MRXNPFEDSA-N -1 1 382.388 -0.140 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC001571194991 952971940 /nfs/dbraw/zinc/97/19/40/952971940.db2.gz WOWWBBMZCTWEGR-AOOOYVTPSA-N -1 1 382.388 -0.331 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC001571194991 952971931 /nfs/dbraw/zinc/97/19/31/952971931.db2.gz WOWWBBMZCTWEGR-AOOOYVTPSA-N -1 1 382.388 -0.331 20 0 GBADMM COc1ccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571194994 952972779 /nfs/dbraw/zinc/97/27/79/952972779.db2.gz WSYUHHRPIQRQAH-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571194994 952972773 /nfs/dbraw/zinc/97/27/73/952972773.db2.gz WSYUHHRPIQRQAH-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571194995 952972555 /nfs/dbraw/zinc/97/25/55/952972555.db2.gz WSYUHHRPIQRQAH-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM COc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571194995 952972552 /nfs/dbraw/zinc/97/25/52/952972552.db2.gz WSYUHHRPIQRQAH-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM O=C(c1c[nH]c(=O)cn1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571194999 952972188 /nfs/dbraw/zinc/97/21/88/952972188.db2.gz WZORAUJPTAUASN-JTQLQIEISA-N -1 1 382.388 -0.153 20 0 GBADMM O=C(c1c[nH]c(=O)cn1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571194999 952972185 /nfs/dbraw/zinc/97/21/85/952972185.db2.gz WZORAUJPTAUASN-JTQLQIEISA-N -1 1 382.388 -0.153 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn2c1OCCC2 ZINC001571195001 952971970 /nfs/dbraw/zinc/97/19/70/952971970.db2.gz XAZPORJPXGSVQF-MGCOHNPYSA-N -1 1 382.388 -0.570 20 0 GBADMM CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571195003 952972505 /nfs/dbraw/zinc/97/25/05/952972505.db2.gz XEKBZAGJUFXCCE-JTQLQIEISA-N -1 1 382.388 -0.565 20 0 GBADMM CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571195003 952972498 /nfs/dbraw/zinc/97/24/98/952972498.db2.gz XEKBZAGJUFXCCE-JTQLQIEISA-N -1 1 382.388 -0.565 20 0 GBADMM CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571195004 952972843 /nfs/dbraw/zinc/97/28/43/952972843.db2.gz XEKBZAGJUFXCCE-SNVBAGLBSA-N -1 1 382.388 -0.565 20 0 GBADMM CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571195004 952972841 /nfs/dbraw/zinc/97/28/41/952972841.db2.gz XEKBZAGJUFXCCE-SNVBAGLBSA-N -1 1 382.388 -0.565 20 0 GBADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571195005 952972059 /nfs/dbraw/zinc/97/20/59/952972059.db2.gz XGLYQVVYGZQQCC-JTQLQIEISA-N -1 1 382.388 -0.519 20 0 GBADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571195006 952972210 /nfs/dbraw/zinc/97/22/10/952972210.db2.gz XGLYQVVYGZQQCC-SNVBAGLBSA-N -1 1 382.388 -0.519 20 0 GBADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cn2c(n1)COCC2 ZINC001571195010 952972322 /nfs/dbraw/zinc/97/23/22/952972322.db2.gz XJGXHYRCOALCSF-SNVBAGLBSA-N -1 1 382.388 -0.608 20 0 GBADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cn2c(n1)COCC2 ZINC001571195010 952972317 /nfs/dbraw/zinc/97/23/17/952972317.db2.gz XJGXHYRCOALCSF-SNVBAGLBSA-N -1 1 382.388 -0.608 20 0 GBADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc2n(n1)CCO2 ZINC001571195011 952972799 /nfs/dbraw/zinc/97/27/99/952972799.db2.gz XNXONTNCZHYFBZ-JTQLQIEISA-N -1 1 382.388 -0.498 20 0 GBADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc2n(n1)CCO2 ZINC001571195011 952972791 /nfs/dbraw/zinc/97/27/91/952972791.db2.gz XNXONTNCZHYFBZ-JTQLQIEISA-N -1 1 382.388 -0.498 20 0 GBADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc2n(n1)CCO2 ZINC001571195012 952972597 /nfs/dbraw/zinc/97/25/97/952972597.db2.gz XNXONTNCZHYFBZ-SNVBAGLBSA-N -1 1 382.388 -0.498 20 0 GBADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc2n(n1)CCO2 ZINC001571195012 952972595 /nfs/dbraw/zinc/97/25/95/952972595.db2.gz XNXONTNCZHYFBZ-SNVBAGLBSA-N -1 1 382.388 -0.498 20 0 GBADMM O=C(c1cc2n(n1)CCO2)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571195013 952972358 /nfs/dbraw/zinc/97/23/58/952972358.db2.gz XOKVGYCCBUEAFL-JTQLQIEISA-N -1 1 382.388 -0.038 20 0 GBADMM O=C(c1cc2n(n1)CCO2)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571195013 952972353 /nfs/dbraw/zinc/97/23/53/952972353.db2.gz XOKVGYCCBUEAFL-JTQLQIEISA-N -1 1 382.388 -0.038 20 0 GBADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571195014 952972260 /nfs/dbraw/zinc/97/22/60/952972260.db2.gz WFBZNTLGKRCVDA-ZJUUUORDSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571195014 952972256 /nfs/dbraw/zinc/97/22/56/952972256.db2.gz WFBZNTLGKRCVDA-ZJUUUORDSA-N -1 1 382.388 -0.297 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1ccccc1O ZINC001571195021 952972168 /nfs/dbraw/zinc/97/21/68/952972168.db2.gz WKSOGIONXZBPMA-AAEUAGOBSA-N -1 1 382.384 -0.268 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1ccccc1O ZINC001571195021 952972166 /nfs/dbraw/zinc/97/21/66/952972166.db2.gz WKSOGIONXZBPMA-AAEUAGOBSA-N -1 1 382.384 -0.268 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccccc1O ZINC001571195022 952972002 /nfs/dbraw/zinc/97/20/02/952972002.db2.gz WKSOGIONXZBPMA-DGCLKSJQSA-N -1 1 382.384 -0.268 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccccc1O ZINC001571195022 952971994 /nfs/dbraw/zinc/97/19/94/952971994.db2.gz WKSOGIONXZBPMA-DGCLKSJQSA-N -1 1 382.384 -0.268 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccccc1O ZINC001571195023 952972652 /nfs/dbraw/zinc/97/26/52/952972652.db2.gz WKSOGIONXZBPMA-WCQYABFASA-N -1 1 382.384 -0.268 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccccc1O ZINC001571195023 952972649 /nfs/dbraw/zinc/97/26/49/952972649.db2.gz WKSOGIONXZBPMA-WCQYABFASA-N -1 1 382.384 -0.268 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1ccccc1O ZINC001571195024 952972027 /nfs/dbraw/zinc/97/20/27/952972027.db2.gz WKSOGIONXZBPMA-YPMHNXCESA-N -1 1 382.384 -0.268 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1ccccc1O ZINC001571195024 952972021 /nfs/dbraw/zinc/97/20/21/952972021.db2.gz WKSOGIONXZBPMA-YPMHNXCESA-N -1 1 382.384 -0.268 20 0 GBADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571195057 952972103 /nfs/dbraw/zinc/97/21/03/952972103.db2.gz XGHRUBAZXXTNEV-INIZCTEOSA-N -1 1 382.388 -0.296 20 0 GBADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571195057 952972100 /nfs/dbraw/zinc/97/21/00/952972100.db2.gz XGHRUBAZXXTNEV-INIZCTEOSA-N -1 1 382.388 -0.296 20 0 GBADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571195058 952974131 /nfs/dbraw/zinc/97/41/31/952974131.db2.gz XGHRUBAZXXTNEV-MRXNPFEDSA-N -1 1 382.388 -0.296 20 0 GBADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571195058 952974129 /nfs/dbraw/zinc/97/41/29/952974129.db2.gz XGHRUBAZXXTNEV-MRXNPFEDSA-N -1 1 382.388 -0.296 20 0 GBADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCS(=O)(=O)CC(F)(F)F)n1 ZINC001571195073 952974194 /nfs/dbraw/zinc/97/41/94/952974194.db2.gz XQXZQSDFWJOOTA-UHFFFAOYSA-N -1 1 382.328 -0.301 20 0 GBADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCS(=O)(=O)CC(F)(F)F)n1 ZINC001571195073 952974192 /nfs/dbraw/zinc/97/41/92/952974192.db2.gz XQXZQSDFWJOOTA-UHFFFAOYSA-N -1 1 382.328 -0.301 20 0 GBADMM C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571195135 952973978 /nfs/dbraw/zinc/97/39/78/952973978.db2.gz XYLXZEJYVYPWFW-NXEZZACHSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571195135 952973973 /nfs/dbraw/zinc/97/39/73/952973973.db2.gz XYLXZEJYVYPWFW-NXEZZACHSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571195137 952974150 /nfs/dbraw/zinc/97/41/50/952974150.db2.gz XYLXZEJYVYPWFW-UWVGGRQHSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571195137 952974146 /nfs/dbraw/zinc/97/41/46/952974146.db2.gz XYLXZEJYVYPWFW-UWVGGRQHSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571195139 952975640 /nfs/dbraw/zinc/97/56/40/952975640.db2.gz XYLXZEJYVYPWFW-VHSXEESVSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571195139 952975638 /nfs/dbraw/zinc/97/56/38/952975638.db2.gz XYLXZEJYVYPWFW-VHSXEESVSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571195141 952975098 /nfs/dbraw/zinc/97/50/98/952975098.db2.gz XYLXZEJYVYPWFW-ZJUUUORDSA-N -1 1 382.388 -0.297 20 0 GBADMM C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571195141 952975092 /nfs/dbraw/zinc/97/50/92/952975092.db2.gz XYLXZEJYVYPWFW-ZJUUUORDSA-N -1 1 382.388 -0.297 20 0 GBADMM Cc1ncc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)c(C)n1 ZINC001571195146 952974615 /nfs/dbraw/zinc/97/46/15/952974615.db2.gz XZMIKIYGXJHXIB-OLZOCXBDSA-N -1 1 382.388 -0.957 20 0 GBADMM Cc1ncc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)c(C)n1 ZINC001571195146 952974613 /nfs/dbraw/zinc/97/46/13/952974613.db2.gz XZMIKIYGXJHXIB-OLZOCXBDSA-N -1 1 382.388 -0.957 20 0 GBADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571195149 952974765 /nfs/dbraw/zinc/97/47/65/952974765.db2.gz YBERNESWUXHUHX-NXEZZACHSA-N -1 1 382.388 -0.028 20 0 GBADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571195149 952974761 /nfs/dbraw/zinc/97/47/61/952974761.db2.gz YBERNESWUXHUHX-NXEZZACHSA-N -1 1 382.388 -0.028 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571195154 952975154 /nfs/dbraw/zinc/97/51/54/952975154.db2.gz YIYPCWDRGUOMBH-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571195154 952975152 /nfs/dbraw/zinc/97/51/52/952975152.db2.gz YIYPCWDRGUOMBH-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)nc1 ZINC001571195156 952974594 /nfs/dbraw/zinc/97/45/94/952974594.db2.gz YLMFVEJDTVTGGX-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)nc1 ZINC001571195156 952974590 /nfs/dbraw/zinc/97/45/90/952974590.db2.gz YLMFVEJDTVTGGX-JTQLQIEISA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)nc1 ZINC001571195157 952974750 /nfs/dbraw/zinc/97/47/50/952974750.db2.gz YLMFVEJDTVTGGX-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM COc1cnc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)nc1 ZINC001571195157 952974743 /nfs/dbraw/zinc/97/47/43/952974743.db2.gz YLMFVEJDTVTGGX-SNVBAGLBSA-N -1 1 382.388 -0.146 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571195163 952975118 /nfs/dbraw/zinc/97/51/18/952975118.db2.gz YNFIFLZPURNSGN-JTQLQIEISA-N -1 1 382.388 -0.188 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571195164 952974903 /nfs/dbraw/zinc/97/49/03/952974903.db2.gz YNFIFLZPURNSGN-SNVBAGLBSA-N -1 1 382.388 -0.188 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nn1 ZINC001571195176 952975357 /nfs/dbraw/zinc/97/53/57/952975357.db2.gz YUHASZJHUQKIPJ-MWLCHTKSSA-N -1 1 382.388 -0.290 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nn1 ZINC001571195176 952975351 /nfs/dbraw/zinc/97/53/51/952975351.db2.gz YUHASZJHUQKIPJ-MWLCHTKSSA-N -1 1 382.388 -0.290 20 0 GBADMM COc1cncc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571195177 952974577 /nfs/dbraw/zinc/97/45/77/952974577.db2.gz YUMMKNHJRLXIAZ-JTQLQIEISA-N -1 1 382.388 -0.194 20 0 GBADMM COc1cncc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571195178 952975305 /nfs/dbraw/zinc/97/53/05/952975305.db2.gz YUMMKNHJRLXIAZ-SNVBAGLBSA-N -1 1 382.388 -0.194 20 0 GBADMM Cn1nc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)ccc1=O ZINC001571195188 952975517 /nfs/dbraw/zinc/97/55/17/952975517.db2.gz YZXFOKYHPXEJLA-JTQLQIEISA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1nc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)ccc1=O ZINC001571195188 952975511 /nfs/dbraw/zinc/97/55/11/952975511.db2.gz YZXFOKYHPXEJLA-JTQLQIEISA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1nc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)ccc1=O ZINC001571195189 952975280 /nfs/dbraw/zinc/97/52/80/952975280.db2.gz YZXFOKYHPXEJLA-SNVBAGLBSA-N -1 1 382.388 -0.851 20 0 GBADMM Cn1nc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)ccc1=O ZINC001571195189 952975274 /nfs/dbraw/zinc/97/52/74/952975274.db2.gz YZXFOKYHPXEJLA-SNVBAGLBSA-N -1 1 382.388 -0.851 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001571195191 952975619 /nfs/dbraw/zinc/97/56/19/952975619.db2.gz ZDUPSOGAERKAEV-UHFFFAOYSA-N -1 1 382.388 -0.107 20 0 GBADMM O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cn[nH]c(=O)c1 ZINC001571195192 952975224 /nfs/dbraw/zinc/97/52/24/952975224.db2.gz ZDWADQGVUGFRAM-GXSJLCMTSA-N -1 1 382.388 -0.415 20 0 GBADMM O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cn[nH]c(=O)c1 ZINC001571195193 952975661 /nfs/dbraw/zinc/97/56/61/952975661.db2.gz ZDWADQGVUGFRAM-KOLCDFICSA-N -1 1 382.388 -0.415 20 0 GBADMM O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cn[nH]c(=O)c1 ZINC001571195194 952974803 /nfs/dbraw/zinc/97/48/03/952974803.db2.gz ZDWADQGVUGFRAM-MWLCHTKSSA-N -1 1 382.388 -0.415 20 0 GBADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cn[nH]c(=O)c1 ZINC001571195195 952974709 /nfs/dbraw/zinc/97/47/09/952974709.db2.gz ZDWADQGVUGFRAM-ONGXEEELSA-N -1 1 382.388 -0.415 20 0 GBADMM COc1cc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)ncn1 ZINC001571195198 952975481 /nfs/dbraw/zinc/97/54/81/952975481.db2.gz ZGDYQQVWCUQJHZ-UHFFFAOYSA-N -1 1 382.388 -0.192 20 0 GBADMM COc1cc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)ncn1 ZINC001571195198 952975477 /nfs/dbraw/zinc/97/54/77/952975477.db2.gz ZGDYQQVWCUQJHZ-UHFFFAOYSA-N -1 1 382.388 -0.192 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)n1 ZINC001571195201 952975574 /nfs/dbraw/zinc/97/55/74/952975574.db2.gz ZGLZLNLMKJJXOT-UHFFFAOYSA-N -1 1 382.388 -0.645 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)n1 ZINC001571195201 952975568 /nfs/dbraw/zinc/97/55/68/952975568.db2.gz ZGLZLNLMKJJXOT-UHFFFAOYSA-N -1 1 382.388 -0.645 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571195202 952974640 /nfs/dbraw/zinc/97/46/40/952974640.db2.gz ZGNHBQBIDXTSLR-JTQLQIEISA-N -1 1 382.388 -0.283 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571195203 952975233 /nfs/dbraw/zinc/97/52/33/952975233.db2.gz ZGNHBQBIDXTSLR-SNVBAGLBSA-N -1 1 382.388 -0.283 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cc2n(n1)CCCO2 ZINC001571195205 952975163 /nfs/dbraw/zinc/97/51/63/952975163.db2.gz ZHVYWXLVPJSENT-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cc2n(n1)CCCO2 ZINC001571195205 952975160 /nfs/dbraw/zinc/97/51/60/952975160.db2.gz ZHVYWXLVPJSENT-JTQLQIEISA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cc2n(n1)CCCO2 ZINC001571195206 952974974 /nfs/dbraw/zinc/97/49/74/952974974.db2.gz ZHVYWXLVPJSENT-SNVBAGLBSA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cc2n(n1)CCCO2 ZINC001571195206 952974969 /nfs/dbraw/zinc/97/49/69/952974969.db2.gz ZHVYWXLVPJSENT-SNVBAGLBSA-N -1 1 382.388 -0.356 20 0 GBADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571195208 952975245 /nfs/dbraw/zinc/97/52/45/952975245.db2.gz ZIYIFYDKMNGQDW-QFYYESIMSA-N -1 1 382.388 -0.184 20 0 GBADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571195211 952975578 /nfs/dbraw/zinc/97/55/78/952975578.db2.gz ZLLHZWKWMDQPBS-SNVBAGLBSA-N -1 1 382.388 -0.401 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571195214 952975443 /nfs/dbraw/zinc/97/54/43/952975443.db2.gz ZPRDRDPHDRERKQ-KKZNHRDASA-N -1 1 382.388 -0.066 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571195214 952975437 /nfs/dbraw/zinc/97/54/37/952975437.db2.gz ZPRDRDPHDRERKQ-KKZNHRDASA-N -1 1 382.388 -0.066 20 0 GBADMM O=C(NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)c1c[nH]c(=O)cn1 ZINC001571195219 952976414 /nfs/dbraw/zinc/97/64/14/952976414.db2.gz ZQYBHHOSXYDOFY-JTQLQIEISA-N -1 1 382.388 -0.471 20 0 GBADMM O=C(NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)c1c[nH]c(=O)cn1 ZINC001571195219 952976408 /nfs/dbraw/zinc/97/64/08/952976408.db2.gz ZQYBHHOSXYDOFY-JTQLQIEISA-N -1 1 382.388 -0.471 20 0 GBADMM O=C(NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)c1c[nH]c(=O)cn1 ZINC001571195220 952976550 /nfs/dbraw/zinc/97/65/50/952976550.db2.gz ZQYBHHOSXYDOFY-SNVBAGLBSA-N -1 1 382.388 -0.471 20 0 GBADMM O=C(NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)c1c[nH]c(=O)cn1 ZINC001571195220 952976545 /nfs/dbraw/zinc/97/65/45/952976545.db2.gz ZQYBHHOSXYDOFY-SNVBAGLBSA-N -1 1 382.388 -0.471 20 0 GBADMM CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571195222 952976396 /nfs/dbraw/zinc/97/63/96/952976396.db2.gz ZUAUPJUZQKEUOG-JTQLQIEISA-N -1 1 382.388 -0.899 20 0 GBADMM CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571195222 952976390 /nfs/dbraw/zinc/97/63/90/952976390.db2.gz ZUAUPJUZQKEUOG-JTQLQIEISA-N -1 1 382.388 -0.899 20 0 GBADMM CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571195223 952976253 /nfs/dbraw/zinc/97/62/53/952976253.db2.gz ZUAUPJUZQKEUOG-SNVBAGLBSA-N -1 1 382.388 -0.899 20 0 GBADMM CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571195223 952976247 /nfs/dbraw/zinc/97/62/47/952976247.db2.gz ZUAUPJUZQKEUOG-SNVBAGLBSA-N -1 1 382.388 -0.899 20 0 GBADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cc2n(n1)CCO2 ZINC001571195229 952976120 /nfs/dbraw/zinc/97/61/20/952976120.db2.gz ZXROGKJTNAVESC-MGCOHNPYSA-N -1 1 382.388 -0.712 20 0 GBADMM COc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)n1 ZINC001571195230 952976279 /nfs/dbraw/zinc/97/62/79/952976279.db2.gz ZXZVFTKHUXQGAV-BXKDBHETSA-N -1 1 382.388 -0.290 20 0 GBADMM COc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)n1 ZINC001571195230 952976275 /nfs/dbraw/zinc/97/62/75/952976275.db2.gz ZXZVFTKHUXQGAV-BXKDBHETSA-N -1 1 382.388 -0.290 20 0 GBADMM COC(=O)[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCOC1 ZINC001571195679 952978019 /nfs/dbraw/zinc/97/80/19/952978019.db2.gz DFEWIGOZMZZSOR-GXSJLCMTSA-N -1 1 382.402 -0.634 20 0 GBADMM COC(=O)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCOC1 ZINC001571195679 952978016 /nfs/dbraw/zinc/97/80/16/952978016.db2.gz DFEWIGOZMZZSOR-GXSJLCMTSA-N -1 1 382.402 -0.634 20 0 GBADMM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCOC1 ZINC001571195681 952977764 /nfs/dbraw/zinc/97/77/64/952977764.db2.gz DFEWIGOZMZZSOR-KOLCDFICSA-N -1 1 382.402 -0.634 20 0 GBADMM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCOC1 ZINC001571195681 952977759 /nfs/dbraw/zinc/97/77/59/952977759.db2.gz DFEWIGOZMZZSOR-KOLCDFICSA-N -1 1 382.402 -0.634 20 0 GBADMM COC(=O)[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCOC1 ZINC001571195682 952977634 /nfs/dbraw/zinc/97/76/34/952977634.db2.gz DFEWIGOZMZZSOR-MWLCHTKSSA-N -1 1 382.402 -0.634 20 0 GBADMM COC(=O)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCOC1 ZINC001571195682 952977630 /nfs/dbraw/zinc/97/76/30/952977630.db2.gz DFEWIGOZMZZSOR-MWLCHTKSSA-N -1 1 382.402 -0.634 20 0 GBADMM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCOC1 ZINC001571195684 952977917 /nfs/dbraw/zinc/97/79/17/952977917.db2.gz DFEWIGOZMZZSOR-ONGXEEELSA-N -1 1 382.402 -0.634 20 0 GBADMM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCOC1 ZINC001571195684 952977915 /nfs/dbraw/zinc/97/79/15/952977915.db2.gz DFEWIGOZMZZSOR-ONGXEEELSA-N -1 1 382.402 -0.634 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)CC2OCCO2)cc1-c1nn[n-]n1 ZINC001571196449 952981416 /nfs/dbraw/zinc/98/14/16/952981416.db2.gz KQTCJUYKJIXLHV-SSDOTTSWSA-N -1 1 382.402 -0.457 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CO)CC2OCCO2)cc1-c1nn[n-]n1 ZINC001571196451 952981516 /nfs/dbraw/zinc/98/15/16/952981516.db2.gz KQTCJUYKJIXLHV-ZETCQYMHSA-N -1 1 382.402 -0.457 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)n1 ZINC001571199268 952998471 /nfs/dbraw/zinc/99/84/71/952998471.db2.gz OUSSHFHAOXMHST-HQILRLMSSA-N -1 1 382.428 -0.200 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)n1 ZINC001571199268 952998466 /nfs/dbraw/zinc/99/84/66/952998466.db2.gz OUSSHFHAOXMHST-HQILRLMSSA-N -1 1 382.428 -0.200 20 0 GBADMM CCc1c(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571204637 953031414 /nfs/dbraw/zinc/03/14/14/953031414.db2.gz BXSZERTUIZLWNN-ZYHUDNBSSA-N -1 1 382.432 -0.053 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571204892 953033261 /nfs/dbraw/zinc/03/32/61/953033261.db2.gz FGJCEQGKFVANJZ-GFCCVEGCSA-N -1 1 382.432 -0.082 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571204892 953033259 /nfs/dbraw/zinc/03/32/59/953033259.db2.gz FGJCEQGKFVANJZ-GFCCVEGCSA-N -1 1 382.432 -0.082 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571204893 953033286 /nfs/dbraw/zinc/03/32/86/953033286.db2.gz FGJCEQGKFVANJZ-LBPRGKRZSA-N -1 1 382.432 -0.082 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571204893 953033283 /nfs/dbraw/zinc/03/32/83/953033283.db2.gz FGJCEQGKFVANJZ-LBPRGKRZSA-N -1 1 382.432 -0.082 20 0 GBADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571204961 953034764 /nfs/dbraw/zinc/03/47/64/953034764.db2.gz DZLISMGPMBQORO-VPLWTHEFSA-N -1 1 382.428 -0.095 20 0 GBADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571205340 953037547 /nfs/dbraw/zinc/03/75/47/953037547.db2.gz HFLDLOSKJWTIDC-JYKNGBAOSA-N -1 1 382.428 -0.166 20 0 GBADMM COCc1nnc2n1CCN(S(=O)(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001571205343 953036893 /nfs/dbraw/zinc/03/68/93/953036893.db2.gz HFWYDEPVWSWELO-UHFFFAOYSA-N -1 1 382.431 -0.129 20 0 GBADMM CCc1nn(C)cc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205440 953038209 /nfs/dbraw/zinc/03/82/09/953038209.db2.gz IVUFJJAHMSBJTA-XYPYZODXSA-N -1 1 382.432 -0.005 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)n1 ZINC001571205745 953041829 /nfs/dbraw/zinc/04/18/29/953041829.db2.gz AFWHUNCPCRXCCU-CYBMUJFWSA-N -1 1 382.432 -0.022 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)n1 ZINC001571205745 953041827 /nfs/dbraw/zinc/04/18/27/953041827.db2.gz AFWHUNCPCRXCCU-CYBMUJFWSA-N -1 1 382.432 -0.022 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)n1 ZINC001571205750 953040856 /nfs/dbraw/zinc/04/08/56/953040856.db2.gz AFWHUNCPCRXCCU-ZDUSSCGKSA-N -1 1 382.432 -0.022 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)n1 ZINC001571205750 953040849 /nfs/dbraw/zinc/04/08/49/953040849.db2.gz AFWHUNCPCRXCCU-ZDUSSCGKSA-N -1 1 382.432 -0.022 20 0 GBADMM CCn1cc(CC(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001571205791 953042364 /nfs/dbraw/zinc/04/23/64/953042364.db2.gz AVWLKXHLTPUOAG-UHFFFAOYSA-N -1 1 382.432 -0.059 20 0 GBADMM O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)[C@]12C[C@H]1COC2 ZINC001571205796 953042565 /nfs/dbraw/zinc/04/25/65/953042565.db2.gz MDVASKGPUIMPGF-OAUCMZCXSA-N -1 1 382.428 -0.046 20 0 GBADMM Cc1c(CCC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571205820 953042015 /nfs/dbraw/zinc/04/20/15/953042015.db2.gz BNHLGKRZNLMQSG-CYBMUJFWSA-N -1 1 382.432 -0.234 20 0 GBADMM Cc1c(CCC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571205821 953042789 /nfs/dbraw/zinc/04/27/89/953042789.db2.gz BNHLGKRZNLMQSG-ZDUSSCGKSA-N -1 1 382.432 -0.234 20 0 GBADMM CCn1cc(CC(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571205841 953043471 /nfs/dbraw/zinc/04/34/71/953043471.db2.gz BUTNWOVGHZWUEV-UHFFFAOYSA-N -1 1 382.432 -0.156 20 0 GBADMM C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206040 953046112 /nfs/dbraw/zinc/04/61/12/953046112.db2.gz RGRQNOHGSOMGOF-CHWSQXEVSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206041 953046192 /nfs/dbraw/zinc/04/61/92/953046192.db2.gz RGRQNOHGSOMGOF-OLZOCXBDSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@H]1CN(C(=O)CCn2cccn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206042 953045941 /nfs/dbraw/zinc/04/59/41/953045941.db2.gz RGRQNOHGSOMGOF-QWHCGFSZSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@H]1CN(C(=O)CCn2cccn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206043 953046376 /nfs/dbraw/zinc/04/63/76/953046376.db2.gz RGRQNOHGSOMGOF-STQMWFEESA-N -1 1 382.432 -0.128 20 0 GBADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571206195 953047899 /nfs/dbraw/zinc/04/78/99/953047899.db2.gz MWMANOSMNJZLCI-CRQFQMBKSA-N -1 1 382.428 -0.166 20 0 GBADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571206195 953047897 /nfs/dbraw/zinc/04/78/97/953047897.db2.gz MWMANOSMNJZLCI-CRQFQMBKSA-N -1 1 382.428 -0.166 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](NC(=O)Cc3cnn(C)c3)C2)n1 ZINC001571206396 953051064 /nfs/dbraw/zinc/05/10/64/953051064.db2.gz GFOKXYPVINONBX-QMTHXVAHSA-N -1 1 382.432 -0.118 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](NC(=O)Cc3cnn(C)c3)C2)n1 ZINC001571206396 953051061 /nfs/dbraw/zinc/05/10/61/953051061.db2.gz GFOKXYPVINONBX-QMTHXVAHSA-N -1 1 382.432 -0.118 20 0 GBADMM CCn1ccc(CC(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571206564 953053118 /nfs/dbraw/zinc/05/31/18/953053118.db2.gz IHBFJPWNDNWRFV-CYBMUJFWSA-N -1 1 382.432 -0.059 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)Cc3cncn3C)CC2)n1 ZINC001571206863 953055848 /nfs/dbraw/zinc/05/58/48/953055848.db2.gz LLEBCGVJTOCOND-UHFFFAOYSA-N -1 1 382.432 -0.020 20 0 GBADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571207190 953060211 /nfs/dbraw/zinc/06/02/11/953060211.db2.gz WUODTBKBTKKXRX-JWOJSXKRSA-N -1 1 382.428 -0.095 20 0 GBADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571207194 953060867 /nfs/dbraw/zinc/06/08/67/953060867.db2.gz WUODTBKBTKKXRX-VPLWTHEFSA-N -1 1 382.428 -0.095 20 0 GBADMM O=C([C@@H]1C[C@@]12CCOC2)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571207331 953062204 /nfs/dbraw/zinc/06/22/04/953062204.db2.gz XVPQWTUFVHZKLF-CVXDAYKESA-N -1 1 382.428 -0.022 20 0 GBADMM O=C([C@@H]1C[C@@]12CCOC2)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571207331 953062201 /nfs/dbraw/zinc/06/22/01/953062201.db2.gz XVPQWTUFVHZKLF-CVXDAYKESA-N -1 1 382.428 -0.022 20 0 GBADMM O=C([C@H]1C[C@@]12CCOC2)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571207332 953062238 /nfs/dbraw/zinc/06/22/38/953062238.db2.gz XVPQWTUFVHZKLF-SJBDTSRBSA-N -1 1 382.428 -0.022 20 0 GBADMM O=C([C@H]1C[C@@]12CCOC2)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571207332 953062234 /nfs/dbraw/zinc/06/22/34/953062234.db2.gz XVPQWTUFVHZKLF-SJBDTSRBSA-N -1 1 382.428 -0.022 20 0 GBADMM O=C([C@H]1C[C@]12CCOC2)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571207333 953061806 /nfs/dbraw/zinc/06/18/06/953061806.db2.gz XVPQWTUFVHZKLF-WLHTULFXSA-N -1 1 382.428 -0.022 20 0 GBADMM O=C([C@H]1C[C@]12CCOC2)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571207333 953061804 /nfs/dbraw/zinc/06/18/04/953061804.db2.gz XVPQWTUFVHZKLF-WLHTULFXSA-N -1 1 382.428 -0.022 20 0 GBADMM O=C([C@@H]1C[C@]12CCOC2)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571207334 953062180 /nfs/dbraw/zinc/06/21/80/953062180.db2.gz XVPQWTUFVHZKLF-YFQWEKLQSA-N -1 1 382.428 -0.022 20 0 GBADMM O=C([C@@H]1C[C@]12CCOC2)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571207334 953062177 /nfs/dbraw/zinc/06/21/77/953062177.db2.gz XVPQWTUFVHZKLF-YFQWEKLQSA-N -1 1 382.428 -0.022 20 0 GBADMM CCn1cc(CC(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571207500 953063823 /nfs/dbraw/zinc/06/38/23/953063823.db2.gz UWCSYZYAFFFOEE-ZDUSSCGKSA-N -1 1 382.432 -0.059 20 0 GBADMM Cc1c(CC(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207608 953065398 /nfs/dbraw/zinc/06/53/98/953065398.db2.gz XVZZKTJEPTXYBB-CYBMUJFWSA-N -1 1 382.432 -0.022 20 0 GBADMM Cc1c(CC(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571207608 953065395 /nfs/dbraw/zinc/06/53/95/953065395.db2.gz XVZZKTJEPTXYBB-CYBMUJFWSA-N -1 1 382.432 -0.022 20 0 GBADMM Cc1c(CC(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207609 953065456 /nfs/dbraw/zinc/06/54/56/953065456.db2.gz XVZZKTJEPTXYBB-ZDUSSCGKSA-N -1 1 382.432 -0.022 20 0 GBADMM Cc1c(CC(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571207609 953065454 /nfs/dbraw/zinc/06/54/54/953065454.db2.gz XVZZKTJEPTXYBB-ZDUSSCGKSA-N -1 1 382.432 -0.022 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571207656 953065553 /nfs/dbraw/zinc/06/55/53/953065553.db2.gz ZBZGTHIBRMMVQC-CHWSQXEVSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001571209899 953068705 /nfs/dbraw/zinc/06/87/05/953068705.db2.gz HZHUDGNAJVXTID-NXEZZACHSA-N -1 1 382.450 -0.309 20 0 GBADMM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001571209900 953068784 /nfs/dbraw/zinc/06/87/84/953068784.db2.gz HZHUDGNAJVXTID-UWVGGRQHSA-N -1 1 382.450 -0.309 20 0 GBADMM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001571209901 953068567 /nfs/dbraw/zinc/06/85/67/953068567.db2.gz HZHUDGNAJVXTID-VHSXEESVSA-N -1 1 382.450 -0.309 20 0 GBADMM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001571209902 953068819 /nfs/dbraw/zinc/06/88/19/953068819.db2.gz HZHUDGNAJVXTID-ZJUUUORDSA-N -1 1 382.450 -0.309 20 0 GBADMM CCS(=O)(=O)N1CCC(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001571210547 953072410 /nfs/dbraw/zinc/07/24/10/953072410.db2.gz RZUUUFQDZXCRTO-UHFFFAOYSA-N -1 1 382.450 -0.091 20 0 GBADMM CCS(=O)(=O)N1CCC(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001571210547 953072407 /nfs/dbraw/zinc/07/24/07/953072407.db2.gz RZUUUFQDZXCRTO-UHFFFAOYSA-N -1 1 382.450 -0.091 20 0 GBADMM Cc1nn(C)cc1CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211606 953078315 /nfs/dbraw/zinc/07/83/15/953078315.db2.gz CBUKEQXUWUBBCD-GFCCVEGCSA-N -1 1 382.432 -0.376 20 0 GBADMM Cc1nn(C)cc1CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211607 953078305 /nfs/dbraw/zinc/07/83/05/953078305.db2.gz CBUKEQXUWUBBCD-LBPRGKRZSA-N -1 1 382.432 -0.376 20 0 GBADMM Cc1cnn(CC(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571211669 953079891 /nfs/dbraw/zinc/07/98/91/953079891.db2.gz FEPQPAXFSBCMSU-CHWSQXEVSA-N -1 1 382.432 -0.019 20 0 GBADMM Cc1cnn(CC(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571211670 953079317 /nfs/dbraw/zinc/07/93/17/953079317.db2.gz FEPQPAXFSBCMSU-OLZOCXBDSA-N -1 1 382.432 -0.019 20 0 GBADMM Cc1cnn(CC(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571211671 953079556 /nfs/dbraw/zinc/07/95/56/953079556.db2.gz FEPQPAXFSBCMSU-QWHCGFSZSA-N -1 1 382.432 -0.019 20 0 GBADMM Cc1cnn(CC(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571211672 953079205 /nfs/dbraw/zinc/07/92/05/953079205.db2.gz FEPQPAXFSBCMSU-STQMWFEESA-N -1 1 382.432 -0.019 20 0 GBADMM Cn1cc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC2(C)C)cn1 ZINC001571211806 953081622 /nfs/dbraw/zinc/08/16/22/953081622.db2.gz FYUHKRLHSDSUNZ-GFCCVEGCSA-N -1 1 382.432 -0.036 20 0 GBADMM Cn1cc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC2(C)C)cn1 ZINC001571211806 953081620 /nfs/dbraw/zinc/08/16/20/953081620.db2.gz FYUHKRLHSDSUNZ-GFCCVEGCSA-N -1 1 382.432 -0.036 20 0 GBADMM Cn1cc(CC(=O)N[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC2(C)C)cn1 ZINC001571211807 953081040 /nfs/dbraw/zinc/08/10/40/953081040.db2.gz FYUHKRLHSDSUNZ-LBPRGKRZSA-N -1 1 382.432 -0.036 20 0 GBADMM Cn1cc(CC(=O)N[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC2(C)C)cn1 ZINC001571211807 953081034 /nfs/dbraw/zinc/08/10/34/953081034.db2.gz FYUHKRLHSDSUNZ-LBPRGKRZSA-N -1 1 382.432 -0.036 20 0 GBADMM Cc1nn(C)cc1C(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211856 953081605 /nfs/dbraw/zinc/08/16/05/953081605.db2.gz HODVWACHNXWTNP-CMPLNLGQSA-N -1 1 382.432 -0.059 20 0 GBADMM Cc1nn(C)cc1C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211857 953081451 /nfs/dbraw/zinc/08/14/51/953081451.db2.gz HODVWACHNXWTNP-JQWIXIFHSA-N -1 1 382.432 -0.059 20 0 GBADMM Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211858 953082034 /nfs/dbraw/zinc/08/20/34/953082034.db2.gz HODVWACHNXWTNP-PWSUYJOCSA-N -1 1 382.432 -0.059 20 0 GBADMM Cc1nn(C)cc1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571211859 953081670 /nfs/dbraw/zinc/08/16/70/953081670.db2.gz HODVWACHNXWTNP-ZYHUDNBSSA-N -1 1 382.432 -0.059 20 0 GBADMM Cc1nn(C)cc1CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571211922 953082511 /nfs/dbraw/zinc/08/25/11/953082511.db2.gz IQHIPYGJCDDJDQ-UHFFFAOYSA-N -1 1 382.432 -0.234 20 0 GBADMM Cc1cc(C)n(CC(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571212157 953084827 /nfs/dbraw/zinc/08/48/27/953084827.db2.gz KEGGLEBECACWIY-UHFFFAOYSA-N -1 1 382.432 -0.101 20 0 GBADMM Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571212178 953084806 /nfs/dbraw/zinc/08/48/06/953084806.db2.gz KNUUXXALEVPOSY-GFCCVEGCSA-N -1 1 382.432 -0.055 20 0 GBADMM Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571212178 953084802 /nfs/dbraw/zinc/08/48/02/953084802.db2.gz KNUUXXALEVPOSY-GFCCVEGCSA-N -1 1 382.432 -0.055 20 0 GBADMM Cn1cc(CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001571212189 953084952 /nfs/dbraw/zinc/08/49/52/953084952.db2.gz KSHUBFXCOZIYEE-CHWSQXEVSA-N -1 1 382.432 -0.106 20 0 GBADMM Cn1cncc1CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571212327 953086776 /nfs/dbraw/zinc/08/67/76/953086776.db2.gz LPWGMXYOBUOKET-CYBMUJFWSA-N -1 1 382.432 -0.036 20 0 GBADMM Cn1cncc1CC(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571212328 953087064 /nfs/dbraw/zinc/08/70/64/953087064.db2.gz LPWGMXYOBUOKET-ZDUSSCGKSA-N -1 1 382.432 -0.036 20 0 GBADMM Cc1cc(C)n(CC(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571212676 953089436 /nfs/dbraw/zinc/08/94/36/953089436.db2.gz OAZDVAGNRABDEK-CYBMUJFWSA-N -1 1 382.432 -0.147 20 0 GBADMM Cc1cc(C)n(CC(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571212679 953089202 /nfs/dbraw/zinc/08/92/02/953089202.db2.gz OAZDVAGNRABDEK-ZDUSSCGKSA-N -1 1 382.432 -0.147 20 0 GBADMM Cc1ncn(C)c1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571212687 953089849 /nfs/dbraw/zinc/08/98/49/953089849.db2.gz OGCCDFULXGNBIP-ZYHUDNBSSA-N -1 1 382.432 -0.059 20 0 GBADMM Cc1cnn(CC(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)c1 ZINC001571212795 953090707 /nfs/dbraw/zinc/09/07/07/953090707.db2.gz PDBIQEVONYAUEX-GFCCVEGCSA-N -1 1 382.432 -0.067 20 0 GBADMM Cc1cnn(CC(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)c1 ZINC001571212796 953090667 /nfs/dbraw/zinc/09/06/67/953090667.db2.gz PDBIQEVONYAUEX-LBPRGKRZSA-N -1 1 382.432 -0.067 20 0 GBADMM Cc1nn(C)cc1CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213411 953094550 /nfs/dbraw/zinc/09/45/50/953094550.db2.gz SDGSJSTWMVTRFX-CYBMUJFWSA-N -1 1 382.432 -0.234 20 0 GBADMM Cc1nn(C)cc1CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213412 953094692 /nfs/dbraw/zinc/09/46/92/953094692.db2.gz SGAKFDXOUGNKLV-AULYBMBSSA-N -1 1 382.432 -0.330 20 0 GBADMM Cc1nn(C)cc1CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571213482 953095970 /nfs/dbraw/zinc/09/59/70/953095970.db2.gz UXNBSJWNIWURDZ-CYBMUJFWSA-N -1 1 382.432 -0.234 20 0 GBADMM Cc1nn(C)cc1CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571213483 953095270 /nfs/dbraw/zinc/09/52/70/953095270.db2.gz UXNBSJWNIWURDZ-ZDUSSCGKSA-N -1 1 382.432 -0.234 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)c1ncccc1[O-] ZINC001571216643 953102343 /nfs/dbraw/zinc/10/23/43/953102343.db2.gz ALKPNUIIKXMTQY-BXKDBHETSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)c1ncccc1[O-] ZINC001571216644 953102907 /nfs/dbraw/zinc/10/29/07/953102907.db2.gz ALKPNUIIKXMTQY-CABZTGNLSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)c1ncccc1[O-] ZINC001571216645 953102921 /nfs/dbraw/zinc/10/29/21/953102921.db2.gz ALKPNUIIKXMTQY-JOYOIKCWSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)c1ncccc1[O-] ZINC001571216646 953102947 /nfs/dbraw/zinc/10/29/47/953102947.db2.gz ALKPNUIIKXMTQY-SKDRFNHKSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001571216654 953102654 /nfs/dbraw/zinc/10/26/54/953102654.db2.gz AQPNJARVDJFNFQ-GHMZBOCLSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001571216655 953102836 /nfs/dbraw/zinc/10/28/36/953102836.db2.gz AQPNJARVDJFNFQ-MNOVXSKESA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001571216656 953102668 /nfs/dbraw/zinc/10/26/68/953102668.db2.gz AQPNJARVDJFNFQ-QWRGUYRKSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001571216657 953102764 /nfs/dbraw/zinc/10/27/64/953102764.db2.gz AQPNJARVDJFNFQ-WDEREUQCSA-N -1 1 383.372 -0.873 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571216663 953103661 /nfs/dbraw/zinc/10/36/61/953103661.db2.gz AXMVFBASFIHILU-VXGBXAGGSA-N -1 1 383.372 -0.609 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571216663 953103659 /nfs/dbraw/zinc/10/36/59/953103659.db2.gz AXMVFBASFIHILU-VXGBXAGGSA-N -1 1 383.372 -0.609 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)Nc1ccc(N2CCNC2=O)cc1 ZINC001571216664 953103679 /nfs/dbraw/zinc/10/36/79/953103679.db2.gz AYIYTTDNHCCDNK-UHFFFAOYSA-N -1 1 383.376 -0.191 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001571216667 953103916 /nfs/dbraw/zinc/10/39/16/953103916.db2.gz BBAZUPPVQBONSQ-JTQLQIEISA-N -1 1 383.372 -0.301 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001571216667 953103911 /nfs/dbraw/zinc/10/39/11/953103911.db2.gz BBAZUPPVQBONSQ-JTQLQIEISA-N -1 1 383.372 -0.301 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001571216668 953103742 /nfs/dbraw/zinc/10/37/42/953103742.db2.gz BBAZUPPVQBONSQ-SNVBAGLBSA-N -1 1 383.372 -0.301 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001571216668 953103740 /nfs/dbraw/zinc/10/37/40/953103740.db2.gz BBAZUPPVQBONSQ-SNVBAGLBSA-N -1 1 383.372 -0.301 20 0 GBADMM NC(=O)Cc1occc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571216700 953103655 /nfs/dbraw/zinc/10/36/55/953103655.db2.gz CBHNTRXPZIGWSV-SECBINFHSA-N -1 1 383.372 -0.396 20 0 GBADMM NC(=O)Cc1occc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571216700 953103653 /nfs/dbraw/zinc/10/36/53/953103653.db2.gz CBHNTRXPZIGWSV-SECBINFHSA-N -1 1 383.372 -0.396 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)cn1 ZINC001571216701 953103638 /nfs/dbraw/zinc/10/36/38/953103638.db2.gz CDNLKZCBRVMBCV-NEPJUHHUSA-N -1 1 383.372 -0.960 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)cn1 ZINC001571216701 953103636 /nfs/dbraw/zinc/10/36/36/953103636.db2.gz CDNLKZCBRVMBCV-NEPJUHHUSA-N -1 1 383.372 -0.960 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)cn1 ZINC001571216702 953103863 /nfs/dbraw/zinc/10/38/63/953103863.db2.gz CDNLKZCBRVMBCV-VXGBXAGGSA-N -1 1 383.372 -0.960 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)cn1 ZINC001571216702 953103862 /nfs/dbraw/zinc/10/38/62/953103862.db2.gz CDNLKZCBRVMBCV-VXGBXAGGSA-N -1 1 383.372 -0.960 20 0 GBADMM COc1nc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)co1 ZINC001571216728 953103579 /nfs/dbraw/zinc/10/35/79/953103579.db2.gz CUEMTZRYGRDPFW-OWUUHHOZSA-N -1 1 383.372 -0.235 20 0 GBADMM COc1nc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)co1 ZINC001571216728 953103578 /nfs/dbraw/zinc/10/35/78/953103578.db2.gz CUEMTZRYGRDPFW-OWUUHHOZSA-N -1 1 383.372 -0.235 20 0 GBADMM COc1ccc2c(c1)CCN(C(=O)Cn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)C2 ZINC001571216842 953104629 /nfs/dbraw/zinc/10/46/29/953104629.db2.gz AUKHORKBYJQDPM-UHFFFAOYSA-N -1 1 383.368 -0.278 20 0 GBADMM COCc1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571216949 953105528 /nfs/dbraw/zinc/10/55/28/953105528.db2.gz DIUWVEMWBNCMSC-UWVGGRQHSA-N -1 1 383.372 -0.106 20 0 GBADMM COCc1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571216949 953105525 /nfs/dbraw/zinc/10/55/25/953105525.db2.gz DIUWVEMWBNCMSC-UWVGGRQHSA-N -1 1 383.372 -0.106 20 0 GBADMM C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571217045 953105773 /nfs/dbraw/zinc/10/57/73/953105773.db2.gz FOFOZJKRALLRFG-LDYMZIIASA-N -1 1 383.372 -0.079 20 0 GBADMM C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571217045 953105772 /nfs/dbraw/zinc/10/57/72/953105772.db2.gz FOFOZJKRALLRFG-LDYMZIIASA-N -1 1 383.372 -0.079 20 0 GBADMM NC(=O)c1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571217052 953105217 /nfs/dbraw/zinc/10/52/17/953105217.db2.gz FWPGXEYGWKVDHD-SECBINFHSA-N -1 1 383.372 -0.395 20 0 GBADMM NC(=O)c1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571217052 953105214 /nfs/dbraw/zinc/10/52/14/953105214.db2.gz FWPGXEYGWKVDHD-SECBINFHSA-N -1 1 383.372 -0.395 20 0 GBADMM NC(=O)c1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571217054 953105628 /nfs/dbraw/zinc/10/56/28/953105628.db2.gz FWPGXEYGWKVDHD-VIFPVBQESA-N -1 1 383.372 -0.395 20 0 GBADMM NC(=O)c1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571217054 953105626 /nfs/dbraw/zinc/10/56/26/953105626.db2.gz FWPGXEYGWKVDHD-VIFPVBQESA-N -1 1 383.372 -0.395 20 0 GBADMM COc1c[nH]c(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571217071 953105745 /nfs/dbraw/zinc/10/57/45/953105745.db2.gz FZTVVOUSDTYVQH-SECBINFHSA-N -1 1 383.372 -0.638 20 0 GBADMM COc1c[nH]c(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571217071 953105743 /nfs/dbraw/zinc/10/57/43/953105743.db2.gz FZTVVOUSDTYVQH-SECBINFHSA-N -1 1 383.372 -0.638 20 0 GBADMM Cn1c(=O)cc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)[nH]c1=O ZINC001571217105 953106513 /nfs/dbraw/zinc/10/65/13/953106513.db2.gz GTVJRTIVXXBNBA-JTQLQIEISA-N -1 1 383.372 -0.930 20 0 GBADMM Cn1c(=O)cc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)[nH]c1=O ZINC001571217105 953106510 /nfs/dbraw/zinc/10/65/10/953106510.db2.gz GTVJRTIVXXBNBA-JTQLQIEISA-N -1 1 383.372 -0.930 20 0 GBADMM Cn1c(=O)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)[nH]c1=O ZINC001571217106 953106394 /nfs/dbraw/zinc/10/63/94/953106394.db2.gz GTVJRTIVXXBNBA-SNVBAGLBSA-N -1 1 383.372 -0.930 20 0 GBADMM Cn1c(=O)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)[nH]c1=O ZINC001571217106 953106390 /nfs/dbraw/zinc/10/63/90/953106390.db2.gz GTVJRTIVXXBNBA-SNVBAGLBSA-N -1 1 383.372 -0.930 20 0 GBADMM C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571217113 953106384 /nfs/dbraw/zinc/10/63/84/953106384.db2.gz HBTZVROZIDPBOY-LDYMZIIASA-N -1 1 383.372 -0.079 20 0 GBADMM C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571217113 953106380 /nfs/dbraw/zinc/10/63/80/953106380.db2.gz HBTZVROZIDPBOY-LDYMZIIASA-N -1 1 383.372 -0.079 20 0 GBADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cnoc1C1CC1 ZINC001571217115 953106564 /nfs/dbraw/zinc/10/65/64/953106564.db2.gz HHJNGJOWEXXXMJ-VXGBXAGGSA-N -1 1 383.372 -0.498 20 0 GBADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cnoc1C1CC1 ZINC001571217115 953106562 /nfs/dbraw/zinc/10/65/62/953106562.db2.gz HHJNGJOWEXXXMJ-VXGBXAGGSA-N -1 1 383.372 -0.498 20 0 GBADMM O=C(c1cccc(=O)[nH]1)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571217123 953106109 /nfs/dbraw/zinc/10/61/09/953106109.db2.gz HPONIPVPQJZJMT-JTQLQIEISA-N -1 1 383.372 -0.868 20 0 GBADMM O=C(c1cccc(=O)[nH]1)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571217124 953106021 /nfs/dbraw/zinc/10/60/21/953106021.db2.gz HPONIPVPQJZJMT-SNVBAGLBSA-N -1 1 383.372 -0.868 20 0 GBADMM NC(=O)c1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571217303 953107454 /nfs/dbraw/zinc/10/74/54/953107454.db2.gz IALZICXPQXPAEL-JTQLQIEISA-N -1 1 383.372 -0.253 20 0 GBADMM NC(=O)c1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571217303 953107451 /nfs/dbraw/zinc/10/74/51/953107451.db2.gz IALZICXPQXPAEL-JTQLQIEISA-N -1 1 383.372 -0.253 20 0 GBADMM NC(=O)c1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571217304 953107248 /nfs/dbraw/zinc/10/72/48/953107248.db2.gz IALZICXPQXPAEL-SNVBAGLBSA-N -1 1 383.372 -0.253 20 0 GBADMM NC(=O)c1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571217304 953107245 /nfs/dbraw/zinc/10/72/45/953107245.db2.gz IALZICXPQXPAEL-SNVBAGLBSA-N -1 1 383.372 -0.253 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC1(c2ncccn2)CCC1 ZINC001571217339 953107541 /nfs/dbraw/zinc/10/75/41/953107541.db2.gz IIILJHLNZSTRML-UHFFFAOYSA-N -1 1 383.372 -0.495 20 0 GBADMM COc1cc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)on1 ZINC001571217352 953106930 /nfs/dbraw/zinc/10/69/30/953106930.db2.gz ILNUANHMHJLTRB-AOOOYVTPSA-N -1 1 383.372 -0.138 20 0 GBADMM COc1cc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)on1 ZINC001571217352 953106924 /nfs/dbraw/zinc/10/69/24/953106924.db2.gz ILNUANHMHJLTRB-AOOOYVTPSA-N -1 1 383.372 -0.138 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCc1ccc2c(c1)COC2 ZINC001571217358 953107168 /nfs/dbraw/zinc/10/71/68/953107168.db2.gz GEDLHEKLAIWHAZ-UHFFFAOYSA-N -1 1 383.368 -0.134 20 0 GBADMM NC(=O)c1ccc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571217371 953108418 /nfs/dbraw/zinc/10/84/18/953108418.db2.gz JINWHLFWOJWGGX-UHFFFAOYSA-N -1 1 383.372 -0.253 20 0 GBADMM NC(=O)c1ccc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571217371 953108416 /nfs/dbraw/zinc/10/84/16/953108416.db2.gz JINWHLFWOJWGGX-UHFFFAOYSA-N -1 1 383.372 -0.253 20 0 GBADMM COc1cc(=O)[nH]cc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571217376 953108370 /nfs/dbraw/zinc/10/83/70/953108370.db2.gz JTPAVMVWXFYUKI-VIFPVBQESA-N -1 1 383.372 -0.225 20 0 GBADMM COc1cc(=O)[nH]cc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571217376 953108368 /nfs/dbraw/zinc/10/83/68/953108368.db2.gz JTPAVMVWXFYUKI-VIFPVBQESA-N -1 1 383.372 -0.225 20 0 GBADMM COc1c[nH]c(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1=O ZINC001571217403 953107854 /nfs/dbraw/zinc/10/78/54/953107854.db2.gz KXXBAKHRXLOBTK-VIFPVBQESA-N -1 1 383.372 -0.638 20 0 GBADMM COc1c[nH]c(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1=O ZINC001571217403 953107851 /nfs/dbraw/zinc/10/78/51/953107851.db2.gz KXXBAKHRXLOBTK-VIFPVBQESA-N -1 1 383.372 -0.638 20 0 GBADMM O=C(c1cnco1)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571217480 953108284 /nfs/dbraw/zinc/10/82/84/953108284.db2.gz MAQWCPYQIOKDSM-INIZCTEOSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1cnco1)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571217480 953108282 /nfs/dbraw/zinc/10/82/82/953108282.db2.gz MAQWCPYQIOKDSM-INIZCTEOSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1cnco1)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571217482 953108016 /nfs/dbraw/zinc/10/80/16/953108016.db2.gz MAQWCPYQIOKDSM-MRXNPFEDSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1cnco1)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571217482 953108011 /nfs/dbraw/zinc/10/80/11/953108011.db2.gz MAQWCPYQIOKDSM-MRXNPFEDSA-N -1 1 383.372 -0.234 20 0 GBADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001571217487 953108504 /nfs/dbraw/zinc/10/85/04/953108504.db2.gz MGCMFNWOJOCILA-WDEREUQCSA-N -1 1 383.372 -0.273 20 0 GBADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001571217487 953108501 /nfs/dbraw/zinc/10/85/01/953108501.db2.gz MGCMFNWOJOCILA-WDEREUQCSA-N -1 1 383.372 -0.273 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571217504 953108967 /nfs/dbraw/zinc/10/89/67/953108967.db2.gz MQRKJCIJLLHKDF-VXGBXAGGSA-N -1 1 383.372 -0.609 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571217504 953108960 /nfs/dbraw/zinc/10/89/60/953108960.db2.gz MQRKJCIJLLHKDF-VXGBXAGGSA-N -1 1 383.372 -0.609 20 0 GBADMM COCC(=O)N1CCc2c1cccc2NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001571217521 953109527 /nfs/dbraw/zinc/10/95/27/953109527.db2.gz MZGXJOHLJXVEGN-UHFFFAOYSA-N -1 1 383.372 -0.368 20 0 GBADMM NC(=O)Cc1occc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571217566 953109064 /nfs/dbraw/zinc/10/90/64/953109064.db2.gz NQHHAQXMZPPNJW-VIFPVBQESA-N -1 1 383.372 -0.714 20 0 GBADMM NC(=O)Cc1occc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571217566 953109057 /nfs/dbraw/zinc/10/90/57/953109057.db2.gz NQHHAQXMZPPNJW-VIFPVBQESA-N -1 1 383.372 -0.714 20 0 GBADMM Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)c(=O)[nH]1 ZINC001571217609 953109482 /nfs/dbraw/zinc/10/94/82/953109482.db2.gz OSTKUVSKZDJPGS-VXGBXAGGSA-N -1 1 383.372 -0.955 20 0 GBADMM Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)c(=O)[nH]1 ZINC001571217609 953109480 /nfs/dbraw/zinc/10/94/80/953109480.db2.gz OSTKUVSKZDJPGS-VXGBXAGGSA-N -1 1 383.372 -0.955 20 0 GBADMM O=C(c1ccon1)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571217621 953109898 /nfs/dbraw/zinc/10/98/98/953109898.db2.gz PHZBFRUMYZKDHB-INIZCTEOSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1ccon1)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571217621 953109894 /nfs/dbraw/zinc/10/98/94/953109894.db2.gz PHZBFRUMYZKDHB-INIZCTEOSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1ccon1)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571217622 953109959 /nfs/dbraw/zinc/10/99/59/953109959.db2.gz PHZBFRUMYZKDHB-MRXNPFEDSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1ccon1)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571217622 953109956 /nfs/dbraw/zinc/10/99/56/953109956.db2.gz PHZBFRUMYZKDHB-MRXNPFEDSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001571217627 953109879 /nfs/dbraw/zinc/10/98/79/953109879.db2.gz GOEGQLCYUDDYSK-GXTWGEPZSA-N -1 1 383.368 -0.706 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1c2ccccc2C[C@H]1O ZINC001571217628 953110230 /nfs/dbraw/zinc/11/02/30/953110230.db2.gz GOEGQLCYUDDYSK-OCCSQVGLSA-N -1 1 383.368 -0.706 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc2c(c1)CCOC2 ZINC001571217662 953110256 /nfs/dbraw/zinc/11/02/56/953110256.db2.gz HJWBMUPKSOKDDV-UHFFFAOYSA-N -1 1 383.368 -0.368 20 0 GBADMM Cc1ccccc1C(=O)CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571217667 953110347 /nfs/dbraw/zinc/11/03/47/953110347.db2.gz HOTKBFXTYNKEBC-UHFFFAOYSA-N -1 1 383.368 -0.173 20 0 GBADMM CN(C)c1cccnc1C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571217678 953110274 /nfs/dbraw/zinc/11/02/74/953110274.db2.gz HUUSMGLLKGGTHY-UHFFFAOYSA-N -1 1 383.372 -0.713 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC001571217695 953110249 /nfs/dbraw/zinc/11/02/49/953110249.db2.gz IJVMZHLYUMHCDP-OQPBUACISA-N -1 1 383.315 -0.941 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H]1OCc2ccccc21 ZINC001571217701 953110982 /nfs/dbraw/zinc/11/09/82/953110982.db2.gz ITQPMRFRXLPHQT-CYBMUJFWSA-N -1 1 383.368 -0.093 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H]1OCc2ccccc21 ZINC001571217702 953111146 /nfs/dbraw/zinc/11/11/46/953111146.db2.gz ITQPMRFRXLPHQT-ZDUSSCGKSA-N -1 1 383.368 -0.093 20 0 GBADMM NC(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571217834 953111164 /nfs/dbraw/zinc/11/11/64/953111164.db2.gz PTTZWFIAEIAEDC-SNVBAGLBSA-N -1 1 383.372 -0.513 20 0 GBADMM Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)c(=O)[nH]1 ZINC001571217852 953110856 /nfs/dbraw/zinc/11/08/56/953110856.db2.gz QILSZWTZUBXEHR-MNOVXSKESA-N -1 1 383.372 -0.955 20 0 GBADMM Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)c(=O)[nH]1 ZINC001571217852 953110855 /nfs/dbraw/zinc/11/08/55/953110855.db2.gz QILSZWTZUBXEHR-MNOVXSKESA-N -1 1 383.372 -0.955 20 0 GBADMM COc1nc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)co1 ZINC001571217853 953110962 /nfs/dbraw/zinc/11/09/62/953110962.db2.gz QLGSZPSMYCVQFU-AOOOYVTPSA-N -1 1 383.372 -0.138 20 0 GBADMM COc1nc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)co1 ZINC001571217853 953110959 /nfs/dbraw/zinc/11/09/59/953110959.db2.gz QLGSZPSMYCVQFU-AOOOYVTPSA-N -1 1 383.372 -0.138 20 0 GBADMM NC(=O)c1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571217855 953110929 /nfs/dbraw/zinc/11/09/29/953110929.db2.gz QNLCSPOQQWRZOQ-JTQLQIEISA-N -1 1 383.372 -0.253 20 0 GBADMM NC(=O)c1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571217855 953110927 /nfs/dbraw/zinc/11/09/27/953110927.db2.gz QNLCSPOQQWRZOQ-JTQLQIEISA-N -1 1 383.372 -0.253 20 0 GBADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1cc(C2CC2)on1 ZINC001571217859 953111171 /nfs/dbraw/zinc/11/11/71/953111171.db2.gz QTTXPRQTXDXIFX-GHMZBOCLSA-N -1 1 383.372 -0.498 20 0 GBADMM COc1ncccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001571217874 953111045 /nfs/dbraw/zinc/11/10/45/953111045.db2.gz RECPKYQRFGTVIS-GHMZBOCLSA-N -1 1 383.372 -0.960 20 0 GBADMM COc1ncccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001571217874 953111043 /nfs/dbraw/zinc/11/10/43/953111043.db2.gz RECPKYQRFGTVIS-GHMZBOCLSA-N -1 1 383.372 -0.960 20 0 GBADMM COCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)no1 ZINC001571217902 953112139 /nfs/dbraw/zinc/11/21/39/953112139.db2.gz RUMVSBNRTXSYTN-MSRIBSCDSA-N -1 1 383.372 -0.344 20 0 GBADMM COCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)no1 ZINC001571217902 953112135 /nfs/dbraw/zinc/11/21/35/953112135.db2.gz RUMVSBNRTXSYTN-MSRIBSCDSA-N -1 1 383.372 -0.344 20 0 GBADMM NC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571217912 953112000 /nfs/dbraw/zinc/11/20/00/953112000.db2.gz SEVZPGOZZLGPIG-VIFPVBQESA-N -1 1 383.372 -0.513 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCc2ccc(O)cc2CC1 ZINC001571217975 953111641 /nfs/dbraw/zinc/11/16/41/953111641.db2.gz JTUIIQAXXRXANP-UHFFFAOYSA-N -1 1 383.368 -0.538 20 0 GBADMM C[C@@H](CC(=O)c1ccccc1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571217995 953111604 /nfs/dbraw/zinc/11/16/04/953111604.db2.gz KITGDYJLCLWLGR-JTQLQIEISA-N -1 1 383.368 -0.093 20 0 GBADMM C[C@H](CC(=O)c1ccccc1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571217998 953111892 /nfs/dbraw/zinc/11/18/92/953111892.db2.gz KITGDYJLCLWLGR-SNVBAGLBSA-N -1 1 383.368 -0.093 20 0 GBADMM CCOc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)on1 ZINC001571218058 953112640 /nfs/dbraw/zinc/11/26/40/953112640.db2.gz KXPBTSDFLOOFOB-WOFXILAISA-N -1 1 383.372 -0.092 20 0 GBADMM C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571218103 953113197 /nfs/dbraw/zinc/11/31/97/953113197.db2.gz LXEBBTYUSHMIIQ-PSASIEDQSA-N -1 1 383.372 -0.657 20 0 GBADMM C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571218104 953113082 /nfs/dbraw/zinc/11/30/82/953113082.db2.gz LXEBBTYUSHMIIQ-SCZZXKLOSA-N -1 1 383.372 -0.657 20 0 GBADMM C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571218105 953112657 /nfs/dbraw/zinc/11/26/57/953112657.db2.gz LXEBBTYUSHMIIQ-WCBMZHEXSA-N -1 1 383.372 -0.657 20 0 GBADMM C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571218106 953112960 /nfs/dbraw/zinc/11/29/60/953112960.db2.gz LXEBBTYUSHMIIQ-WPRPVWTQSA-N -1 1 383.372 -0.657 20 0 GBADMM O=C(c1cocn1)N1CC[C@@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001571218226 953112789 /nfs/dbraw/zinc/11/27/89/953112789.db2.gz SVBYYIGUMRGYDQ-INIZCTEOSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1cocn1)N1CC[C@@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001571218226 953112784 /nfs/dbraw/zinc/11/27/84/953112784.db2.gz SVBYYIGUMRGYDQ-INIZCTEOSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1cocn1)N1CC[C@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001571218227 953113295 /nfs/dbraw/zinc/11/32/95/953113295.db2.gz SVBYYIGUMRGYDQ-MRXNPFEDSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(c1cocn1)N1CC[C@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001571218227 953113293 /nfs/dbraw/zinc/11/32/93/953113293.db2.gz SVBYYIGUMRGYDQ-MRXNPFEDSA-N -1 1 383.372 -0.234 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1coc(C2CC2)n1 ZINC001571218261 953113747 /nfs/dbraw/zinc/11/37/47/953113747.db2.gz UONFHOWETCXQFQ-MWLCHTKSSA-N -1 1 383.372 -0.498 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1coc(C2CC2)n1 ZINC001571218261 953113742 /nfs/dbraw/zinc/11/37/42/953113742.db2.gz UONFHOWETCXQFQ-MWLCHTKSSA-N -1 1 383.372 -0.498 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571218294 953114255 /nfs/dbraw/zinc/11/42/55/953114255.db2.gz VKSIBJBFARIXFP-SECBINFHSA-N -1 1 383.372 -0.253 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571218294 953114250 /nfs/dbraw/zinc/11/42/50/953114250.db2.gz VKSIBJBFARIXFP-SECBINFHSA-N -1 1 383.372 -0.253 20 0 GBADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccc(C(N)=O)o1 ZINC001571218296 953113659 /nfs/dbraw/zinc/11/36/59/953113659.db2.gz VNAMNNHIMGMCJE-RKDXNWHRSA-N -1 1 383.372 -0.397 20 0 GBADMM O=C(NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccc(=O)[nH]1 ZINC001571218307 953113944 /nfs/dbraw/zinc/11/39/44/953113944.db2.gz VUFRHOGGHCVHMA-JTQLQIEISA-N -1 1 383.372 -0.608 20 0 GBADMM O=C(NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccc(=O)[nH]1 ZINC001571218307 953113940 /nfs/dbraw/zinc/11/39/40/953113940.db2.gz VUFRHOGGHCVHMA-JTQLQIEISA-N -1 1 383.372 -0.608 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccc(=O)[nH]1 ZINC001571218308 953113891 /nfs/dbraw/zinc/11/38/91/953113891.db2.gz VUFRHOGGHCVHMA-SNVBAGLBSA-N -1 1 383.372 -0.608 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccc(=O)[nH]1 ZINC001571218308 953113888 /nfs/dbraw/zinc/11/38/88/953113888.db2.gz VUFRHOGGHCVHMA-SNVBAGLBSA-N -1 1 383.372 -0.608 20 0 GBADMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571218438 953115395 /nfs/dbraw/zinc/11/53/95/953115395.db2.gz NSCRAPLPKHKKFC-RQJHMYQMSA-N -1 1 382.837 -0.253 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001571218442 953114986 /nfs/dbraw/zinc/11/49/86/953114986.db2.gz NYZLAXKRPGWKHG-CYBMUJFWSA-N -1 1 383.368 -0.271 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCO[C@H](c2ccccc2)C1 ZINC001571218443 953115360 /nfs/dbraw/zinc/11/53/60/953115360.db2.gz NYZLAXKRPGWKHG-ZDUSSCGKSA-N -1 1 383.368 -0.271 20 0 GBADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCn2c(nnc2C(F)F)C1 ZINC001571218480 953115847 /nfs/dbraw/zinc/11/58/47/953115847.db2.gz OZZMOPGRUWSKSM-UHFFFAOYSA-N -1 1 383.344 -0.005 20 0 GBADMM NC(=O)c1ccc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571218562 953117123 /nfs/dbraw/zinc/11/71/23/953117123.db2.gz WYKGSWMDBWBZDP-SECBINFHSA-N -1 1 383.372 -0.253 20 0 GBADMM NC(=O)c1ccc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571218565 953117165 /nfs/dbraw/zinc/11/71/65/953117165.db2.gz WYKGSWMDBWBZDP-VIFPVBQESA-N -1 1 383.372 -0.253 20 0 GBADMM Cn1nc2c(c1C(=O)N1CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C1)CCC2 ZINC001571218610 953117272 /nfs/dbraw/zinc/11/72/72/953117272.db2.gz XGFPGXCWYGYGSJ-UHFFFAOYSA-N -1 1 383.372 -0.952 20 0 GBADMM COc1c[nH]c(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571218642 953117888 /nfs/dbraw/zinc/11/78/88/953117888.db2.gz XPWBANJCBWXNRD-SECBINFHSA-N -1 1 383.372 -0.638 20 0 GBADMM COc1c[nH]c(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1=O ZINC001571218642 953117885 /nfs/dbraw/zinc/11/78/85/953117885.db2.gz XPWBANJCBWXNRD-SECBINFHSA-N -1 1 383.372 -0.638 20 0 GBADMM COc1c[nH]c(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571218643 953118163 /nfs/dbraw/zinc/11/81/63/953118163.db2.gz XPWBANJCBWXNRD-VIFPVBQESA-N -1 1 383.372 -0.638 20 0 GBADMM COc1c[nH]c(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1=O ZINC001571218643 953118158 /nfs/dbraw/zinc/11/81/58/953118158.db2.gz XPWBANJCBWXNRD-VIFPVBQESA-N -1 1 383.372 -0.638 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001571218667 953117872 /nfs/dbraw/zinc/11/78/72/953117872.db2.gz YCLDRPRYPUNJQS-CMPLNLGQSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001571218667 953117869 /nfs/dbraw/zinc/11/78/69/953117869.db2.gz YCLDRPRYPUNJQS-CMPLNLGQSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001571218668 953118122 /nfs/dbraw/zinc/11/81/22/953118122.db2.gz YCLDRPRYPUNJQS-JQWIXIFHSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001571218668 953118120 /nfs/dbraw/zinc/11/81/20/953118120.db2.gz YCLDRPRYPUNJQS-JQWIXIFHSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001571218669 953117999 /nfs/dbraw/zinc/11/79/99/953117999.db2.gz YCLDRPRYPUNJQS-PWSUYJOCSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001571218669 953117996 /nfs/dbraw/zinc/11/79/96/953117996.db2.gz YCLDRPRYPUNJQS-PWSUYJOCSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001571218670 953117980 /nfs/dbraw/zinc/11/79/80/953117980.db2.gz YCLDRPRYPUNJQS-ZYHUDNBSSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001571218670 953117976 /nfs/dbraw/zinc/11/79/76/953117976.db2.gz YCLDRPRYPUNJQS-ZYHUDNBSSA-N -1 1 383.372 -0.873 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1cnc(C2CC2)o1 ZINC001571218686 953118092 /nfs/dbraw/zinc/11/80/92/953118092.db2.gz YPFSACDKTLCGEA-MNOVXSKESA-N -1 1 383.372 -0.498 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1cnc(C2CC2)o1 ZINC001571218686 953118090 /nfs/dbraw/zinc/11/80/90/953118090.db2.gz YPFSACDKTLCGEA-MNOVXSKESA-N -1 1 383.372 -0.498 20 0 GBADMM O=C(CN1CCOCC1=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001571218687 953118236 /nfs/dbraw/zinc/11/82/36/953118236.db2.gz YQMLVCJIQCKNAD-UHFFFAOYSA-N -1 1 383.372 -0.696 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)cn1 ZINC001571218699 953117898 /nfs/dbraw/zinc/11/78/98/953117898.db2.gz ZANXWCGDYIVANR-NEPJUHHUSA-N -1 1 383.372 -0.960 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)cn1 ZINC001571218699 953117895 /nfs/dbraw/zinc/11/78/95/953117895.db2.gz ZANXWCGDYIVANR-NEPJUHHUSA-N -1 1 383.372 -0.960 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)cn1 ZINC001571218700 953118179 /nfs/dbraw/zinc/11/81/79/953118179.db2.gz ZANXWCGDYIVANR-VXGBXAGGSA-N -1 1 383.372 -0.960 20 0 GBADMM COc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)cn1 ZINC001571218700 953118177 /nfs/dbraw/zinc/11/81/77/953118177.db2.gz ZANXWCGDYIVANR-VXGBXAGGSA-N -1 1 383.372 -0.960 20 0 GBADMM Cc1ccc(CNC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)nc1 ZINC001571218701 953118286 /nfs/dbraw/zinc/11/82/86/953118286.db2.gz ZCSCYWNDBDFGBM-UHFFFAOYSA-N -1 1 383.372 -0.401 20 0 GBADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001571218702 953118170 /nfs/dbraw/zinc/11/81/70/953118170.db2.gz ZDLRLPZTZTYJAO-SECBINFHSA-N -1 1 383.372 -0.301 20 0 GBADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001571218702 953118168 /nfs/dbraw/zinc/11/81/68/953118168.db2.gz ZDLRLPZTZTYJAO-SECBINFHSA-N -1 1 383.372 -0.301 20 0 GBADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001571218703 953117970 /nfs/dbraw/zinc/11/79/70/953117970.db2.gz ZDLRLPZTZTYJAO-VIFPVBQESA-N -1 1 383.372 -0.301 20 0 GBADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001571218703 953117966 /nfs/dbraw/zinc/11/79/66/953117966.db2.gz ZDLRLPZTZTYJAO-VIFPVBQESA-N -1 1 383.372 -0.301 20 0 GBADMM COc1c[nH]c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571218705 953118257 /nfs/dbraw/zinc/11/82/57/953118257.db2.gz ZEVHMZBDEXPFCR-SECBINFHSA-N -1 1 383.372 -0.898 20 0 GBADMM COc1c[nH]c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1=O ZINC001571218706 953117986 /nfs/dbraw/zinc/11/79/86/953117986.db2.gz ZEVHMZBDEXPFCR-VIFPVBQESA-N -1 1 383.372 -0.898 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cnc(C2CC2)o1 ZINC001571218707 953117879 /nfs/dbraw/zinc/11/78/79/953117879.db2.gz ZGMTZSOJSDOJRG-MNOVXSKESA-N -1 1 383.372 -0.498 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1cnc(C2CC2)o1 ZINC001571218707 953117878 /nfs/dbraw/zinc/11/78/78/953117878.db2.gz ZGMTZSOJSDOJRG-MNOVXSKESA-N -1 1 383.372 -0.498 20 0 GBADMM O=C(NCCc1ccccn1)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571218718 953118197 /nfs/dbraw/zinc/11/81/97/953118197.db2.gz ZNPCMMIJCWCEBY-UHFFFAOYSA-N -1 1 383.372 -0.667 20 0 GBADMM C[C@@H]1CN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)Cc2cncnc21 ZINC001571218749 953118840 /nfs/dbraw/zinc/11/88/40/953118840.db2.gz PTPCEBNTGJYDGH-SECBINFHSA-N -1 1 383.372 -0.545 20 0 GBADMM C[C@H]1CN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)Cc2cncnc21 ZINC001571218750 953118745 /nfs/dbraw/zinc/11/87/45/953118745.db2.gz PTPCEBNTGJYDGH-VIFPVBQESA-N -1 1 383.372 -0.545 20 0 GBADMM COc1ccc(C2(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)CC2)cc1 ZINC001571218757 953118798 /nfs/dbraw/zinc/11/87/98/953118798.db2.gz QDJSYJRJWPDMTA-UHFFFAOYSA-N -1 1 383.368 -0.057 20 0 GBADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001571218786 953118684 /nfs/dbraw/zinc/11/86/84/953118684.db2.gz RFDQQXZNYUCZAC-BQBZGAKWSA-N -1 1 382.837 -0.050 20 0 GBADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001571218786 953118681 /nfs/dbraw/zinc/11/86/81/953118681.db2.gz RFDQQXZNYUCZAC-BQBZGAKWSA-N -1 1 382.837 -0.050 20 0 GBADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@H]1CCC(=O)N1 ZINC001571218787 953119168 /nfs/dbraw/zinc/11/91/68/953119168.db2.gz RFDQQXZNYUCZAC-NKWVEPMBSA-N -1 1 382.837 -0.050 20 0 GBADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)N1 ZINC001571218787 953119166 /nfs/dbraw/zinc/11/91/66/953119166.db2.gz RFDQQXZNYUCZAC-NKWVEPMBSA-N -1 1 382.837 -0.050 20 0 GBADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001571218788 953118725 /nfs/dbraw/zinc/11/87/25/953118725.db2.gz RFDQQXZNYUCZAC-RQJHMYQMSA-N -1 1 382.837 -0.050 20 0 GBADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001571218788 953118722 /nfs/dbraw/zinc/11/87/22/953118722.db2.gz RFDQQXZNYUCZAC-RQJHMYQMSA-N -1 1 382.837 -0.050 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001571218793 953118689 /nfs/dbraw/zinc/11/86/89/953118689.db2.gz RHDXZRGFQBENSZ-PSASIEDQSA-N -1 1 383.372 -0.514 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001571218794 953119086 /nfs/dbraw/zinc/11/90/86/953119086.db2.gz RHDXZRGFQBENSZ-SCZZXKLOSA-N -1 1 383.372 -0.514 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001571218795 953119056 /nfs/dbraw/zinc/11/90/56/953119056.db2.gz RHDXZRGFQBENSZ-WCBMZHEXSA-N -1 1 383.372 -0.514 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001571218796 953119212 /nfs/dbraw/zinc/11/92/12/953119212.db2.gz RHDXZRGFQBENSZ-WPRPVWTQSA-N -1 1 383.372 -0.514 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O)c1cnco1 ZINC001571218862 953120141 /nfs/dbraw/zinc/12/01/41/953120141.db2.gz RZYUDXDNDPDJNN-PHDIDXHHSA-N -1 1 382.793 -0.056 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NCc1ncc(C(F)(F)F)cn1 ZINC001571219069 953122117 /nfs/dbraw/zinc/12/21/17/953122117.db2.gz UKZRCKNYLMOFRS-UHFFFAOYSA-N -1 1 383.298 -0.234 20 0 GBADMM O=c1c(-c2nn[n-]n2)cn(CCO)c(=O)n1Cc1ncccc1C(F)(F)F ZINC001571219073 953122297 /nfs/dbraw/zinc/12/22/97/953122297.db2.gz UNNADDFWYIXRIF-UHFFFAOYSA-N -1 1 383.290 -0.356 20 0 GBADMM Cc1ccc2c(c1)CN(C(=O)Cn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)CCO2 ZINC001571219118 953122073 /nfs/dbraw/zinc/12/20/73/953122073.db2.gz VUPFBYYOFCSOBQ-UHFFFAOYSA-N -1 1 383.368 -0.141 20 0 GBADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571219193 953123253 /nfs/dbraw/zinc/12/32/53/953123253.db2.gz LRXNOUSBXIBYLG-NUPCCRGMSA-N -1 1 383.409 -0.574 20 0 GBADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571219194 953123477 /nfs/dbraw/zinc/12/34/77/953123477.db2.gz LRXNOUSBXIBYLG-RFXMVYNHSA-N -1 1 383.409 -0.574 20 0 GBADMM COC(=O)[C@@H](CO)NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571219305 953124832 /nfs/dbraw/zinc/12/48/32/953124832.db2.gz NQTJJGOOXJQDIP-MRVPVSSYSA-N -1 1 383.411 -0.106 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571219306 953125355 /nfs/dbraw/zinc/12/53/55/953125355.db2.gz WXXNMNTWJCWKCH-ZETCQYMHSA-N -1 1 382.837 -0.096 20 0 GBADMM COC(=O)[C@H](CO)NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571219308 953125137 /nfs/dbraw/zinc/12/51/37/953125137.db2.gz NQTJJGOOXJQDIP-QMMMGPOBSA-N -1 1 383.411 -0.106 20 0 GBADMM O=C(CNC(=O)c1coc(-c2nn[n-]n2)c1)NCC(=O)NCc1ccccc1 ZINC001571219317 953125043 /nfs/dbraw/zinc/12/50/43/953125043.db2.gz XGYHLYBJENRRTG-UHFFFAOYSA-N -1 1 383.368 -0.378 20 0 GBADMM O=C(CNC(=O)c1coc(-c2nnn[n-]2)c1)NCC(=O)NCc1ccccc1 ZINC001571219317 953125039 /nfs/dbraw/zinc/12/50/39/953125039.db2.gz XGYHLYBJENRRTG-UHFFFAOYSA-N -1 1 383.368 -0.378 20 0 GBADMM O=C(Cc1ccc2c(c1)CCO2)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571219577 953126677 /nfs/dbraw/zinc/12/66/77/953126677.db2.gz ZWFZKCRFWRFHLD-UHFFFAOYSA-N -1 1 383.368 -0.577 20 0 GBADMM CCO[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571222038 953130750 /nfs/dbraw/zinc/13/07/50/953130750.db2.gz AIOQJAVCGVGXRX-DGCLKSJQSA-N -1 1 383.416 -0.004 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)ccn1C ZINC001571222219 953132249 /nfs/dbraw/zinc/13/22/49/953132249.db2.gz ACBZTPIDRMRDPM-GFCCVEGCSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)ccn1C ZINC001571222219 953132248 /nfs/dbraw/zinc/13/22/48/953132248.db2.gz ACBZTPIDRMRDPM-GFCCVEGCSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1c(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)ccn1C ZINC001571222220 953132492 /nfs/dbraw/zinc/13/24/92/953132492.db2.gz ACBZTPIDRMRDPM-LBPRGKRZSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1c(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)ccn1C ZINC001571222220 953132489 /nfs/dbraw/zinc/13/24/89/953132489.db2.gz ACBZTPIDRMRDPM-LBPRGKRZSA-N -1 1 383.416 -0.061 20 0 GBADMM CCn1cccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571222235 953132055 /nfs/dbraw/zinc/13/20/55/953132055.db2.gz BAZLINRYYSQGJJ-BXUZGUMPSA-N -1 1 383.416 -0.152 20 0 GBADMM CCn1cccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571222235 953132053 /nfs/dbraw/zinc/13/20/53/953132053.db2.gz BAZLINRYYSQGJJ-BXUZGUMPSA-N -1 1 383.416 -0.152 20 0 GBADMM CCn1cccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571222236 953132622 /nfs/dbraw/zinc/13/26/22/953132622.db2.gz BAZLINRYYSQGJJ-FZMZJTMJSA-N -1 1 383.416 -0.152 20 0 GBADMM CCn1cccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571222236 953132619 /nfs/dbraw/zinc/13/26/19/953132619.db2.gz BAZLINRYYSQGJJ-FZMZJTMJSA-N -1 1 383.416 -0.152 20 0 GBADMM CCn1cccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571222237 953132590 /nfs/dbraw/zinc/13/25/90/953132590.db2.gz BAZLINRYYSQGJJ-RISCZKNCSA-N -1 1 383.416 -0.152 20 0 GBADMM CCn1cccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571222237 953132588 /nfs/dbraw/zinc/13/25/88/953132588.db2.gz BAZLINRYYSQGJJ-RISCZKNCSA-N -1 1 383.416 -0.152 20 0 GBADMM CCn1cccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571222238 953132045 /nfs/dbraw/zinc/13/20/45/953132045.db2.gz BAZLINRYYSQGJJ-SMDDNHRTSA-N -1 1 383.416 -0.152 20 0 GBADMM CCn1cccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571222238 953132044 /nfs/dbraw/zinc/13/20/44/953132044.db2.gz BAZLINRYYSQGJJ-SMDDNHRTSA-N -1 1 383.416 -0.152 20 0 GBADMM C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571222270 953132905 /nfs/dbraw/zinc/13/29/05/953132905.db2.gz BXOUSYGZKLLACP-AGKHESDQSA-N -1 1 383.416 -0.780 20 0 GBADMM CCn1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)c1C ZINC001571222274 953133403 /nfs/dbraw/zinc/13/34/03/953133403.db2.gz CJBZTTQRBWRCRI-KGLIPLIRSA-N -1 1 383.416 -0.234 20 0 GBADMM CCn1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)c1C ZINC001571222274 953133400 /nfs/dbraw/zinc/13/34/00/953133400.db2.gz CJBZTTQRBWRCRI-KGLIPLIRSA-N -1 1 383.416 -0.234 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 ZINC001571222358 953134294 /nfs/dbraw/zinc/13/42/94/953134294.db2.gz GVBJTSPURPGJBX-AAEUAGOBSA-N -1 1 383.416 -0.323 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 ZINC001571222360 953133939 /nfs/dbraw/zinc/13/39/39/953133939.db2.gz GVBJTSPURPGJBX-DGCLKSJQSA-N -1 1 383.416 -0.323 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 ZINC001571222362 953134344 /nfs/dbraw/zinc/13/43/44/953134344.db2.gz GVBJTSPURPGJBX-WCQYABFASA-N -1 1 383.416 -0.323 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 ZINC001571222364 953134300 /nfs/dbraw/zinc/13/43/00/953134300.db2.gz GVBJTSPURPGJBX-YPMHNXCESA-N -1 1 383.416 -0.323 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)n1 ZINC001571222365 953134085 /nfs/dbraw/zinc/13/40/85/953134085.db2.gz GWRUINFEWFXNTH-AAEUAGOBSA-N -1 1 383.416 -0.083 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)n1 ZINC001571222365 953134080 /nfs/dbraw/zinc/13/40/80/953134080.db2.gz GWRUINFEWFXNTH-AAEUAGOBSA-N -1 1 383.416 -0.083 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cc[nH]c3)[C@H](O)C2)n1 ZINC001571222366 953134252 /nfs/dbraw/zinc/13/42/52/953134252.db2.gz GWRUINFEWFXNTH-DGCLKSJQSA-N -1 1 383.416 -0.083 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cc[nH]c3)[C@H](O)C2)n1 ZINC001571222366 953134251 /nfs/dbraw/zinc/13/42/51/953134251.db2.gz GWRUINFEWFXNTH-DGCLKSJQSA-N -1 1 383.416 -0.083 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cc[nH]c3)[C@H](O)C2)n1 ZINC001571222367 953134309 /nfs/dbraw/zinc/13/43/09/953134309.db2.gz GWRUINFEWFXNTH-WCQYABFASA-N -1 1 383.416 -0.083 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cc[nH]c3)[C@H](O)C2)n1 ZINC001571222367 953134308 /nfs/dbraw/zinc/13/43/08/953134308.db2.gz GWRUINFEWFXNTH-WCQYABFASA-N -1 1 383.416 -0.083 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)n1 ZINC001571222368 953134181 /nfs/dbraw/zinc/13/41/81/953134181.db2.gz GWRUINFEWFXNTH-YPMHNXCESA-N -1 1 383.416 -0.083 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)n1 ZINC001571222368 953134179 /nfs/dbraw/zinc/13/41/79/953134179.db2.gz GWRUINFEWFXNTH-YPMHNXCESA-N -1 1 383.416 -0.083 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571222550 953136118 /nfs/dbraw/zinc/13/61/18/953136118.db2.gz IUPCNIKOKZLDSB-SGMGOOAPSA-N -1 1 383.416 -0.543 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571222550 953136114 /nfs/dbraw/zinc/13/61/14/953136114.db2.gz IUPCNIKOKZLDSB-SGMGOOAPSA-N -1 1 383.416 -0.543 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccc(C)n1C ZINC001571222590 953136979 /nfs/dbraw/zinc/13/69/79/953136979.db2.gz HQWOPDXZTDPLQZ-DGCLKSJQSA-N -1 1 383.416 -0.063 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571222606 953136802 /nfs/dbraw/zinc/13/68/02/953136802.db2.gz HUKFMKVAHUNUMA-GRYCIOLGSA-N -1 1 383.416 -0.828 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571222606 953136796 /nfs/dbraw/zinc/13/67/96/953136796.db2.gz HUKFMKVAHUNUMA-GRYCIOLGSA-N -1 1 383.416 -0.828 20 0 GBADMM CCn1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)c1C ZINC001571222711 953137626 /nfs/dbraw/zinc/13/76/26/953137626.db2.gz JSSZRKLEDUNEKH-KGLIPLIRSA-N -1 1 383.416 -0.234 20 0 GBADMM CCn1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)c1C ZINC001571222711 953137620 /nfs/dbraw/zinc/13/76/20/953137620.db2.gz JSSZRKLEDUNEKH-KGLIPLIRSA-N -1 1 383.416 -0.234 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1=O ZINC001571222714 953137764 /nfs/dbraw/zinc/13/77/64/953137764.db2.gz KAWPVVBBNGHCEO-KIGUWFBYSA-N -1 1 383.416 -0.924 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1=O ZINC001571222714 953137763 /nfs/dbraw/zinc/13/77/63/953137763.db2.gz KAWPVVBBNGHCEO-KIGUWFBYSA-N -1 1 383.416 -0.924 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1=O ZINC001571222715 953137663 /nfs/dbraw/zinc/13/76/63/953137663.db2.gz KAWPVVBBNGHCEO-OZWUEAAUSA-N -1 1 383.416 -0.924 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1=O ZINC001571222715 953137662 /nfs/dbraw/zinc/13/76/62/953137662.db2.gz KAWPVVBBNGHCEO-OZWUEAAUSA-N -1 1 383.416 -0.924 20 0 GBADMM 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CN1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)C1=O ZINC001571223874 953147888 /nfs/dbraw/zinc/14/78/88/953147888.db2.gz YVKSOCSXGPBPRH-WOPDTQHZSA-N -1 1 383.416 -0.685 20 0 GBADMM CN1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)C1=O ZINC001571223874 953147886 /nfs/dbraw/zinc/14/78/86/953147886.db2.gz YVKSOCSXGPBPRH-WOPDTQHZSA-N -1 1 383.416 -0.685 20 0 GBADMM CCn1cc(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571224045 953148868 /nfs/dbraw/zinc/14/88/68/953148868.db2.gz XNZGTMLAOMCZAH-UHFFFAOYSA-N -1 1 383.415 -0.311 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCNC(=O)C1 ZINC001571224067 953148405 /nfs/dbraw/zinc/14/84/05/953148405.db2.gz XTKZNWFWNHMHLL-IRLKHAEUSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCNC(=O)C1 ZINC001571224067 953148401 /nfs/dbraw/zinc/14/84/01/953148401.db2.gz XTKZNWFWNHMHLL-IRLKHAEUSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCNC(=O)C1 ZINC001571224069 953148871 /nfs/dbraw/zinc/14/88/71/953148871.db2.gz XTKZNWFWNHMHLL-ZEDKHECFSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCNC(=O)C1 ZINC001571224069 953148870 /nfs/dbraw/zinc/14/88/70/953148870.db2.gz XTKZNWFWNHMHLL-ZEDKHECFSA-N -1 1 383.416 -0.876 20 0 GBADMM Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2O)n1C ZINC001571224772 953151191 /nfs/dbraw/zinc/15/11/91/953151191.db2.gz FSXAVSRHGMPYBL-TZMCWYRMSA-N -1 1 383.416 -0.408 20 0 GBADMM Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2O)n1C ZINC001571224772 953151189 /nfs/dbraw/zinc/15/11/89/953151189.db2.gz FSXAVSRHGMPYBL-TZMCWYRMSA-N -1 1 383.416 -0.408 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)n1C ZINC001571224916 953151198 /nfs/dbraw/zinc/15/11/98/953151198.db2.gz GLYWTXQKOQVJTE-GFCCVEGCSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)n1C ZINC001571224916 953151196 /nfs/dbraw/zinc/15/11/96/953151196.db2.gz GLYWTXQKOQVJTE-GFCCVEGCSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)n1C ZINC001571224917 953151132 /nfs/dbraw/zinc/15/11/32/953151132.db2.gz GLYWTXQKOQVJTE-LBPRGKRZSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)n1C ZINC001571224917 953151128 /nfs/dbraw/zinc/15/11/28/953151128.db2.gz GLYWTXQKOQVJTE-LBPRGKRZSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001571224969 953151968 /nfs/dbraw/zinc/15/19/68/953151968.db2.gz HTMJNMRHZLSJKL-JCRCQARHSA-N -1 1 383.416 -0.863 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001571224969 953151965 /nfs/dbraw/zinc/15/19/65/953151965.db2.gz HTMJNMRHZLSJKL-JCRCQARHSA-N -1 1 383.416 -0.863 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(=O)N[C@H](C)C1 ZINC001571225166 953152116 /nfs/dbraw/zinc/15/21/16/953152116.db2.gz IFMAZSCCLVEKNU-SECBINFHSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(=O)N[C@H](C)C1 ZINC001571225166 953152114 /nfs/dbraw/zinc/15/21/14/953152114.db2.gz IFMAZSCCLVEKNU-SECBINFHSA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(=O)N[C@@H](C)C1 ZINC001571225169 953151954 /nfs/dbraw/zinc/15/19/54/953151954.db2.gz IFMAZSCCLVEKNU-VIFPVBQESA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(=O)N[C@@H](C)C1 ZINC001571225169 953151951 /nfs/dbraw/zinc/15/19/51/953151951.db2.gz IFMAZSCCLVEKNU-VIFPVBQESA-N -1 1 383.416 -0.194 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)c(C)n1C ZINC001571225319 953152770 /nfs/dbraw/zinc/15/27/70/953152770.db2.gz JMWAIEIJWNYDKM-KGLIPLIRSA-N -1 1 383.416 -0.408 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)c(C)n1C ZINC001571225319 953152767 /nfs/dbraw/zinc/15/27/67/953152767.db2.gz JMWAIEIJWNYDKM-KGLIPLIRSA-N -1 1 383.416 -0.408 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001571225358 953152731 /nfs/dbraw/zinc/15/27/31/953152731.db2.gz JXIWRFSNRNDPOK-LOVKBYSESA-N -1 1 383.416 -0.815 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001571225358 953152730 /nfs/dbraw/zinc/15/27/30/953152730.db2.gz JXIWRFSNRNDPOK-LOVKBYSESA-N -1 1 383.416 -0.815 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2CNC(=O)c2ccn(C)c2)n1 ZINC001571225616 953153839 /nfs/dbraw/zinc/15/38/39/953153839.db2.gz LQJBKGLNCSCNJC-CYBMUJFWSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@H]2CNC(=O)c2ccn(C)c2)n1 ZINC001571225616 953153838 /nfs/dbraw/zinc/15/38/38/953153838.db2.gz LQJBKGLNCSCNJC-CYBMUJFWSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2CNC(=O)c2ccn(C)c2)n1 ZINC001571225617 953153415 /nfs/dbraw/zinc/15/34/15/953153415.db2.gz LQJBKGLNCSCNJC-ZDUSSCGKSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2CNC(=O)c2ccn(C)c2)n1 ZINC001571225617 953153411 /nfs/dbraw/zinc/15/34/11/953153411.db2.gz LQJBKGLNCSCNJC-ZDUSSCGKSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)n1C ZINC001571226386 953155214 /nfs/dbraw/zinc/15/52/14/953155214.db2.gz PQYJVONFCWCKQO-GFCCVEGCSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1ccc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)n1C ZINC001571226387 953155364 /nfs/dbraw/zinc/15/53/64/953155364.db2.gz PQYJVONFCWCKQO-LBPRGKRZSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCNC1=O ZINC001571226622 953155869 /nfs/dbraw/zinc/15/58/69/953155869.db2.gz TWMJMNHVNIJCPF-ZDUSSCGKSA-N -1 1 383.416 -0.146 20 0 GBADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCNC1=O ZINC001571226622 953155866 /nfs/dbraw/zinc/15/58/66/953155866.db2.gz TWMJMNHVNIJCPF-ZDUSSCGKSA-N -1 1 383.416 -0.146 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](CNC(=O)c3cccn3C)C2)n1 ZINC001571226623 953155932 /nfs/dbraw/zinc/15/59/32/953155932.db2.gz TXXKHLKWGZHAPV-GFCCVEGCSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](CNC(=O)c3cccn3C)C2)n1 ZINC001571226623 953155930 /nfs/dbraw/zinc/15/59/30/953155930.db2.gz TXXKHLKWGZHAPV-GFCCVEGCSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](CNC(=O)c3cccn3C)C2)n1 ZINC001571226624 953156101 /nfs/dbraw/zinc/15/61/01/953156101.db2.gz TXXKHLKWGZHAPV-LBPRGKRZSA-N -1 1 383.416 -0.061 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](CNC(=O)c3cccn3C)C2)n1 ZINC001571226624 953156100 /nfs/dbraw/zinc/15/61/00/953156100.db2.gz TXXKHLKWGZHAPV-LBPRGKRZSA-N -1 1 383.416 -0.061 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001571227691 953159226 /nfs/dbraw/zinc/15/92/26/953159226.db2.gz ACIUCEBKNZPXQO-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001571227691 953159224 /nfs/dbraw/zinc/15/92/24/953159224.db2.gz ACIUCEBKNZPXQO-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001571227692 953159028 /nfs/dbraw/zinc/15/90/28/953159028.db2.gz ACIUCEBKNZPXQO-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001571227692 953159025 /nfs/dbraw/zinc/15/90/25/953159025.db2.gz ACIUCEBKNZPXQO-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001571227693 953159251 /nfs/dbraw/zinc/15/92/51/953159251.db2.gz ACIUCEBKNZPXQO-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001571227693 953159250 /nfs/dbraw/zinc/15/92/50/953159250.db2.gz ACIUCEBKNZPXQO-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001571227694 953159208 /nfs/dbraw/zinc/15/92/08/953159208.db2.gz ACIUCEBKNZPXQO-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001571227694 953159207 /nfs/dbraw/zinc/15/92/07/953159207.db2.gz ACIUCEBKNZPXQO-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM CCn1nc(C)c(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571227700 953159244 /nfs/dbraw/zinc/15/92/44/953159244.db2.gz AGVWUEJZBOHOQP-LLVKDONJSA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1nc(C)c(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571227701 953159299 /nfs/dbraw/zinc/15/92/99/953159299.db2.gz AGVWUEJZBOHOQP-NSHDSACASA-N -1 1 383.420 -0.025 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cncn1 ZINC001571227728 953158969 /nfs/dbraw/zinc/15/89/69/953158969.db2.gz ARQAPFNHVQMFRJ-CMPLNLGQSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cncn1 ZINC001571227728 953158966 /nfs/dbraw/zinc/15/89/66/953158966.db2.gz ARQAPFNHVQMFRJ-CMPLNLGQSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cncn1 ZINC001571227729 953158985 /nfs/dbraw/zinc/15/89/85/953158985.db2.gz ARQAPFNHVQMFRJ-JQWIXIFHSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cncn1 ZINC001571227729 953158981 /nfs/dbraw/zinc/15/89/81/953158981.db2.gz ARQAPFNHVQMFRJ-JQWIXIFHSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cncn1 ZINC001571227730 953159000 /nfs/dbraw/zinc/15/90/00/953159000.db2.gz ARQAPFNHVQMFRJ-PWSUYJOCSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cncn1 ZINC001571227730 953158995 /nfs/dbraw/zinc/15/89/95/953158995.db2.gz ARQAPFNHVQMFRJ-PWSUYJOCSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cncn1 ZINC001571227731 953159285 /nfs/dbraw/zinc/15/92/85/953159285.db2.gz ARQAPFNHVQMFRJ-ZYHUDNBSSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cncn1 ZINC001571227731 953159284 /nfs/dbraw/zinc/15/92/84/953159284.db2.gz ARQAPFNHVQMFRJ-ZYHUDNBSSA-N -1 1 383.420 -0.160 20 0 GBADMM O=C(CN1CCCC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571227735 953159145 /nfs/dbraw/zinc/15/91/45/953159145.db2.gz AXBUEAGLNMKGPF-MDZLAQPJSA-N -1 1 383.416 -0.495 20 0 GBADMM O=C(CN1CCCC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571227735 953159142 /nfs/dbraw/zinc/15/91/42/953159142.db2.gz AXBUEAGLNMKGPF-MDZLAQPJSA-N -1 1 383.416 -0.495 20 0 GBADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CCn2ccnn2)C1 ZINC001571227749 953158837 /nfs/dbraw/zinc/15/88/37/953158837.db2.gz BDVZGDLCWKRTAZ-INIZCTEOSA-N -1 1 383.420 -0.011 20 0 GBADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CCn2ccnn2)C1 ZINC001571227749 953158834 /nfs/dbraw/zinc/15/88/34/953158834.db2.gz BDVZGDLCWKRTAZ-INIZCTEOSA-N -1 1 383.420 -0.011 20 0 GBADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CCn2ccnn2)C1 ZINC001571227750 953158960 /nfs/dbraw/zinc/15/89/60/953158960.db2.gz BDVZGDLCWKRTAZ-MRXNPFEDSA-N -1 1 383.420 -0.011 20 0 GBADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CCn2ccnn2)C1 ZINC001571227750 953158958 /nfs/dbraw/zinc/15/89/58/953158958.db2.gz BDVZGDLCWKRTAZ-MRXNPFEDSA-N -1 1 383.420 -0.011 20 0 GBADMM CN(C[C@H]1CCCCN1C(=O)Cc1nnc[nH]1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571227752 953159273 /nfs/dbraw/zinc/15/92/73/953159273.db2.gz BFPIBKZQOKQXBS-LLVKDONJSA-N -1 1 383.420 -0.165 20 0 GBADMM CN(CC1CCN(C(=O)c2cnn(C)n2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571227754 953158775 /nfs/dbraw/zinc/15/87/75/953158775.db2.gz BHUPFOCWQORYCT-UHFFFAOYSA-N -1 1 383.420 -0.226 20 0 GBADMM CN(CC1CCN(C(=O)c2cnn(C)n2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571227754 953158773 /nfs/dbraw/zinc/15/87/73/953158773.db2.gz BHUPFOCWQORYCT-UHFFFAOYSA-N -1 1 383.420 -0.226 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571227755 953159120 /nfs/dbraw/zinc/15/91/20/953159120.db2.gz BHXRQUKCHLKEFR-GHMZBOCLSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571227756 953159321 /nfs/dbraw/zinc/15/93/21/953159321.db2.gz BHXRQUKCHLKEFR-MNOVXSKESA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571227757 953158942 /nfs/dbraw/zinc/15/89/42/953158942.db2.gz BHXRQUKCHLKEFR-QWRGUYRKSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571227758 953159293 /nfs/dbraw/zinc/15/92/93/953159293.db2.gz BHXRQUKCHLKEFR-WDEREUQCSA-N -1 1 383.420 -0.583 20 0 GBADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)[C@@H]1CCC(=O)NC1 ZINC001571227761 953158826 /nfs/dbraw/zinc/15/88/26/953158826.db2.gz BNLMJUFPLDCONN-KKOKHZNYSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)[C@@H]1CCC(=O)NC1 ZINC001571227761 953158823 /nfs/dbraw/zinc/15/88/23/953158823.db2.gz BNLMJUFPLDCONN-KKOKHZNYSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)[C@H]1CCC(=O)NC1 ZINC001571227762 953158789 /nfs/dbraw/zinc/15/87/89/953158789.db2.gz BNLMJUFPLDCONN-QCNOEVLYSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)[C@H]1CCC(=O)NC1 ZINC001571227762 953158786 /nfs/dbraw/zinc/15/87/86/953158786.db2.gz BNLMJUFPLDCONN-QCNOEVLYSA-N -1 1 383.416 -0.591 20 0 GBADMM CCc1nc(N[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571227770 953159157 /nfs/dbraw/zinc/15/91/57/953159157.db2.gz BQAUJVAFZQIMSM-BXKDBHETSA-N -1 1 383.420 -0.080 20 0 GBADMM CCc1nc(N[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571227770 953159155 /nfs/dbraw/zinc/15/91/55/953159155.db2.gz BQAUJVAFZQIMSM-BXKDBHETSA-N -1 1 383.420 -0.080 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571227774 953160229 /nfs/dbraw/zinc/16/02/29/953160229.db2.gz BSBWFSVOSTUZGF-SDDRHHMPSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571227774 953160226 /nfs/dbraw/zinc/16/02/26/953160226.db2.gz BSBWFSVOSTUZGF-SDDRHHMPSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C([C@@H]1CCC(=O)NC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571227775 953159938 /nfs/dbraw/zinc/15/99/38/953159938.db2.gz BSBWFSVOSTUZGF-UTUOFQBUSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C([C@@H]1CCC(=O)NC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571227775 953159935 /nfs/dbraw/zinc/15/99/35/953159935.db2.gz BSBWFSVOSTUZGF-UTUOFQBUSA-N -1 1 383.416 -0.638 20 0 GBADMM CCn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)n1 ZINC001571227789 953159907 /nfs/dbraw/zinc/15/99/07/953159907.db2.gz CBCPKLCILAIFSJ-GFCCVEGCSA-N -1 1 383.420 -0.087 20 0 GBADMM CCn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)n1 ZINC001571227789 953159906 /nfs/dbraw/zinc/15/99/06/953159906.db2.gz CBCPKLCILAIFSJ-GFCCVEGCSA-N -1 1 383.420 -0.087 20 0 GBADMM CCn1ncc(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)n1 ZINC001571227790 953159690 /nfs/dbraw/zinc/15/96/90/953159690.db2.gz CBCPKLCILAIFSJ-LBPRGKRZSA-N -1 1 383.420 -0.087 20 0 GBADMM CCn1ncc(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)n1 ZINC001571227790 953159689 /nfs/dbraw/zinc/15/96/89/953159689.db2.gz CBCPKLCILAIFSJ-LBPRGKRZSA-N -1 1 383.420 -0.087 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)CCn1cncn1)c1cncc(-c2nn[n-]n2)n1 ZINC001571227817 953160111 /nfs/dbraw/zinc/16/01/11/953160111.db2.gz CNLHWWQXGBLWRX-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)CCn1cncn1)c1cncc(-c2nnn[n-]2)n1 ZINC001571227817 953160107 /nfs/dbraw/zinc/16/01/07/953160107.db2.gz CNLHWWQXGBLWRX-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)CCn1cncn1)c1cncc(-c2nn[n-]n2)n1 ZINC001571227818 953159618 /nfs/dbraw/zinc/15/96/18/953159618.db2.gz CNLHWWQXGBLWRX-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)CCn1cncn1)c1cncc(-c2nnn[n-]2)n1 ZINC001571227818 953159615 /nfs/dbraw/zinc/15/96/15/953159615.db2.gz CNLHWWQXGBLWRX-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001571227820 953160070 /nfs/dbraw/zinc/16/00/70/953160070.db2.gz COTGWEOJURPRPA-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001571227820 953160069 /nfs/dbraw/zinc/16/00/69/953160069.db2.gz COTGWEOJURPRPA-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001571227821 953159995 /nfs/dbraw/zinc/15/99/95/953159995.db2.gz COTGWEOJURPRPA-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001571227821 953159993 /nfs/dbraw/zinc/15/99/93/953159993.db2.gz COTGWEOJURPRPA-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001571227822 953159705 /nfs/dbraw/zinc/15/97/05/953159705.db2.gz COTGWEOJURPRPA-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001571227822 953159703 /nfs/dbraw/zinc/15/97/03/953159703.db2.gz COTGWEOJURPRPA-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001571227823 953159899 /nfs/dbraw/zinc/15/98/99/953159899.db2.gz COTGWEOJURPRPA-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001571227823 953159898 /nfs/dbraw/zinc/15/98/98/953159898.db2.gz COTGWEOJURPRPA-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM CCn1nc(C)c(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571227825 953160008 /nfs/dbraw/zinc/16/00/08/953160008.db2.gz CPOGEWHKKOPTQT-UHFFFAOYSA-N -1 1 383.420 -0.286 20 0 GBADMM O=C([C@H]1CCC(=O)N1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571227827 953159923 /nfs/dbraw/zinc/15/99/23/953159923.db2.gz CQAHALCTKVZJGW-GRYCIOLGSA-N -1 1 383.416 -0.495 20 0 GBADMM O=C([C@H]1CCC(=O)N1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571227827 953159922 /nfs/dbraw/zinc/15/99/22/953159922.db2.gz CQAHALCTKVZJGW-GRYCIOLGSA-N -1 1 383.416 -0.495 20 0 GBADMM CCn1ncc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)n1 ZINC001571227830 953159974 /nfs/dbraw/zinc/15/99/74/953159974.db2.gz CQFZWDPEFPGQCX-LLVKDONJSA-N -1 1 383.420 -0.347 20 0 GBADMM CCn1ncc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)n1 ZINC001571227831 953159884 /nfs/dbraw/zinc/15/98/84/953159884.db2.gz CQFZWDPEFPGQCX-NSHDSACASA-N -1 1 383.420 -0.347 20 0 GBADMM O=C(C[C@H]1CCCC(=O)N1)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571227834 953159915 /nfs/dbraw/zinc/15/99/15/953159915.db2.gz CRSLVUBZRNECCK-UDKBDQPSSA-N -1 1 383.416 -0.734 20 0 GBADMM O=C(C[C@H]1CCCC(=O)N1)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571227834 953159913 /nfs/dbraw/zinc/15/99/13/953159913.db2.gz CRSLVUBZRNECCK-UDKBDQPSSA-N -1 1 383.416 -0.734 20 0 GBADMM O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571227835 953160175 /nfs/dbraw/zinc/16/01/75/953160175.db2.gz CRSLVUBZRNECCK-ZSYFIWHWSA-N -1 1 383.416 -0.734 20 0 GBADMM O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571227835 953160173 /nfs/dbraw/zinc/16/01/73/953160173.db2.gz CRSLVUBZRNECCK-ZSYFIWHWSA-N -1 1 383.416 -0.734 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571227839 953159969 /nfs/dbraw/zinc/15/99/69/953159969.db2.gz CSMXZWQISTUNPT-DCQANWLSSA-N -1 1 383.416 -0.449 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571227839 953159968 /nfs/dbraw/zinc/15/99/68/953159968.db2.gz CSMXZWQISTUNPT-DCQANWLSSA-N -1 1 383.416 -0.449 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571227840 953159944 /nfs/dbraw/zinc/15/99/44/953159944.db2.gz CSMXZWQISTUNPT-NOHGZBONSA-N -1 1 383.416 -0.449 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571227840 953159942 /nfs/dbraw/zinc/15/99/42/953159942.db2.gz CSMXZWQISTUNPT-NOHGZBONSA-N -1 1 383.416 -0.449 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001571227854 953160593 /nfs/dbraw/zinc/16/05/93/953160593.db2.gz DFKCKPJQOCEXBS-LLVKDONJSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001571227854 953160592 /nfs/dbraw/zinc/16/05/92/953160592.db2.gz DFKCKPJQOCEXBS-LLVKDONJSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001571227855 953161025 /nfs/dbraw/zinc/16/10/25/953161025.db2.gz DFKCKPJQOCEXBS-NSHDSACASA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001571227855 953161024 /nfs/dbraw/zinc/16/10/24/953161024.db2.gz DFKCKPJQOCEXBS-NSHDSACASA-N -1 1 383.420 -0.013 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)CCn1ccnn1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571227872 953160851 /nfs/dbraw/zinc/16/08/51/953160851.db2.gz DSDFIFGWPVDFNH-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)CCn1ccnn1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571227872 953160850 /nfs/dbraw/zinc/16/08/50/953160850.db2.gz DSDFIFGWPVDFNH-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)CCn1ccnn1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571227873 953160544 /nfs/dbraw/zinc/16/05/44/953160544.db2.gz DSDFIFGWPVDFNH-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)CCn1ccnn1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571227873 953160541 /nfs/dbraw/zinc/16/05/41/953160541.db2.gz DSDFIFGWPVDFNH-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(C[C@H]1CCCCN1C(=O)c1ncn(C)n1)c1nccnc1-c1nn[n-]n1 ZINC001571227874 953160713 /nfs/dbraw/zinc/16/07/13/953160713.db2.gz DUALJEMNGRKALT-LLVKDONJSA-N -1 1 383.420 -0.084 20 0 GBADMM CN(C[C@H]1CCCCN1C(=O)c1ncn(C)n1)c1nccnc1-c1nnn[n-]1 ZINC001571227874 953160710 /nfs/dbraw/zinc/16/07/10/953160710.db2.gz DUALJEMNGRKALT-LLVKDONJSA-N -1 1 383.420 -0.084 20 0 GBADMM CN(CC1CCN(C(=O)c2cnnn2C)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571227878 953160560 /nfs/dbraw/zinc/16/05/60/953160560.db2.gz DYXNVNVFJRDDCS-UHFFFAOYSA-N -1 1 383.420 -0.226 20 0 GBADMM CN(C[C@H]1CCCCN1C(=O)Cn1cncn1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571227883 953160866 /nfs/dbraw/zinc/16/08/66/953160866.db2.gz FDUMEPBKRILDME-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM CCn1ncc(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571227965 953161097 /nfs/dbraw/zinc/16/10/97/953161097.db2.gz FJQOSUSAKXNGDD-UHFFFAOYSA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1ncc(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571227965 953161093 /nfs/dbraw/zinc/16/10/93/953161093.db2.gz FJQOSUSAKXNGDD-UHFFFAOYSA-N -1 1 383.420 -0.086 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001571227978 953160612 /nfs/dbraw/zinc/16/06/12/953160612.db2.gz FNERWEHFJORVKW-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001571227978 953160609 /nfs/dbraw/zinc/16/06/09/953160609.db2.gz FNERWEHFJORVKW-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)CCc1cnn(C)n1 ZINC001571227990 953160584 /nfs/dbraw/zinc/16/05/84/953160584.db2.gz GCOCREVDLNDNPK-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)CCc1cnn(C)n1 ZINC001571227990 953160581 /nfs/dbraw/zinc/16/05/81/953160581.db2.gz GCOCREVDLNDNPK-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)CCc1cnn(C)n1 ZINC001571227992 953160722 /nfs/dbraw/zinc/16/07/22/953160722.db2.gz GCOCREVDLNDNPK-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)CCc1cnn(C)n1 ZINC001571227992 953160720 /nfs/dbraw/zinc/16/07/20/953160720.db2.gz GCOCREVDLNDNPK-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)CCc1cnn(C)n1 ZINC001571227994 953161005 /nfs/dbraw/zinc/16/10/05/953161005.db2.gz GCOCREVDLNDNPK-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)CCc1cnn(C)n1 ZINC001571227994 953161003 /nfs/dbraw/zinc/16/10/03/953161003.db2.gz GCOCREVDLNDNPK-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)CCc1cnn(C)n1 ZINC001571227996 953161019 /nfs/dbraw/zinc/16/10/19/953161019.db2.gz GCOCREVDLNDNPK-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)CCc1cnn(C)n1 ZINC001571227996 953161018 /nfs/dbraw/zinc/16/10/18/953161018.db2.gz GCOCREVDLNDNPK-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571227998 953160462 /nfs/dbraw/zinc/16/04/62/953160462.db2.gz GEDYWIDENAYNOE-DMDPSCGWSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571227998 953160460 /nfs/dbraw/zinc/16/04/60/953160460.db2.gz GEDYWIDENAYNOE-DMDPSCGWSA-N -1 1 383.416 -0.638 20 0 GBADMM CCn1nncc1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571228013 953160964 /nfs/dbraw/zinc/16/09/64/953160964.db2.gz GMDUGIXGRQVGRP-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM CCn1nncc1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571228013 953160962 /nfs/dbraw/zinc/16/09/62/953160962.db2.gz GMDUGIXGRQVGRP-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001571228016 953160621 /nfs/dbraw/zinc/16/06/21/953160621.db2.gz GOVLAGACUGTQAK-NXEZZACHSA-N -1 1 383.420 -0.643 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001571228018 953160995 /nfs/dbraw/zinc/16/09/95/953160995.db2.gz GOVLAGACUGTQAK-UWVGGRQHSA-N -1 1 383.420 -0.643 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001571228020 953161075 /nfs/dbraw/zinc/16/10/75/953161075.db2.gz GOVLAGACUGTQAK-VHSXEESVSA-N -1 1 383.420 -0.643 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001571228022 953160976 /nfs/dbraw/zinc/16/09/76/953160976.db2.gz GOVLAGACUGTQAK-ZJUUUORDSA-N -1 1 383.420 -0.643 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571228037 953161528 /nfs/dbraw/zinc/16/15/28/953161528.db2.gz GTLHQOIJVIENBE-GRYCIOLGSA-N -1 1 383.416 -0.780 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571228037 953161525 /nfs/dbraw/zinc/16/15/25/953161525.db2.gz GTLHQOIJVIENBE-GRYCIOLGSA-N -1 1 383.416 -0.780 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571228038 953161548 /nfs/dbraw/zinc/16/15/48/953161548.db2.gz GTLHQOIJVIENBE-TUAOUCFPSA-N -1 1 383.416 -0.780 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571228038 953161545 /nfs/dbraw/zinc/16/15/45/953161545.db2.gz GTLHQOIJVIENBE-TUAOUCFPSA-N -1 1 383.416 -0.780 20 0 GBADMM CCn1nc(C)c(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571228049 953161351 /nfs/dbraw/zinc/16/13/51/953161351.db2.gz GXODCPSEGYRNPT-UHFFFAOYSA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1nc(C)c(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571228049 953161348 /nfs/dbraw/zinc/16/13/48/953161348.db2.gz GXODCPSEGYRNPT-UHFFFAOYSA-N -1 1 383.420 -0.025 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001571228052 953161801 /nfs/dbraw/zinc/16/18/01/953161801.db2.gz GYLOBLZOSXZCJA-JTQLQIEISA-N -1 1 383.420 -0.064 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001571228053 953161934 /nfs/dbraw/zinc/16/19/34/953161934.db2.gz GYLOBLZOSXZCJA-SNVBAGLBSA-N -1 1 383.420 -0.064 20 0 GBADMM CCn1cc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)nn1 ZINC001571228055 953161606 /nfs/dbraw/zinc/16/16/06/953161606.db2.gz HAHASTVLMGQCAJ-GHMZBOCLSA-N -1 1 383.420 -0.490 20 0 GBADMM CCn1nncc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571228056 953161783 /nfs/dbraw/zinc/16/17/83/953161783.db2.gz HDFWGEDVEYDVPZ-GHMZBOCLSA-N -1 1 383.420 -0.157 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)Cn1cncn1 ZINC001571228057 953161423 /nfs/dbraw/zinc/16/14/23/953161423.db2.gz HEMMZSAZQDRYEY-NEPJUHHUSA-N -1 1 383.420 -0.448 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)Cn1cncn1 ZINC001571228058 953161826 /nfs/dbraw/zinc/16/18/26/953161826.db2.gz HEMMZSAZQDRYEY-NWDGAFQWSA-N -1 1 383.420 -0.448 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)Cn1cncn1 ZINC001571228059 953161919 /nfs/dbraw/zinc/16/19/19/953161919.db2.gz HEMMZSAZQDRYEY-RYUDHWBXSA-N -1 1 383.420 -0.448 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)Cn1cncn1 ZINC001571228060 953161938 /nfs/dbraw/zinc/16/19/38/953161938.db2.gz HEMMZSAZQDRYEY-VXGBXAGGSA-N -1 1 383.420 -0.448 20 0 GBADMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCn2ccnn2)C1 ZINC001571228061 953161593 /nfs/dbraw/zinc/16/15/93/953161593.db2.gz HEXIMNYPGQSZKJ-INIZCTEOSA-N -1 1 383.420 -0.011 20 0 GBADMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCn2ccnn2)C1 ZINC001571228061 953161590 /nfs/dbraw/zinc/16/15/90/953161590.db2.gz HEXIMNYPGQSZKJ-INIZCTEOSA-N -1 1 383.420 -0.011 20 0 GBADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCn2ccnn2)C1 ZINC001571228062 953161391 /nfs/dbraw/zinc/16/13/91/953161391.db2.gz HEXIMNYPGQSZKJ-MRXNPFEDSA-N -1 1 383.420 -0.011 20 0 GBADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCn2ccnn2)C1 ZINC001571228062 953161390 /nfs/dbraw/zinc/16/13/90/953161390.db2.gz HEXIMNYPGQSZKJ-MRXNPFEDSA-N -1 1 383.420 -0.011 20 0 GBADMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571228075 953161680 /nfs/dbraw/zinc/16/16/80/953161680.db2.gz HNNBIYYOTODMIV-KXNHARMFSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571228076 953161790 /nfs/dbraw/zinc/16/17/90/953161790.db2.gz HNNBIYYOTODMIV-NOOOWODRSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571228077 953161380 /nfs/dbraw/zinc/16/13/80/953161380.db2.gz HNNBIYYOTODMIV-RHYQMDGZSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571228078 953161947 /nfs/dbraw/zinc/16/19/47/953161947.db2.gz HNNBIYYOTODMIV-WRWGMCAJSA-N -1 1 383.416 -0.652 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001571228080 953161366 /nfs/dbraw/zinc/16/13/66/953161366.db2.gz HRVTZFBJPFRJJJ-NEPJUHHUSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001571228080 953161364 /nfs/dbraw/zinc/16/13/64/953161364.db2.gz HRVTZFBJPFRJJJ-NEPJUHHUSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001571228081 953161599 /nfs/dbraw/zinc/16/15/99/953161599.db2.gz HRVTZFBJPFRJJJ-NWDGAFQWSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001571228081 953161598 /nfs/dbraw/zinc/16/15/98/953161598.db2.gz HRVTZFBJPFRJJJ-NWDGAFQWSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001571228082 953161635 /nfs/dbraw/zinc/16/16/35/953161635.db2.gz HRVTZFBJPFRJJJ-RYUDHWBXSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001571228082 953161632 /nfs/dbraw/zinc/16/16/32/953161632.db2.gz HRVTZFBJPFRJJJ-RYUDHWBXSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001571228083 953161916 /nfs/dbraw/zinc/16/19/16/953161916.db2.gz HRVTZFBJPFRJJJ-VXGBXAGGSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001571228083 953161914 /nfs/dbraw/zinc/16/19/14/953161914.db2.gz HRVTZFBJPFRJJJ-VXGBXAGGSA-N -1 1 383.420 -0.206 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)CCn3cncn3)CC2)n1 ZINC001571228084 953161819 /nfs/dbraw/zinc/16/18/19/953161819.db2.gz HRZUPGODLZZDKV-UHFFFAOYSA-N -1 1 383.420 -0.451 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)CCn3cncn3)CC2)n1 ZINC001571228084 953161817 /nfs/dbraw/zinc/16/18/17/953161817.db2.gz HRZUPGODLZZDKV-UHFFFAOYSA-N -1 1 383.420 -0.451 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001571228086 953161515 /nfs/dbraw/zinc/16/15/15/953161515.db2.gz HUVYSPWAZWTXJG-WJYNOGRTSA-N -1 1 383.416 -0.150 20 0 GBADMM CCn1nncc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571228090 953161899 /nfs/dbraw/zinc/16/18/99/953161899.db2.gz ICQRNLITYPSFFO-LLVKDONJSA-N -1 1 383.420 -0.347 20 0 GBADMM CCn1nncc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571228091 953161457 /nfs/dbraw/zinc/16/14/57/953161457.db2.gz ICQRNLITYPSFFO-NSHDSACASA-N -1 1 383.420 -0.347 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571228097 953161452 /nfs/dbraw/zinc/16/14/52/953161452.db2.gz IKASWUYUQNNGDD-GRYCIOLGSA-N -1 1 383.416 -0.495 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571228097 953161449 /nfs/dbraw/zinc/16/14/49/953161449.db2.gz IKASWUYUQNNGDD-GRYCIOLGSA-N -1 1 383.416 -0.495 20 0 GBADMM CCc1nc(N[C@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571228101 953161835 /nfs/dbraw/zinc/16/18/35/953161835.db2.gz ILVSPANNJULFPI-JTQLQIEISA-N -1 1 383.420 -0.017 20 0 GBADMM CCc1nc(N[C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571228102 953161846 /nfs/dbraw/zinc/16/18/46/953161846.db2.gz ILVSPANNJULFPI-SNVBAGLBSA-N -1 1 383.420 -0.017 20 0 GBADMM CCn1ncc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571228111 953162579 /nfs/dbraw/zinc/16/25/79/953162579.db2.gz IPVSLLNLSVEASG-GHMZBOCLSA-N -1 1 383.420 -0.157 20 0 GBADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001571228112 953162442 /nfs/dbraw/zinc/16/24/42/953162442.db2.gz ISQVJDUMIUXPKU-GFCCVEGCSA-N -1 1 383.420 -0.545 20 0 GBADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001571228112 953162440 /nfs/dbraw/zinc/16/24/40/953162440.db2.gz ISQVJDUMIUXPKU-GFCCVEGCSA-N -1 1 383.420 -0.545 20 0 GBADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001571228113 953162511 /nfs/dbraw/zinc/16/25/11/953162511.db2.gz ISQVJDUMIUXPKU-LBPRGKRZSA-N -1 1 383.420 -0.545 20 0 GBADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001571228113 953162510 /nfs/dbraw/zinc/16/25/10/953162510.db2.gz ISQVJDUMIUXPKU-LBPRGKRZSA-N -1 1 383.420 -0.545 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571228114 953162516 /nfs/dbraw/zinc/16/25/16/953162516.db2.gz ISYJLXCSVDLPSU-QJPTWQEYSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571228114 953162514 /nfs/dbraw/zinc/16/25/14/953162514.db2.gz ISYJLXCSVDLPSU-QJPTWQEYSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571228115 953162534 /nfs/dbraw/zinc/16/25/34/953162534.db2.gz ISYJLXCSVDLPSU-SDDRHHMPSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571228115 953162533 /nfs/dbraw/zinc/16/25/33/953162533.db2.gz ISYJLXCSVDLPSU-SDDRHHMPSA-N -1 1 383.416 -0.638 20 0 GBADMM CC1(C)CN(C(=O)CCn2ccnn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571228116 953162196 /nfs/dbraw/zinc/16/21/96/953162196.db2.gz ITTJEEDSDZEGCD-GFCCVEGCSA-N -1 1 383.420 -0.013 20 0 GBADMM CC1(C)CN(C(=O)CCn2ccnn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571228116 953162195 /nfs/dbraw/zinc/16/21/95/953162195.db2.gz ITTJEEDSDZEGCD-GFCCVEGCSA-N -1 1 383.420 -0.013 20 0 GBADMM CC1(C)CN(C(=O)CCn2ccnn2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571228117 953162644 /nfs/dbraw/zinc/16/26/44/953162644.db2.gz ITTJEEDSDZEGCD-LBPRGKRZSA-N -1 1 383.420 -0.013 20 0 GBADMM CC1(C)CN(C(=O)CCn2ccnn2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571228117 953162643 /nfs/dbraw/zinc/16/26/43/953162643.db2.gz ITTJEEDSDZEGCD-LBPRGKRZSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571228120 953162270 /nfs/dbraw/zinc/16/22/70/953162270.db2.gz IWBYYVQIIXINKA-GHMZBOCLSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571228121 953162297 /nfs/dbraw/zinc/16/22/97/953162297.db2.gz IWBYYVQIIXINKA-MNOVXSKESA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571228122 953162562 /nfs/dbraw/zinc/16/25/62/953162562.db2.gz IWBYYVQIIXINKA-QWRGUYRKSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571228123 953162287 /nfs/dbraw/zinc/16/22/87/953162287.db2.gz IWBYYVQIIXINKA-WDEREUQCSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571228124 953162470 /nfs/dbraw/zinc/16/24/70/953162470.db2.gz IWGTVWQWYMARRQ-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571228124 953162469 /nfs/dbraw/zinc/16/24/69/953162469.db2.gz IWGTVWQWYMARRQ-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571228125 953162333 /nfs/dbraw/zinc/16/23/33/953162333.db2.gz IWGTVWQWYMARRQ-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571228125 953162329 /nfs/dbraw/zinc/16/23/29/953162329.db2.gz IWGTVWQWYMARRQ-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571228126 953162282 /nfs/dbraw/zinc/16/22/82/953162282.db2.gz IWGTVWQWYMARRQ-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571228126 953162279 /nfs/dbraw/zinc/16/22/79/953162279.db2.gz IWGTVWQWYMARRQ-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571228127 953162430 /nfs/dbraw/zinc/16/24/30/953162430.db2.gz IWGTVWQWYMARRQ-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571228127 953162429 /nfs/dbraw/zinc/16/24/29/953162429.db2.gz IWGTVWQWYMARRQ-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM CN(C[C@H]1CCCN(C(=O)c2cnnn2C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571228129 953162537 /nfs/dbraw/zinc/16/25/37/953162537.db2.gz IWPYARIWYKAGDW-LLVKDONJSA-N -1 1 383.420 -0.226 20 0 GBADMM CN(C[C@@H]1CCCN(C(=O)c2cnnn2C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571228130 953162363 /nfs/dbraw/zinc/16/23/63/953162363.db2.gz IWPYARIWYKAGDW-NSHDSACASA-N -1 1 383.420 -0.226 20 0 GBADMM CC[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571228140 953162354 /nfs/dbraw/zinc/16/23/54/953162354.db2.gz JFADVRRYNWLCLK-GHMZBOCLSA-N -1 1 383.420 -0.440 20 0 GBADMM CC[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571228141 953162249 /nfs/dbraw/zinc/16/22/49/953162249.db2.gz JFADVRRYNWLCLK-MNOVXSKESA-N -1 1 383.420 -0.440 20 0 GBADMM CC[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571228142 953162371 /nfs/dbraw/zinc/16/23/71/953162371.db2.gz JFADVRRYNWLCLK-QWRGUYRKSA-N -1 1 383.420 -0.440 20 0 GBADMM CC[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571228143 953162650 /nfs/dbraw/zinc/16/26/50/953162650.db2.gz JFADVRRYNWLCLK-WDEREUQCSA-N -1 1 383.420 -0.440 20 0 GBADMM CCn1nc(C)c(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571228150 953162600 /nfs/dbraw/zinc/16/26/00/953162600.db2.gz JIOXZUBRIDETCD-INIZCTEOSA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1nc(C)c(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571228150 953162598 /nfs/dbraw/zinc/16/25/98/953162598.db2.gz JIOXZUBRIDETCD-INIZCTEOSA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1nc(C)c(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571228151 953162521 /nfs/dbraw/zinc/16/25/21/953162521.db2.gz JIOXZUBRIDETCD-MRXNPFEDSA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1nc(C)c(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571228151 953162519 /nfs/dbraw/zinc/16/25/19/953162519.db2.gz JIOXZUBRIDETCD-MRXNPFEDSA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1cc(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nn1 ZINC001571228160 953162485 /nfs/dbraw/zinc/16/24/85/953162485.db2.gz JOQYWFYZXIXXPW-UHFFFAOYSA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1cc(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nn1 ZINC001571228160 953162484 /nfs/dbraw/zinc/16/24/84/953162484.db2.gz JOQYWFYZXIXXPW-UHFFFAOYSA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1nncc1C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228163 953162568 /nfs/dbraw/zinc/16/25/68/953162568.db2.gz JTBWNTOKACQGJV-LLVKDONJSA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1nncc1C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228163 953162566 /nfs/dbraw/zinc/16/25/66/953162566.db2.gz JTBWNTOKACQGJV-LLVKDONJSA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1nncc1C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228164 953162680 /nfs/dbraw/zinc/16/26/80/953162680.db2.gz JTBWNTOKACQGJV-NSHDSACASA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1nncc1C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228164 953162677 /nfs/dbraw/zinc/16/26/77/953162677.db2.gz JTBWNTOKACQGJV-NSHDSACASA-N -1 1 383.420 -0.086 20 0 GBADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)[C@@H]1CCC(=O)N1 ZINC001571228165 953162613 /nfs/dbraw/zinc/16/26/13/953162613.db2.gz JVGBDVVJKMGDIH-VHCSNTOCSA-N -1 1 383.416 -0.225 20 0 GBADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)[C@@H]1CCC(=O)N1 ZINC001571228165 953162611 /nfs/dbraw/zinc/16/26/11/953162611.db2.gz JVGBDVVJKMGDIH-VHCSNTOCSA-N -1 1 383.416 -0.225 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@H]1CCNC(=O)CC1 ZINC001571228166 953162344 /nfs/dbraw/zinc/16/23/44/953162344.db2.gz JWIPGBFIDPSWLG-DCQANWLSSA-N -1 1 383.416 -0.876 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@H]1CCNC(=O)CC1 ZINC001571228166 953162341 /nfs/dbraw/zinc/16/23/41/953162341.db2.gz JWIPGBFIDPSWLG-DCQANWLSSA-N -1 1 383.416 -0.876 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@@H]1CCNC(=O)CC1 ZINC001571228167 953162421 /nfs/dbraw/zinc/16/24/21/953162421.db2.gz JWIPGBFIDPSWLG-MEWQQHAOSA-N -1 1 383.416 -0.876 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@@H]1CCNC(=O)CC1 ZINC001571228167 953162420 /nfs/dbraw/zinc/16/24/20/953162420.db2.gz JWIPGBFIDPSWLG-MEWQQHAOSA-N -1 1 383.416 -0.876 20 0 GBADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571228197 953163206 /nfs/dbraw/zinc/16/32/06/953163206.db2.gz KPJZHLMMTPHPFF-KXNHARMFSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571228197 953163205 /nfs/dbraw/zinc/16/32/05/953163205.db2.gz KPJZHLMMTPHPFF-KXNHARMFSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@H]1CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571228198 953162993 /nfs/dbraw/zinc/16/29/93/953162993.db2.gz KPJZHLMMTPHPFF-USZNOCQGSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@H]1CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571228198 953162991 /nfs/dbraw/zinc/16/29/91/953162991.db2.gz KPJZHLMMTPHPFF-USZNOCQGSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@H]1CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571228199 953163185 /nfs/dbraw/zinc/16/31/85/953163185.db2.gz KPJZHLMMTPHPFF-WHOHXGKFSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@H]1CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571228199 953163183 /nfs/dbraw/zinc/16/31/83/953163183.db2.gz KPJZHLMMTPHPFF-WHOHXGKFSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@@H]1CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571228200 953163281 /nfs/dbraw/zinc/16/32/81/953163281.db2.gz KPJZHLMMTPHPFF-WRWGMCAJSA-N -1 1 383.416 -0.652 20 0 GBADMM NC(=O)[C@@H]1CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571228200 953163279 /nfs/dbraw/zinc/16/32/79/953163279.db2.gz KPJZHLMMTPHPFF-WRWGMCAJSA-N -1 1 383.416 -0.652 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)c1ncn(C)n1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571228206 953163048 /nfs/dbraw/zinc/16/30/48/953163048.db2.gz KSCOCSSYDJMZQG-NSHDSACASA-N -1 1 383.420 -0.084 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)c1ncn(C)n1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571228206 953163045 /nfs/dbraw/zinc/16/30/45/953163045.db2.gz KSCOCSSYDJMZQG-NSHDSACASA-N -1 1 383.420 -0.084 20 0 GBADMM CCN(C(=O)c1cnn(C)c1N)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571228207 953163220 /nfs/dbraw/zinc/16/32/20/953163220.db2.gz KUJVCXQVZKYDFI-JTQLQIEISA-N -1 1 383.420 -0.287 20 0 GBADMM CCN(C(=O)c1cnn(C)c1N)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571228208 953163138 /nfs/dbraw/zinc/16/31/38/953163138.db2.gz KUJVCXQVZKYDFI-SNVBAGLBSA-N -1 1 383.420 -0.287 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001571228209 953163163 /nfs/dbraw/zinc/16/31/63/953163163.db2.gz KUVPPCMORISEGE-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001571228209 953163161 /nfs/dbraw/zinc/16/31/61/953163161.db2.gz KUVPPCMORISEGE-GFCCVEGCSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001571228210 953163009 /nfs/dbraw/zinc/16/30/09/953163009.db2.gz KUVPPCMORISEGE-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001571228210 953163007 /nfs/dbraw/zinc/16/30/07/953163007.db2.gz KUVPPCMORISEGE-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571228214 953162924 /nfs/dbraw/zinc/16/29/24/953162924.db2.gz KXOFDXRWEZEXQX-NTZNESFSSA-N -1 1 383.416 -0.780 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571228214 953162921 /nfs/dbraw/zinc/16/29/21/953162921.db2.gz KXOFDXRWEZEXQX-NTZNESFSSA-N -1 1 383.416 -0.780 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1)c1nccnc1-c1nn[n-]n1 ZINC001571228218 953162918 /nfs/dbraw/zinc/16/29/18/953162918.db2.gz LBHUAWJZALZOMR-JTQLQIEISA-N -1 1 383.420 -0.429 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1)c1nccnc1-c1nnn[n-]1 ZINC001571228218 953162915 /nfs/dbraw/zinc/16/29/15/953162915.db2.gz LBHUAWJZALZOMR-JTQLQIEISA-N -1 1 383.420 -0.429 20 0 GBADMM CN(C[C@H]1CCN(C(=O)c2cnn(C)c2N)C1)c1nccnc1-c1nn[n-]n1 ZINC001571228219 953162898 /nfs/dbraw/zinc/16/28/98/953162898.db2.gz LBHUAWJZALZOMR-SNVBAGLBSA-N -1 1 383.420 -0.429 20 0 GBADMM CN(C[C@H]1CCN(C(=O)c2cnn(C)c2N)C1)c1nccnc1-c1nnn[n-]1 ZINC001571228219 953162895 /nfs/dbraw/zinc/16/28/95/953162895.db2.gz LBHUAWJZALZOMR-SNVBAGLBSA-N -1 1 383.420 -0.429 20 0 GBADMM CCc1nc(N[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571228223 953163015 /nfs/dbraw/zinc/16/30/15/953163015.db2.gz LDNNDHMBXDXXAG-CMPLNLGQSA-N -1 1 383.420 -0.230 20 0 GBADMM CCc1nc(N[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571228223 953163013 /nfs/dbraw/zinc/16/30/13/953163013.db2.gz LDNNDHMBXDXXAG-CMPLNLGQSA-N -1 1 383.420 -0.230 20 0 GBADMM CCc1nc(N[C@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571228224 953163001 /nfs/dbraw/zinc/16/30/01/953163001.db2.gz LDNNDHMBXDXXAG-JQWIXIFHSA-N -1 1 383.420 -0.230 20 0 GBADMM CCc1nc(N[C@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571228224 953162999 /nfs/dbraw/zinc/16/29/99/953162999.db2.gz LDNNDHMBXDXXAG-JQWIXIFHSA-N -1 1 383.420 -0.230 20 0 GBADMM CCc1nc(N[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571228225 953163239 /nfs/dbraw/zinc/16/32/39/953163239.db2.gz LDNNDHMBXDXXAG-PWSUYJOCSA-N -1 1 383.420 -0.230 20 0 GBADMM CCc1nc(N[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571228225 953163238 /nfs/dbraw/zinc/16/32/38/953163238.db2.gz LDNNDHMBXDXXAG-PWSUYJOCSA-N -1 1 383.420 -0.230 20 0 GBADMM CCc1nc(N[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571228226 953163306 /nfs/dbraw/zinc/16/33/06/953163306.db2.gz LDNNDHMBXDXXAG-ZYHUDNBSSA-N -1 1 383.420 -0.230 20 0 GBADMM CCc1nc(N[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571228226 953163304 /nfs/dbraw/zinc/16/33/04/953163304.db2.gz LDNNDHMBXDXXAG-ZYHUDNBSSA-N -1 1 383.420 -0.230 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)c3ncn(C)n3)C2)n1 ZINC001571228244 953162977 /nfs/dbraw/zinc/16/29/77/953162977.db2.gz LQCWESYXRCHNGN-JTQLQIEISA-N -1 1 383.420 -0.396 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)c3ncn(C)n3)C2)n1 ZINC001571228244 953162975 /nfs/dbraw/zinc/16/29/75/953162975.db2.gz LQCWESYXRCHNGN-JTQLQIEISA-N -1 1 383.420 -0.396 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)c3ncn(C)n3)C2)n1 ZINC001571228245 953163264 /nfs/dbraw/zinc/16/32/64/953163264.db2.gz LQCWESYXRCHNGN-SNVBAGLBSA-N -1 1 383.420 -0.396 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)c3ncn(C)n3)C2)n1 ZINC001571228245 953163263 /nfs/dbraw/zinc/16/32/63/953163263.db2.gz LQCWESYXRCHNGN-SNVBAGLBSA-N -1 1 383.420 -0.396 20 0 GBADMM O=C(CN1CCCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571228246 953163197 /nfs/dbraw/zinc/16/31/97/953163197.db2.gz LQVHCOYZUKQVGU-UTUOFQBUSA-N -1 1 383.416 -0.495 20 0 GBADMM O=C(CN1CCCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571228246 953163195 /nfs/dbraw/zinc/16/31/95/953163195.db2.gz LQVHCOYZUKQVGU-UTUOFQBUSA-N -1 1 383.416 -0.495 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)nn1 ZINC001571228267 953162936 /nfs/dbraw/zinc/16/29/36/953162936.db2.gz MDXBQPIXYTVQQF-GHMZBOCLSA-N -1 1 383.420 -0.299 20 0 GBADMM CCn1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)nn1 ZINC001571228268 953163117 /nfs/dbraw/zinc/16/31/17/953163117.db2.gz MDXBQPIXYTVQQF-MNOVXSKESA-N -1 1 383.420 -0.299 20 0 GBADMM CCn1cc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)nn1 ZINC001571228269 953163215 /nfs/dbraw/zinc/16/32/15/953163215.db2.gz MDXBQPIXYTVQQF-QWRGUYRKSA-N -1 1 383.420 -0.299 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)nn1 ZINC001571228270 953163336 /nfs/dbraw/zinc/16/33/36/953163336.db2.gz MDXBQPIXYTVQQF-WDEREUQCSA-N -1 1 383.420 -0.299 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228271 953163821 /nfs/dbraw/zinc/16/38/21/953163821.db2.gz MDYKJYCHMWVZIR-GHMZBOCLSA-N -1 1 383.420 -0.157 20 0 GBADMM CCn1cc(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228272 953163650 /nfs/dbraw/zinc/16/36/50/953163650.db2.gz MDYKJYCHMWVZIR-MNOVXSKESA-N -1 1 383.420 -0.157 20 0 GBADMM CCn1cc(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228273 953163762 /nfs/dbraw/zinc/16/37/62/953163762.db2.gz MDYKJYCHMWVZIR-QWRGUYRKSA-N -1 1 383.420 -0.157 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228274 953163796 /nfs/dbraw/zinc/16/37/96/953163796.db2.gz MDYKJYCHMWVZIR-WDEREUQCSA-N -1 1 383.420 -0.157 20 0 GBADMM CCn1nncc1C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571228280 953163606 /nfs/dbraw/zinc/16/36/06/953163606.db2.gz MLQKAUPWRWBSBT-XYPYZODXSA-N -1 1 383.420 -0.157 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)CCn2cncn2)CC1 ZINC001571228302 953163792 /nfs/dbraw/zinc/16/37/92/953163792.db2.gz MXKDKNXKBLEPMG-UHFFFAOYSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)CCn2cncn2)CC1 ZINC001571228302 953163790 /nfs/dbraw/zinc/16/37/90/953163790.db2.gz MXKDKNXKBLEPMG-UHFFFAOYSA-N -1 1 383.420 -0.234 20 0 GBADMM CCCn1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)nn1 ZINC001571228349 953163992 /nfs/dbraw/zinc/16/39/92/953163992.db2.gz NLKJIXNDUUSMMS-GHMZBOCLSA-N -1 1 383.420 -0.205 20 0 GBADMM CCCn1cc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)nn1 ZINC001571228351 953163629 /nfs/dbraw/zinc/16/36/29/953163629.db2.gz NLKJIXNDUUSMMS-MNOVXSKESA-N -1 1 383.420 -0.205 20 0 GBADMM CCCn1cc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)nn1 ZINC001571228353 953163745 /nfs/dbraw/zinc/16/37/45/953163745.db2.gz NLKJIXNDUUSMMS-QWRGUYRKSA-N -1 1 383.420 -0.205 20 0 GBADMM CCCn1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)nn1 ZINC001571228354 953163694 /nfs/dbraw/zinc/16/36/94/953163694.db2.gz NLKJIXNDUUSMMS-WDEREUQCSA-N -1 1 383.420 -0.205 20 0 GBADMM CCn1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)n1 ZINC001571228358 953164019 /nfs/dbraw/zinc/16/40/19/953164019.db2.gz NNRCQJKVKBQPCM-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM CCn1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)n1 ZINC001571228358 953164017 /nfs/dbraw/zinc/16/40/17/953164017.db2.gz NNRCQJKVKBQPCM-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM CCCn1cc(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228399 953163813 /nfs/dbraw/zinc/16/38/13/953163813.db2.gz OKKXMOYHDUUUKV-UHFFFAOYSA-N -1 1 383.420 -0.299 20 0 GBADMM CCCn1cc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228400 953163768 /nfs/dbraw/zinc/16/37/68/953163768.db2.gz OKKXMOYHDUUUKV-XYPYZODXSA-N -1 1 383.420 -0.299 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571228409 953163827 /nfs/dbraw/zinc/16/38/27/953163827.db2.gz OXHJRTRRUZMSSA-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571228409 953163826 /nfs/dbraw/zinc/16/38/26/953163826.db2.gz OXHJRTRRUZMSSA-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571228411 953164749 /nfs/dbraw/zinc/16/47/49/953164749.db2.gz OXHJRTRRUZMSSA-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571228411 953164746 /nfs/dbraw/zinc/16/47/46/953164746.db2.gz OXHJRTRRUZMSSA-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571228413 953164528 /nfs/dbraw/zinc/16/45/28/953164528.db2.gz OXHJRTRRUZMSSA-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571228413 953164527 /nfs/dbraw/zinc/16/45/27/953164527.db2.gz OXHJRTRRUZMSSA-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571228415 953164446 /nfs/dbraw/zinc/16/44/46/953164446.db2.gz OXHJRTRRUZMSSA-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571228415 953164444 /nfs/dbraw/zinc/16/44/44/953164444.db2.gz OXHJRTRRUZMSSA-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001571228425 953164660 /nfs/dbraw/zinc/16/46/60/953164660.db2.gz OZRVTEOMFPKGPG-JTQLQIEISA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001571228427 953164570 /nfs/dbraw/zinc/16/45/70/953164570.db2.gz OZRVTEOMFPKGPG-SNVBAGLBSA-N -1 1 383.420 -0.440 20 0 GBADMM CCn1nc(C)c(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228440 953164377 /nfs/dbraw/zinc/16/43/77/953164377.db2.gz PCWJQAAVAURWEA-LLVKDONJSA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1nc(C)c(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571228440 953164373 /nfs/dbraw/zinc/16/43/73/953164373.db2.gz PCWJQAAVAURWEA-LLVKDONJSA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1nc(C)c(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228443 953164477 /nfs/dbraw/zinc/16/44/77/953164477.db2.gz PCWJQAAVAURWEA-NSHDSACASA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1nc(C)c(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571228443 953164472 /nfs/dbraw/zinc/16/44/72/953164472.db2.gz PCWJQAAVAURWEA-NSHDSACASA-N -1 1 383.420 -0.073 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)c1cnn(C)n1)c1cncc(-c2nn[n-]n2)n1 ZINC001571228463 953164325 /nfs/dbraw/zinc/16/43/25/953164325.db2.gz PGEUYFNJBUFBIN-NSHDSACASA-N -1 1 383.420 -0.084 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)c1cnn(C)n1)c1cncc(-c2nnn[n-]2)n1 ZINC001571228463 953164322 /nfs/dbraw/zinc/16/43/22/953164322.db2.gz PGEUYFNJBUFBIN-NSHDSACASA-N -1 1 383.420 -0.084 20 0 GBADMM CCn1nncc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571228481 953164650 /nfs/dbraw/zinc/16/46/50/953164650.db2.gz PQJJSPOERVHZDU-GHMZBOCLSA-N -1 1 383.420 -0.205 20 0 GBADMM CCn1nncc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571228482 953164255 /nfs/dbraw/zinc/16/42/55/953164255.db2.gz PQJJSPOERVHZDU-MNOVXSKESA-N -1 1 383.420 -0.205 20 0 GBADMM CCn1nncc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571228483 953164230 /nfs/dbraw/zinc/16/42/30/953164230.db2.gz PQJJSPOERVHZDU-QWRGUYRKSA-N -1 1 383.420 -0.205 20 0 GBADMM CCn1nncc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571228484 953164732 /nfs/dbraw/zinc/16/47/32/953164732.db2.gz PQJJSPOERVHZDU-WDEREUQCSA-N -1 1 383.420 -0.205 20 0 GBADMM CCc1nc(NC2CCN(C(=O)Cc3nnc[nH]3)CC2)cc(-c2nn[n-]n2)n1 ZINC001571228485 953164625 /nfs/dbraw/zinc/16/46/25/953164625.db2.gz PRFXIDWFBBHDKC-UHFFFAOYSA-N -1 1 383.420 -0.017 20 0 GBADMM O=C(N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1CCC(=O)N1 ZINC001571228486 953164810 /nfs/dbraw/zinc/16/48/10/953164810.db2.gz PSKIEZKCTQINBG-AGKHESDQSA-N -1 1 383.416 -0.447 20 0 GBADMM O=C(N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1CCC(=O)N1 ZINC001571228487 953164367 /nfs/dbraw/zinc/16/43/67/953164367.db2.gz PSKIEZKCTQINBG-CZIZLABSSA-N -1 1 383.416 -0.447 20 0 GBADMM O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1CCC(=O)N1 ZINC001571228488 953164578 /nfs/dbraw/zinc/16/45/78/953164578.db2.gz PSKIEZKCTQINBG-RLFDGXBXSA-N -1 1 383.416 -0.447 20 0 GBADMM O=C(N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1CCC(=O)N1 ZINC001571228489 953164340 /nfs/dbraw/zinc/16/43/40/953164340.db2.gz PSKIEZKCTQINBG-VGTOOOLASA-N -1 1 383.416 -0.447 20 0 GBADMM O=C(C[C@H]1CCNC1=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571228502 953164295 /nfs/dbraw/zinc/16/42/95/953164295.db2.gz PUOJIQNSZRQOAR-GRYCIOLGSA-N -1 1 383.416 -0.780 20 0 GBADMM O=C(C[C@@H]1CCNC1=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571228503 953164632 /nfs/dbraw/zinc/16/46/32/953164632.db2.gz PUOJIQNSZRQOAR-SDDRHHMPSA-N -1 1 383.416 -0.780 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571228508 953164458 /nfs/dbraw/zinc/16/44/58/953164458.db2.gz PZKQYCLXTWPLOD-NEPJUHHUSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571228508 953164457 /nfs/dbraw/zinc/16/44/57/953164457.db2.gz PZKQYCLXTWPLOD-NEPJUHHUSA-N -1 1 383.420 -0.013 20 0 GBADMM CCn1nc(C)c(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228515 953164493 /nfs/dbraw/zinc/16/44/93/953164493.db2.gz QFWSLLIIGGDMLW-UHFFFAOYSA-N -1 1 383.420 -0.381 20 0 GBADMM CCn1nc(C)c(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228524 953164774 /nfs/dbraw/zinc/16/47/74/953164774.db2.gz QKQKEDAUKLRJJH-LLVKDONJSA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1nc(C)c(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228524 953164772 /nfs/dbraw/zinc/16/47/72/953164772.db2.gz QKQKEDAUKLRJJH-LLVKDONJSA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1nc(C)c(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228525 953164701 /nfs/dbraw/zinc/16/47/01/953164701.db2.gz QKQKEDAUKLRJJH-NSHDSACASA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1nc(C)c(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228525 953164699 /nfs/dbraw/zinc/16/46/99/953164699.db2.gz QKQKEDAUKLRJJH-NSHDSACASA-N -1 1 383.420 -0.073 20 0 GBADMM CCCn1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228537 953165090 /nfs/dbraw/zinc/16/50/90/953165090.db2.gz QYIPHHPHZMGVCH-LLVKDONJSA-N -1 1 383.420 -0.203 20 0 GBADMM CCCn1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228538 953165437 /nfs/dbraw/zinc/16/54/37/953165437.db2.gz QYIPHHPHZMGVCH-NSHDSACASA-N -1 1 383.420 -0.203 20 0 GBADMM CCn1ncc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001571228540 953165514 /nfs/dbraw/zinc/16/55/14/953165514.db2.gz RAOZROUJKVDWCZ-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM CCn1ncc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)n1 ZINC001571228540 953165511 /nfs/dbraw/zinc/16/55/11/953165511.db2.gz RAOZROUJKVDWCZ-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM CCn1cc(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571228544 953165327 /nfs/dbraw/zinc/16/53/27/953165327.db2.gz REKWWWWYWHVMHB-LLVKDONJSA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1cc(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571228544 953165326 /nfs/dbraw/zinc/16/53/26/953165326.db2.gz REKWWWWYWHVMHB-LLVKDONJSA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1cc(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571228545 953165213 /nfs/dbraw/zinc/16/52/13/953165213.db2.gz REKWWWWYWHVMHB-NSHDSACASA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1cc(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571228545 953165210 /nfs/dbraw/zinc/16/52/10/953165210.db2.gz REKWWWWYWHVMHB-NSHDSACASA-N -1 1 383.420 -0.086 20 0 GBADMM O=C([C@H]1CCC(=O)N1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571228546 953165124 /nfs/dbraw/zinc/16/51/24/953165124.db2.gz RFANQRCQPNRHTE-GRYCIOLGSA-N -1 1 383.416 -0.495 20 0 GBADMM O=C([C@H]1CCC(=O)N1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571228546 953165121 /nfs/dbraw/zinc/16/51/21/953165121.db2.gz RFANQRCQPNRHTE-GRYCIOLGSA-N -1 1 383.416 -0.495 20 0 GBADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001571228552 953165494 /nfs/dbraw/zinc/16/54/94/953165494.db2.gz RFTQDGRMYDFBBN-YATPEIPISA-N -1 1 383.416 -0.449 20 0 GBADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCC(=O)N1 ZINC001571228552 953165492 /nfs/dbraw/zinc/16/54/92/953165492.db2.gz RFTQDGRMYDFBBN-YATPEIPISA-N -1 1 383.416 -0.449 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)CCn2ccnn2)CC1 ZINC001571228559 953165174 /nfs/dbraw/zinc/16/51/74/953165174.db2.gz RRIXTTKXIJEXDF-UHFFFAOYSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)CCn2ccnn2)CC1 ZINC001571228559 953165169 /nfs/dbraw/zinc/16/51/69/953165169.db2.gz RRIXTTKXIJEXDF-UHFFFAOYSA-N -1 1 383.420 -0.234 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001571228571 953165144 /nfs/dbraw/zinc/16/51/44/953165144.db2.gz SGBGFBXVNPEADF-LLVKDONJSA-N -1 1 383.420 -0.545 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001571228571 953165141 /nfs/dbraw/zinc/16/51/41/953165141.db2.gz SGBGFBXVNPEADF-LLVKDONJSA-N -1 1 383.420 -0.545 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001571228572 953165481 /nfs/dbraw/zinc/16/54/81/953165481.db2.gz SGBGFBXVNPEADF-NSHDSACASA-N -1 1 383.420 -0.545 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001571228572 953165479 /nfs/dbraw/zinc/16/54/79/953165479.db2.gz SGBGFBXVNPEADF-NSHDSACASA-N -1 1 383.420 -0.545 20 0 GBADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCNC(=O)C1 ZINC001571228587 953165241 /nfs/dbraw/zinc/16/52/41/953165241.db2.gz SPJYMZIWEGXQLM-UZWSLXQKSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCNC(=O)C1 ZINC001571228587 953165237 /nfs/dbraw/zinc/16/52/37/953165237.db2.gz SPJYMZIWEGXQLM-UZWSLXQKSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCNC(=O)C1 ZINC001571228588 953165027 /nfs/dbraw/zinc/16/50/27/953165027.db2.gz SPJYMZIWEGXQLM-WGBDABJCSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCNC(=O)C1 ZINC001571228588 953165023 /nfs/dbraw/zinc/16/50/23/953165023.db2.gz SPJYMZIWEGXQLM-WGBDABJCSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)[C@H]1CCC(=O)N1 ZINC001571228589 953165151 /nfs/dbraw/zinc/16/51/51/953165151.db2.gz SQPVTYLIOFRJGQ-RVPKQNPDSA-N -1 1 383.416 -0.590 20 0 GBADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)[C@H]1CCC(=O)N1 ZINC001571228589 953165150 /nfs/dbraw/zinc/16/51/50/953165150.db2.gz SQPVTYLIOFRJGQ-RVPKQNPDSA-N -1 1 383.416 -0.590 20 0 GBADMM O=C(C[C@H]1CCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571228594 953165378 /nfs/dbraw/zinc/16/53/78/953165378.db2.gz TVTJTTVBAXGHPU-DCQANWLSSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(C[C@H]1CCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571228594 953165377 /nfs/dbraw/zinc/16/53/77/953165377.db2.gz TVTJTTVBAXGHPU-DCQANWLSSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(C[C@@H]1CCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571228595 953165223 /nfs/dbraw/zinc/16/52/23/953165223.db2.gz TVTJTTVBAXGHPU-NOHGZBONSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(C[C@@H]1CCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571228595 953165220 /nfs/dbraw/zinc/16/52/20/953165220.db2.gz TVTJTTVBAXGHPU-NOHGZBONSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(C[C@H]1CCNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571228596 953165320 /nfs/dbraw/zinc/16/53/20/953165320.db2.gz TVTJTTVBAXGHPU-UZWSLXQKSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(C[C@H]1CCNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571228596 953165317 /nfs/dbraw/zinc/16/53/17/953165317.db2.gz TVTJTTVBAXGHPU-UZWSLXQKSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571228597 953165363 /nfs/dbraw/zinc/16/53/63/953165363.db2.gz TVTJTTVBAXGHPU-WGBDABJCSA-N -1 1 383.416 -0.591 20 0 GBADMM O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571228597 953165362 /nfs/dbraw/zinc/16/53/62/953165362.db2.gz TVTJTTVBAXGHPU-WGBDABJCSA-N -1 1 383.416 -0.591 20 0 GBADMM CCCn1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228609 953165534 /nfs/dbraw/zinc/16/55/34/953165534.db2.gz UELNTFZUDNNEKK-LLVKDONJSA-N -1 1 383.420 -0.086 20 0 GBADMM CCCn1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228609 953165531 /nfs/dbraw/zinc/16/55/31/953165531.db2.gz UELNTFZUDNNEKK-LLVKDONJSA-N -1 1 383.420 -0.086 20 0 GBADMM CCCn1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228610 953165528 /nfs/dbraw/zinc/16/55/28/953165528.db2.gz UELNTFZUDNNEKK-NSHDSACASA-N -1 1 383.420 -0.086 20 0 GBADMM CCCn1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228610 953165526 /nfs/dbraw/zinc/16/55/26/953165526.db2.gz UELNTFZUDNNEKK-NSHDSACASA-N -1 1 383.420 -0.086 20 0 GBADMM CCn1nncc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571228624 953165944 /nfs/dbraw/zinc/16/59/44/953165944.db2.gz UHGGGXDTGBWJST-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM CCn1nncc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571228624 953165943 /nfs/dbraw/zinc/16/59/43/953165943.db2.gz UHGGGXDTGBWJST-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)c1cn(C)nn1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571228646 953166213 /nfs/dbraw/zinc/16/62/13/953166213.db2.gz UQZBXIHNWNZJCZ-NSHDSACASA-N -1 1 383.420 -0.084 20 0 GBADMM O=C(C[C@@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571228648 953166072 /nfs/dbraw/zinc/16/60/72/953166072.db2.gz UUVBHYKROSMPOI-SDDRHHMPSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571228648 953166071 /nfs/dbraw/zinc/16/60/71/953166071.db2.gz UUVBHYKROSMPOI-SDDRHHMPSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571228649 953166131 /nfs/dbraw/zinc/16/61/31/953166131.db2.gz UUVBHYKROSMPOI-UTUOFQBUSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571228649 953166129 /nfs/dbraw/zinc/16/61/29/953166129.db2.gz UUVBHYKROSMPOI-UTUOFQBUSA-N -1 1 383.416 -0.638 20 0 GBADMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571228654 953165823 /nfs/dbraw/zinc/16/58/23/953165823.db2.gz UVWNRJHQTUCEHL-WHOHXGKFSA-N -1 1 383.416 -0.795 20 0 GBADMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571228654 953165820 /nfs/dbraw/zinc/16/58/20/953165820.db2.gz UVWNRJHQTUCEHL-WHOHXGKFSA-N -1 1 383.416 -0.795 20 0 GBADMM O=C(Cc1ccc[nH]1)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228668 953166121 /nfs/dbraw/zinc/16/61/21/953166121.db2.gz VGPKXKVQFGVBRH-KRWDZBQOSA-N -1 1 383.416 -0.007 20 0 GBADMM O=C(Cc1ccc[nH]1)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228668 953166119 /nfs/dbraw/zinc/16/61/19/953166119.db2.gz VGPKXKVQFGVBRH-KRWDZBQOSA-N -1 1 383.416 -0.007 20 0 GBADMM O=C(Cc1ccc[nH]1)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228669 953165929 /nfs/dbraw/zinc/16/59/29/953165929.db2.gz VGPKXKVQFGVBRH-QGZVFWFLSA-N -1 1 383.416 -0.007 20 0 GBADMM O=C(Cc1ccc[nH]1)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228669 953165927 /nfs/dbraw/zinc/16/59/27/953165927.db2.gz VGPKXKVQFGVBRH-QGZVFWFLSA-N -1 1 383.416 -0.007 20 0 GBADMM O=C(C[C@@H]1CCC(=O)NC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571228674 953165954 /nfs/dbraw/zinc/16/59/54/953165954.db2.gz VLYACYKCCWSNLY-SRVKXCTJSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@@H]1CCC(=O)NC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571228674 953165951 /nfs/dbraw/zinc/16/59/51/953165951.db2.gz VLYACYKCCWSNLY-SRVKXCTJSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@H]1CCC(=O)NC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571228675 953165838 /nfs/dbraw/zinc/16/58/38/953165838.db2.gz VLYACYKCCWSNLY-WOPDTQHZSA-N -1 1 383.416 -0.638 20 0 GBADMM O=C(C[C@H]1CCC(=O)NC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571228675 953165837 /nfs/dbraw/zinc/16/58/37/953165837.db2.gz VLYACYKCCWSNLY-WOPDTQHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571228682 953166090 /nfs/dbraw/zinc/16/60/90/953166090.db2.gz VOASNYSYTDBUPO-NEPJUHHUSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571228682 953166089 /nfs/dbraw/zinc/16/60/89/953166089.db2.gz VOASNYSYTDBUPO-NEPJUHHUSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571228683 953166050 /nfs/dbraw/zinc/16/60/50/953166050.db2.gz VOASNYSYTDBUPO-NWDGAFQWSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571228683 953166048 /nfs/dbraw/zinc/16/60/48/953166048.db2.gz VOASNYSYTDBUPO-NWDGAFQWSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571228684 953166096 /nfs/dbraw/zinc/16/60/96/953166096.db2.gz VOASNYSYTDBUPO-RYUDHWBXSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571228684 953166095 /nfs/dbraw/zinc/16/60/95/953166095.db2.gz VOASNYSYTDBUPO-RYUDHWBXSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571228785 953165770 /nfs/dbraw/zinc/16/57/70/953165770.db2.gz VOASNYSYTDBUPO-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571228785 953165767 /nfs/dbraw/zinc/16/57/67/953165767.db2.gz VOASNYSYTDBUPO-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM CC1(C)CN(C(=O)CCn2cncn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571228786 953166030 /nfs/dbraw/zinc/16/60/30/953166030.db2.gz VODPFXGNCKZLKM-GFCCVEGCSA-N -1 1 383.420 -0.013 20 0 GBADMM CC1(C)CN(C(=O)CCn2cncn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571228786 953166028 /nfs/dbraw/zinc/16/60/28/953166028.db2.gz VODPFXGNCKZLKM-GFCCVEGCSA-N -1 1 383.420 -0.013 20 0 GBADMM CC1(C)CN(C(=O)CCn2cncn2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571228787 953166015 /nfs/dbraw/zinc/16/60/15/953166015.db2.gz VODPFXGNCKZLKM-LBPRGKRZSA-N -1 1 383.420 -0.013 20 0 GBADMM CC1(C)CN(C(=O)CCn2cncn2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571228787 953166013 /nfs/dbraw/zinc/16/60/13/953166013.db2.gz VODPFXGNCKZLKM-LBPRGKRZSA-N -1 1 383.420 -0.013 20 0 GBADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)nn1 ZINC001571228814 953166587 /nfs/dbraw/zinc/16/65/87/953166587.db2.gz VXAQVESZDVPKNI-GHMZBOCLSA-N -1 1 383.420 -0.205 20 0 GBADMM CCCn1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)nn1 ZINC001571228815 953167008 /nfs/dbraw/zinc/16/70/08/953167008.db2.gz VXAQVESZDVPKNI-MNOVXSKESA-N -1 1 383.420 -0.205 20 0 GBADMM CCCn1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)nn1 ZINC001571228816 953167071 /nfs/dbraw/zinc/16/70/71/953167071.db2.gz VXAQVESZDVPKNI-QWRGUYRKSA-N -1 1 383.420 -0.205 20 0 GBADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)nn1 ZINC001571228817 953166837 /nfs/dbraw/zinc/16/68/37/953166837.db2.gz VXAQVESZDVPKNI-WDEREUQCSA-N -1 1 383.420 -0.205 20 0 GBADMM C[C@@H](NC(=O)c1cnnn1C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571228824 953166789 /nfs/dbraw/zinc/16/67/89/953166789.db2.gz WCICINUVPCOFQO-SNVBAGLBSA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@@H](NC(=O)c1cnnn1C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571228824 953166787 /nfs/dbraw/zinc/16/67/87/953166787.db2.gz WCICINUVPCOFQO-SNVBAGLBSA-N -1 1 383.420 -0.180 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)Cn1cncn1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571228825 953167091 /nfs/dbraw/zinc/16/70/91/953167091.db2.gz WCZYLDUATYNIGR-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)Cn1cncn1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571228825 953167090 /nfs/dbraw/zinc/16/70/90/953167090.db2.gz WCZYLDUATYNIGR-LBPRGKRZSA-N -1 1 383.420 -0.234 20 0 GBADMM O=C(CN1CCCC1=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571228838 953166919 /nfs/dbraw/zinc/16/69/19/953166919.db2.gz WIULSAYMSUNBMJ-TXEJJXNPSA-N -1 1 383.416 -0.826 20 0 GBADMM O=C(CN1CCCC1=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571228838 953166918 /nfs/dbraw/zinc/16/69/18/953166918.db2.gz WIULSAYMSUNBMJ-TXEJJXNPSA-N -1 1 383.416 -0.826 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cnnn3C)[C@H]2C)n1 ZINC001571228853 953166501 /nfs/dbraw/zinc/16/65/01/953166501.db2.gz WSJDFXNRJLXNSJ-ZJUUUORDSA-N -1 1 383.420 -0.255 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cnnn3C)[C@H]2C)n1 ZINC001571228853 953166498 /nfs/dbraw/zinc/16/64/98/953166498.db2.gz WSJDFXNRJLXNSJ-ZJUUUORDSA-N -1 1 383.420 -0.255 20 0 GBADMM CCn1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228865 953166678 /nfs/dbraw/zinc/16/66/78/953166678.db2.gz WYQNJDVSGQDKRL-LLVKDONJSA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228865 953166674 /nfs/dbraw/zinc/16/66/74/953166674.db2.gz WYQNJDVSGQDKRL-LLVKDONJSA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228866 953166899 /nfs/dbraw/zinc/16/68/99/953166899.db2.gz WYQNJDVSGQDKRL-NSHDSACASA-N -1 1 383.420 -0.025 20 0 GBADMM CCn1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228866 953166898 /nfs/dbraw/zinc/16/68/98/953166898.db2.gz WYQNJDVSGQDKRL-NSHDSACASA-N -1 1 383.420 -0.025 20 0 GBADMM C[C@@H](NC(=O)c1ncn(C)n1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571228877 953167571 /nfs/dbraw/zinc/16/75/71/953167571.db2.gz XMFBPOFGMMXCQC-SNVBAGLBSA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@@H](NC(=O)c1ncn(C)n1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571228877 953167569 /nfs/dbraw/zinc/16/75/69/953167569.db2.gz XMFBPOFGMMXCQC-SNVBAGLBSA-N -1 1 383.420 -0.180 20 0 GBADMM CCn1nncc1C(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571228882 953167720 /nfs/dbraw/zinc/16/77/20/953167720.db2.gz XNOBOUPXBIDVAA-LLVKDONJSA-N -1 1 383.420 -0.167 20 0 GBADMM CCn1nncc1C(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571228882 953167714 /nfs/dbraw/zinc/16/77/14/953167714.db2.gz XNOBOUPXBIDVAA-LLVKDONJSA-N -1 1 383.420 -0.167 20 0 GBADMM CCn1nncc1C(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571228883 953167955 /nfs/dbraw/zinc/16/79/55/953167955.db2.gz XNOBOUPXBIDVAA-NSHDSACASA-N -1 1 383.420 -0.167 20 0 GBADMM CCn1nncc1C(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571228883 953167953 /nfs/dbraw/zinc/16/79/53/953167953.db2.gz XNOBOUPXBIDVAA-NSHDSACASA-N -1 1 383.420 -0.167 20 0 GBADMM C[C@@H](NC(=O)c1cnnn1C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571228995 953167580 /nfs/dbraw/zinc/16/75/80/953167580.db2.gz XZSWFGBRNKYOMT-GHMZBOCLSA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@@H](NC(=O)c1cnnn1C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571228996 953167842 /nfs/dbraw/zinc/16/78/42/953167842.db2.gz XZSWFGBRNKYOMT-MNOVXSKESA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@H](NC(=O)c1cnnn1C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571228997 953168011 /nfs/dbraw/zinc/16/80/11/953168011.db2.gz XZSWFGBRNKYOMT-QWRGUYRKSA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@H](NC(=O)c1cnnn1C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571228998 953167792 /nfs/dbraw/zinc/16/77/92/953167792.db2.gz XZSWFGBRNKYOMT-WDEREUQCSA-N -1 1 383.420 -0.180 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571229000 953167509 /nfs/dbraw/zinc/16/75/09/953167509.db2.gz YBIRMGXTSMVOHX-WOPDTQHZSA-N -1 1 383.416 -0.495 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571229000 953167505 /nfs/dbraw/zinc/16/75/05/953167505.db2.gz YBIRMGXTSMVOHX-WOPDTQHZSA-N -1 1 383.416 -0.495 20 0 GBADMM CN(CC1CCN(C(=O)c2cn(C)nn2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571229008 953167922 /nfs/dbraw/zinc/16/79/22/953167922.db2.gz YEBLZOZEMKCUCZ-UHFFFAOYSA-N -1 1 383.420 -0.226 20 0 GBADMM CN(CC1CCN(C(=O)c2cn(C)nn2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571229008 953167921 /nfs/dbraw/zinc/16/79/21/953167921.db2.gz YEBLZOZEMKCUCZ-UHFFFAOYSA-N -1 1 383.420 -0.226 20 0 GBADMM CCc1nc(NCC2CC(NC(=O)Cn3cncn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571229024 953167539 /nfs/dbraw/zinc/16/75/39/953167539.db2.gz YKGBULLPKLIOAC-UHFFFAOYSA-N -1 1 383.420 -0.183 20 0 GBADMM CCc1nc(NCC2CC(NC(=O)Cn3cncn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571229024 953167536 /nfs/dbraw/zinc/16/75/36/953167536.db2.gz YKGBULLPKLIOAC-UHFFFAOYSA-N -1 1 383.420 -0.183 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571229025 953167815 /nfs/dbraw/zinc/16/78/15/953167815.db2.gz YKHVTNSBTODOFX-TUAOUCFPSA-N -1 1 383.416 -0.495 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571229025 953167813 /nfs/dbraw/zinc/16/78/13/953167813.db2.gz YKHVTNSBTODOFX-TUAOUCFPSA-N -1 1 383.416 -0.495 20 0 GBADMM CCn1cc(C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571229030 953167497 /nfs/dbraw/zinc/16/74/97/953167497.db2.gz YPSIWMXDRXWXAJ-LLVKDONJSA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1cc(C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571229030 953167493 /nfs/dbraw/zinc/16/74/93/953167493.db2.gz YPSIWMXDRXWXAJ-LLVKDONJSA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1cc(C(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571229032 953167750 /nfs/dbraw/zinc/16/77/50/953167750.db2.gz YPSIWMXDRXWXAJ-NSHDSACASA-N -1 1 383.420 -0.073 20 0 GBADMM CCn1cc(C(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571229032 953167748 /nfs/dbraw/zinc/16/77/48/953167748.db2.gz YPSIWMXDRXWXAJ-NSHDSACASA-N -1 1 383.420 -0.073 20 0 GBADMM CN(CC1CCN(C(=O)Cn2cncn2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571229043 953167695 /nfs/dbraw/zinc/16/76/95/953167695.db2.gz YUHGYVMNAJSSAS-UHFFFAOYSA-N -1 1 383.420 -0.377 20 0 GBADMM CN(CC1CCN(C(=O)Cn2cncn2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571229043 953167692 /nfs/dbraw/zinc/16/76/92/953167692.db2.gz YUHGYVMNAJSSAS-UHFFFAOYSA-N -1 1 383.420 -0.377 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571229048 953168058 /nfs/dbraw/zinc/16/80/58/953168058.db2.gz YXWBZHOEOCNCSQ-JTQLQIEISA-N -1 1 383.420 -0.254 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571229048 953168057 /nfs/dbraw/zinc/16/80/57/953168057.db2.gz YXWBZHOEOCNCSQ-JTQLQIEISA-N -1 1 383.420 -0.254 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)Cn3cncn3)C2)n1 ZINC001571229050 953167706 /nfs/dbraw/zinc/16/77/06/953167706.db2.gz YXXJUYWMWGNINO-LLVKDONJSA-N -1 1 383.420 -0.404 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)Cn3cncn3)C2)n1 ZINC001571229050 953167703 /nfs/dbraw/zinc/16/77/03/953167703.db2.gz YXXJUYWMWGNINO-LLVKDONJSA-N -1 1 383.420 -0.404 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cnn(CC)n3)C2)n1 ZINC001571229052 953167878 /nfs/dbraw/zinc/16/78/78/953167878.db2.gz ZATVOXMVNJRXGP-JTQLQIEISA-N -1 1 383.420 -0.161 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cnn(CC)n3)C2)n1 ZINC001571229052 953167876 /nfs/dbraw/zinc/16/78/76/953167876.db2.gz ZATVOXMVNJRXGP-JTQLQIEISA-N -1 1 383.420 -0.161 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cnn(CC)n3)C2)n1 ZINC001571229060 953168070 /nfs/dbraw/zinc/16/80/70/953168070.db2.gz ZATVOXMVNJRXGP-SNVBAGLBSA-N -1 1 383.420 -0.161 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cnn(CC)n3)C2)n1 ZINC001571229060 953168068 /nfs/dbraw/zinc/16/80/68/953168068.db2.gz ZATVOXMVNJRXGP-SNVBAGLBSA-N -1 1 383.420 -0.161 20 0 GBADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cnn(C)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571229061 953167605 /nfs/dbraw/zinc/16/76/05/953167605.db2.gz ZAZSNEANLLCAHV-MGCOHNPYSA-N -1 1 383.420 -0.032 20 0 GBADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cnn(C)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571229061 953167603 /nfs/dbraw/zinc/16/76/03/953167603.db2.gz ZAZSNEANLLCAHV-MGCOHNPYSA-N -1 1 383.420 -0.032 20 0 GBADMM CN(C(=O)c1cnn(C)c1N)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571229098 953168627 /nfs/dbraw/zinc/16/86/27/953168627.db2.gz ZYGPVLSMTGNJQF-UHFFFAOYSA-N -1 1 383.420 -0.287 20 0 GBADMM CN(C(=O)c1cnn(C)c1N)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571229098 953168624 /nfs/dbraw/zinc/16/86/24/953168624.db2.gz ZYGPVLSMTGNJQF-UHFFFAOYSA-N -1 1 383.420 -0.287 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)n1 ZINC001571229174 953168486 /nfs/dbraw/zinc/16/84/86/953168486.db2.gz AGCSQSROZLWIKI-ZYHUDNBSSA-N -1 1 383.420 -0.237 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)n1 ZINC001571229174 953168484 /nfs/dbraw/zinc/16/84/84/953168484.db2.gz AGCSQSROZLWIKI-ZYHUDNBSSA-N -1 1 383.420 -0.237 20 0 GBADMM Cn1cnc(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571229189 953168725 /nfs/dbraw/zinc/16/87/25/953168725.db2.gz APXKIHXSENIGSI-LLVKDONJSA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1cnc(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571229189 953168723 /nfs/dbraw/zinc/16/87/23/953168723.db2.gz APXKIHXSENIGSI-LLVKDONJSA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1cnc(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571229190 953168681 /nfs/dbraw/zinc/16/86/81/953168681.db2.gz APXKIHXSENIGSI-NSHDSACASA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1cnc(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571229190 953168680 /nfs/dbraw/zinc/16/86/80/953168680.db2.gz APXKIHXSENIGSI-NSHDSACASA-N -1 1 383.420 -0.036 20 0 GBADMM Cc1nnc(CC(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)[nH]1 ZINC001571229212 953168760 /nfs/dbraw/zinc/16/87/60/953168760.db2.gz AZIIKOMGCVDSDG-UHFFFAOYSA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1nnc(CC(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)[nH]1 ZINC001571229212 953168758 /nfs/dbraw/zinc/16/87/58/953168758.db2.gz AZIIKOMGCVDSDG-UHFFFAOYSA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2N)n1 ZINC001571229272 953168667 /nfs/dbraw/zinc/16/86/67/953168667.db2.gz BNNQIIJETVSOMH-JTQLQIEISA-N -1 1 383.420 -0.320 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2N)n1 ZINC001571229272 953168666 /nfs/dbraw/zinc/16/86/66/953168666.db2.gz BNNQIIJETVSOMH-JTQLQIEISA-N -1 1 383.420 -0.320 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2N)n1 ZINC001571229274 953168692 /nfs/dbraw/zinc/16/86/92/953168692.db2.gz BNNQIIJETVSOMH-SNVBAGLBSA-N -1 1 383.420 -0.320 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2N)n1 ZINC001571229274 953168691 /nfs/dbraw/zinc/16/86/91/953168691.db2.gz BNNQIIJETVSOMH-SNVBAGLBSA-N -1 1 383.420 -0.320 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)c3cnn(C)c3N)C2)n1 ZINC001571229287 953168505 /nfs/dbraw/zinc/16/85/05/953168505.db2.gz BWNUIQXBEVJBAV-MGCOHNPYSA-N -1 1 383.420 -0.099 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)c3cnn(C)c3N)C2)n1 ZINC001571229287 953168503 /nfs/dbraw/zinc/16/85/03/953168503.db2.gz BWNUIQXBEVJBAV-MGCOHNPYSA-N -1 1 383.420 -0.099 20 0 GBADMM Cn1cc(CCC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571229343 953169121 /nfs/dbraw/zinc/16/91/21/953169121.db2.gz CLRFNSQFQCJENL-LLVKDONJSA-N -1 1 383.420 -0.322 20 0 GBADMM Cn1cc(CCC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571229343 953169118 /nfs/dbraw/zinc/16/91/18/953169118.db2.gz CLRFNSQFQCJENL-LLVKDONJSA-N -1 1 383.420 -0.322 20 0 GBADMM Cn1cc(CCC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571229344 953169436 /nfs/dbraw/zinc/16/94/36/953169436.db2.gz CLRFNSQFQCJENL-NSHDSACASA-N -1 1 383.420 -0.322 20 0 GBADMM Cn1cc(CCC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571229344 953169433 /nfs/dbraw/zinc/16/94/33/953169433.db2.gz CLRFNSQFQCJENL-NSHDSACASA-N -1 1 383.420 -0.322 20 0 GBADMM O=C(CCn1ccnn1)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571229375 953169007 /nfs/dbraw/zinc/16/90/07/953169007.db2.gz DAGNNRTXRBYWPA-GFCCVEGCSA-N -1 1 383.420 -0.011 20 0 GBADMM O=C(CCn1ccnn1)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571229375 953169003 /nfs/dbraw/zinc/16/90/03/953169003.db2.gz DAGNNRTXRBYWPA-GFCCVEGCSA-N -1 1 383.420 -0.011 20 0 GBADMM O=C(CCn1ccnn1)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571229376 953169197 /nfs/dbraw/zinc/16/91/97/953169197.db2.gz DAGNNRTXRBYWPA-LBPRGKRZSA-N -1 1 383.420 -0.011 20 0 GBADMM O=C(CCn1ccnn1)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571229376 953169195 /nfs/dbraw/zinc/16/91/95/953169195.db2.gz DAGNNRTXRBYWPA-LBPRGKRZSA-N -1 1 383.420 -0.011 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571229402 953169455 /nfs/dbraw/zinc/16/94/55/953169455.db2.gz DKWRKTCUSPBTQV-LLVKDONJSA-N -1 1 383.420 -0.439 20 0 GBADMM Cn1cnc(C(=O)N2CCC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571229403 953169160 /nfs/dbraw/zinc/16/91/60/953169160.db2.gz DKWRKTCUSPBTQV-NSHDSACASA-N -1 1 383.420 -0.439 20 0 GBADMM Cn1cc(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571229423 953169901 /nfs/dbraw/zinc/16/99/01/953169901.db2.gz DWVXNULHBFXPDQ-LLVKDONJSA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1cc(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571229423 953169899 /nfs/dbraw/zinc/16/98/99/953169899.db2.gz DWVXNULHBFXPDQ-LLVKDONJSA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1cc(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571229424 953170004 /nfs/dbraw/zinc/17/00/04/953170004.db2.gz DWVXNULHBFXPDQ-NSHDSACASA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1cc(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571229424 953170003 /nfs/dbraw/zinc/17/00/03/953170003.db2.gz DWVXNULHBFXPDQ-NSHDSACASA-N -1 1 383.420 -0.036 20 0 GBADMM C[C@H](NC(=O)c1cnn(C)n1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571229442 953169992 /nfs/dbraw/zinc/16/99/92/953169992.db2.gz FGKWXYLIQMCDEV-JTQLQIEISA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@H](NC(=O)c1cnn(C)n1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571229442 953169991 /nfs/dbraw/zinc/16/99/91/953169991.db2.gz FGKWXYLIQMCDEV-JTQLQIEISA-N -1 1 383.420 -0.180 20 0 GBADMM Cn1ncc(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1N ZINC001571229444 953169908 /nfs/dbraw/zinc/16/99/08/953169908.db2.gz FJLIZBIYEDFADA-JTQLQIEISA-N -1 1 383.420 -0.641 20 0 GBADMM Cn1ncc(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1N ZINC001571229445 953169969 /nfs/dbraw/zinc/16/99/69/953169969.db2.gz FJLIZBIYEDFADA-SNVBAGLBSA-N -1 1 383.420 -0.641 20 0 GBADMM Cc1nnc(CC(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571229448 953169843 /nfs/dbraw/zinc/16/98/43/953169843.db2.gz FPEUZHXMSHSNNN-UHFFFAOYSA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1nnc(CC(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001571229448 953169841 /nfs/dbraw/zinc/16/98/41/953169841.db2.gz FPEUZHXMSHSNNN-UHFFFAOYSA-N -1 1 383.420 -0.247 20 0 GBADMM C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571229460 953170157 /nfs/dbraw/zinc/17/01/57/953170157.db2.gz FVNAALVFGLGBDW-ZWNOBZJWSA-N -1 1 383.420 -0.323 20 0 GBADMM C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571229460 953170154 /nfs/dbraw/zinc/17/01/54/953170154.db2.gz FVNAALVFGLGBDW-ZWNOBZJWSA-N -1 1 383.420 -0.323 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571229477 953170097 /nfs/dbraw/zinc/17/00/97/953170097.db2.gz FZQGGGNRERHOAF-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571229477 953170095 /nfs/dbraw/zinc/17/00/95/953170095.db2.gz FZQGGGNRERHOAF-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3cnnn3C)CC[C@H]2C)n1 ZINC001571229484 953169945 /nfs/dbraw/zinc/16/99/45/953169945.db2.gz GCKAACUPJHZZNJ-GHMZBOCLSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3cnnn3C)CC[C@H]2C)n1 ZINC001571229484 953169944 /nfs/dbraw/zinc/16/99/44/953169944.db2.gz GCKAACUPJHZZNJ-GHMZBOCLSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cnnn3C)CC[C@H]2C)n1 ZINC001571229485 953169828 /nfs/dbraw/zinc/16/98/28/953169828.db2.gz GCKAACUPJHZZNJ-MNOVXSKESA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cnnn3C)CC[C@H]2C)n1 ZINC001571229485 953169825 /nfs/dbraw/zinc/16/98/25/953169825.db2.gz GCKAACUPJHZZNJ-MNOVXSKESA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cnnn3C)CC[C@@H]2C)n1 ZINC001571229486 953169784 /nfs/dbraw/zinc/16/97/84/953169784.db2.gz GCKAACUPJHZZNJ-QWRGUYRKSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cnnn3C)CC[C@@H]2C)n1 ZINC001571229486 953169782 /nfs/dbraw/zinc/16/97/82/953169782.db2.gz GCKAACUPJHZZNJ-QWRGUYRKSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3cnnn3C)CC[C@@H]2C)n1 ZINC001571229487 953170084 /nfs/dbraw/zinc/17/00/84/953170084.db2.gz GCKAACUPJHZZNJ-WDEREUQCSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3cnnn3C)CC[C@@H]2C)n1 ZINC001571229487 953170081 /nfs/dbraw/zinc/17/00/81/953170081.db2.gz GCKAACUPJHZZNJ-WDEREUQCSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N2CCC(N(C)c3cncc(-c4nn[n-]n4)n3)CC2)nnn1C ZINC001571229491 953169673 /nfs/dbraw/zinc/16/96/73/953169673.db2.gz GJFFWDBXKCUFTH-UHFFFAOYSA-N -1 1 383.420 -0.165 20 0 GBADMM Cc1c(C(=O)N2CCC(N(C)c3cncc(-c4nnn[n-]4)n3)CC2)nnn1C ZINC001571229491 953169670 /nfs/dbraw/zinc/16/96/70/953169670.db2.gz GJFFWDBXKCUFTH-UHFFFAOYSA-N -1 1 383.420 -0.165 20 0 GBADMM Cc1c(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)nnn1C ZINC001571229513 953170410 /nfs/dbraw/zinc/17/04/10/953170410.db2.gz HOHQBBQXLAHFIZ-GXSJLCMTSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)nnn1C ZINC001571229513 953170407 /nfs/dbraw/zinc/17/04/07/953170407.db2.gz HOHQBBQXLAHFIZ-GXSJLCMTSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)nnn1C ZINC001571229514 953170744 /nfs/dbraw/zinc/17/07/44/953170744.db2.gz HOHQBBQXLAHFIZ-KOLCDFICSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)nnn1C ZINC001571229514 953170742 /nfs/dbraw/zinc/17/07/42/953170742.db2.gz HOHQBBQXLAHFIZ-KOLCDFICSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)nnn1C ZINC001571229515 953170621 /nfs/dbraw/zinc/17/06/21/953170621.db2.gz HOHQBBQXLAHFIZ-MWLCHTKSSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)nnn1C ZINC001571229515 953170620 /nfs/dbraw/zinc/17/06/20/953170620.db2.gz HOHQBBQXLAHFIZ-MWLCHTKSSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)nnn1C ZINC001571229516 953170851 /nfs/dbraw/zinc/17/08/51/953170851.db2.gz HOHQBBQXLAHFIZ-ONGXEEELSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)nnn1C ZINC001571229516 953170847 /nfs/dbraw/zinc/17/08/47/953170847.db2.gz HOHQBBQXLAHFIZ-ONGXEEELSA-N -1 1 383.420 -0.119 20 0 GBADMM Cc1c(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)nnn1C ZINC001571229521 953170870 /nfs/dbraw/zinc/17/08/70/953170870.db2.gz HPTXOBHKNWBPFW-GXSJLCMTSA-N -1 1 383.420 -0.086 20 0 GBADMM Cc1c(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)nnn1C ZINC001571229521 953170866 /nfs/dbraw/zinc/17/08/66/953170866.db2.gz HPTXOBHKNWBPFW-GXSJLCMTSA-N -1 1 383.420 -0.086 20 0 GBADMM Cc1c(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)nnn1C ZINC001571229522 953170881 /nfs/dbraw/zinc/17/08/81/953170881.db2.gz HPTXOBHKNWBPFW-KOLCDFICSA-N -1 1 383.420 -0.086 20 0 GBADMM Cc1c(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)nnn1C ZINC001571229522 953170879 /nfs/dbraw/zinc/17/08/79/953170879.db2.gz HPTXOBHKNWBPFW-KOLCDFICSA-N -1 1 383.420 -0.086 20 0 GBADMM Cc1c(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)nnn1C ZINC001571229523 953170660 /nfs/dbraw/zinc/17/06/60/953170660.db2.gz HPTXOBHKNWBPFW-MWLCHTKSSA-N -1 1 383.420 -0.086 20 0 GBADMM Cc1c(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)nnn1C ZINC001571229523 953170658 /nfs/dbraw/zinc/17/06/58/953170658.db2.gz HPTXOBHKNWBPFW-MWLCHTKSSA-N -1 1 383.420 -0.086 20 0 GBADMM Cc1c(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)nnn1C ZINC001571229524 953170860 /nfs/dbraw/zinc/17/08/60/953170860.db2.gz HPTXOBHKNWBPFW-ONGXEEELSA-N -1 1 383.420 -0.086 20 0 GBADMM Cc1c(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)nnn1C ZINC001571229524 953170856 /nfs/dbraw/zinc/17/08/56/953170856.db2.gz HPTXOBHKNWBPFW-ONGXEEELSA-N -1 1 383.420 -0.086 20 0 GBADMM Cn1nncc1C(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571229528 953170809 /nfs/dbraw/zinc/17/08/09/953170809.db2.gz HRHFEMWGGIKCSM-LLVKDONJSA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1nncc1C(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571229528 953170806 /nfs/dbraw/zinc/17/08/06/953170806.db2.gz HRHFEMWGGIKCSM-LLVKDONJSA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1nncc1C(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571229529 953170549 /nfs/dbraw/zinc/17/05/49/953170549.db2.gz HRHFEMWGGIKCSM-NSHDSACASA-N -1 1 383.420 -0.036 20 0 GBADMM Cn1nncc1C(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571229529 953170546 /nfs/dbraw/zinc/17/05/46/953170546.db2.gz HRHFEMWGGIKCSM-NSHDSACASA-N -1 1 383.420 -0.036 20 0 GBADMM O=C(CCn1cncn1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571229536 953170798 /nfs/dbraw/zinc/17/07/98/953170798.db2.gz HWRUXEUFTZXVNW-GFCCVEGCSA-N -1 1 383.420 -0.011 20 0 GBADMM O=C(CCn1cncn1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571229536 953170795 /nfs/dbraw/zinc/17/07/95/953170795.db2.gz HWRUXEUFTZXVNW-GFCCVEGCSA-N -1 1 383.420 -0.011 20 0 GBADMM O=C(CCn1cncn1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571229537 953170694 /nfs/dbraw/zinc/17/06/94/953170694.db2.gz HWRUXEUFTZXVNW-LBPRGKRZSA-N -1 1 383.420 -0.011 20 0 GBADMM O=C(CCn1cncn1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571229537 953170690 /nfs/dbraw/zinc/17/06/90/953170690.db2.gz HWRUXEUFTZXVNW-LBPRGKRZSA-N -1 1 383.420 -0.011 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)c3ncn(C)n3)C2)n1 ZINC001571229568 953170616 /nfs/dbraw/zinc/17/06/16/953170616.db2.gz IVRSJTDVTMBASD-LLVKDONJSA-N -1 1 383.420 -0.165 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)c3ncn(C)n3)C2)n1 ZINC001571229568 953170615 /nfs/dbraw/zinc/17/06/15/953170615.db2.gz IVRSJTDVTMBASD-LLVKDONJSA-N -1 1 383.420 -0.165 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)c3ncn(C)n3)C2)n1 ZINC001571229569 953170732 /nfs/dbraw/zinc/17/07/32/953170732.db2.gz IVRSJTDVTMBASD-NSHDSACASA-N -1 1 383.420 -0.165 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)c3ncn(C)n3)C2)n1 ZINC001571229569 953170730 /nfs/dbraw/zinc/17/07/30/953170730.db2.gz IVRSJTDVTMBASD-NSHDSACASA-N -1 1 383.420 -0.165 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571229679 953171400 /nfs/dbraw/zinc/17/14/00/953171400.db2.gz JMIFNEZWQRZVFM-GXSJLCMTSA-N -1 1 383.420 -0.025 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571229680 953171653 /nfs/dbraw/zinc/17/16/53/953171653.db2.gz JMIFNEZWQRZVFM-KOLCDFICSA-N -1 1 383.420 -0.025 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571229681 953171459 /nfs/dbraw/zinc/17/14/59/953171459.db2.gz JMIFNEZWQRZVFM-MWLCHTKSSA-N -1 1 383.420 -0.025 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571229682 953171321 /nfs/dbraw/zinc/17/13/21/953171321.db2.gz JMIFNEZWQRZVFM-ONGXEEELSA-N -1 1 383.420 -0.025 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571229685 953171492 /nfs/dbraw/zinc/17/14/92/953171492.db2.gz JSLDPQOYWZUXPB-INIZCTEOSA-N -1 1 383.420 -0.024 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571229686 953171451 /nfs/dbraw/zinc/17/14/51/953171451.db2.gz JSLDPQOYWZUXPB-MRXNPFEDSA-N -1 1 383.420 -0.024 20 0 GBADMM C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571229707 953171415 /nfs/dbraw/zinc/17/14/15/953171415.db2.gz KLJPAIBVBVLTQV-ZYHUDNBSSA-N -1 1 383.420 -0.323 20 0 GBADMM C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571229707 953171413 /nfs/dbraw/zinc/17/14/13/953171413.db2.gz KLJPAIBVBVLTQV-ZYHUDNBSSA-N -1 1 383.420 -0.323 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)Cn3cncn3)C2)n1 ZINC001571229709 953171534 /nfs/dbraw/zinc/17/15/34/953171534.db2.gz KOGVAAUFEQWTEC-GFCCVEGCSA-N -1 1 383.420 -0.458 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)Cn3cncn3)C2)n1 ZINC001571229709 953171530 /nfs/dbraw/zinc/17/15/30/953171530.db2.gz KOGVAAUFEQWTEC-GFCCVEGCSA-N -1 1 383.420 -0.458 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)Cn3cncn3)C2)n1 ZINC001571229710 953171704 /nfs/dbraw/zinc/17/17/04/953171704.db2.gz KOGVAAUFEQWTEC-LBPRGKRZSA-N -1 1 383.420 -0.458 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)Cn3cncn3)C2)n1 ZINC001571229710 953171702 /nfs/dbraw/zinc/17/17/02/953171702.db2.gz KOGVAAUFEQWTEC-LBPRGKRZSA-N -1 1 383.420 -0.458 20 0 GBADMM Cn1ncc(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)c1N ZINC001571229733 953171569 /nfs/dbraw/zinc/17/15/69/953171569.db2.gz LLBJEXGKEDQSJM-UHFFFAOYSA-N -1 1 383.420 -0.453 20 0 GBADMM Cc1c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)nnn1C ZINC001571229737 953171541 /nfs/dbraw/zinc/17/15/41/953171541.db2.gz LQYRRCMEACBKFK-LLVKDONJSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)nnn1C ZINC001571229737 953171540 /nfs/dbraw/zinc/17/15/40/953171540.db2.gz LQYRRCMEACBKFK-LLVKDONJSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)nnn1C ZINC001571229738 953171188 /nfs/dbraw/zinc/17/11/88/953171188.db2.gz LQYRRCMEACBKFK-NSHDSACASA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)nnn1C ZINC001571229738 953171185 /nfs/dbraw/zinc/17/11/85/953171185.db2.gz LQYRRCMEACBKFK-NSHDSACASA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)c3cnnn3C)CC2)n1 ZINC001571229739 953171524 /nfs/dbraw/zinc/17/15/24/953171524.db2.gz LRGBGGLLVJARCT-UHFFFAOYSA-N -1 1 383.420 -0.260 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)c3cnnn3C)CC2)n1 ZINC001571229739 953171522 /nfs/dbraw/zinc/17/15/22/953171522.db2.gz LRGBGGLLVJARCT-UHFFFAOYSA-N -1 1 383.420 -0.260 20 0 GBADMM Cc1c(C(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)nnn1C ZINC001571229795 953172441 /nfs/dbraw/zinc/17/24/41/953172441.db2.gz NSGQUWGERGRADR-UHFFFAOYSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1c(C(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)nnn1C ZINC001571229795 953172438 /nfs/dbraw/zinc/17/24/38/953172438.db2.gz NSGQUWGERGRADR-UHFFFAOYSA-N -1 1 383.420 -0.117 20 0 GBADMM Cn1ncc(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1N ZINC001571229811 953171938 /nfs/dbraw/zinc/17/19/38/953171938.db2.gz OILYNWJBEBIYNF-NXEZZACHSA-N -1 1 383.420 -0.017 20 0 GBADMM Cn1ncc(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1N ZINC001571229811 953171934 /nfs/dbraw/zinc/17/19/34/953171934.db2.gz OILYNWJBEBIYNF-NXEZZACHSA-N -1 1 383.420 -0.017 20 0 GBADMM Cn1ncc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1N ZINC001571229812 953172361 /nfs/dbraw/zinc/17/23/61/953172361.db2.gz OILYNWJBEBIYNF-UWVGGRQHSA-N -1 1 383.420 -0.017 20 0 GBADMM Cn1ncc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1N ZINC001571229812 953172359 /nfs/dbraw/zinc/17/23/59/953172359.db2.gz OILYNWJBEBIYNF-UWVGGRQHSA-N -1 1 383.420 -0.017 20 0 GBADMM Cn1ncc(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1N ZINC001571229813 953172306 /nfs/dbraw/zinc/17/23/06/953172306.db2.gz OILYNWJBEBIYNF-VHSXEESVSA-N -1 1 383.420 -0.017 20 0 GBADMM Cn1ncc(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1N ZINC001571229813 953172304 /nfs/dbraw/zinc/17/23/04/953172304.db2.gz OILYNWJBEBIYNF-VHSXEESVSA-N -1 1 383.420 -0.017 20 0 GBADMM Cn1ncc(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1N ZINC001571229814 953172342 /nfs/dbraw/zinc/17/23/42/953172342.db2.gz OILYNWJBEBIYNF-ZJUUUORDSA-N -1 1 383.420 -0.017 20 0 GBADMM Cn1ncc(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1N ZINC001571229814 953172340 /nfs/dbraw/zinc/17/23/40/953172340.db2.gz OILYNWJBEBIYNF-ZJUUUORDSA-N -1 1 383.420 -0.017 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)c2cn(C)nn2)n1 ZINC001571229817 953172149 /nfs/dbraw/zinc/17/21/49/953172149.db2.gz OPEKSAPSNRDQJJ-LLVKDONJSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)c2cn(C)nn2)n1 ZINC001571229817 953172147 /nfs/dbraw/zinc/17/21/47/953172147.db2.gz OPEKSAPSNRDQJJ-LLVKDONJSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)c2cn(C)nn2)n1 ZINC001571229818 953172093 /nfs/dbraw/zinc/17/20/93/953172093.db2.gz OPEKSAPSNRDQJJ-NSHDSACASA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)c2cn(C)nn2)n1 ZINC001571229818 953172091 /nfs/dbraw/zinc/17/20/91/953172091.db2.gz OPEKSAPSNRDQJJ-NSHDSACASA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571229827 953172157 /nfs/dbraw/zinc/17/21/57/953172157.db2.gz ORSRYCFEKQEARU-LLVKDONJSA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571229827 953172155 /nfs/dbraw/zinc/17/21/55/953172155.db2.gz ORSRYCFEKQEARU-LLVKDONJSA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571229828 953172377 /nfs/dbraw/zinc/17/23/77/953172377.db2.gz ORSRYCFEKQEARU-NSHDSACASA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571229828 953172375 /nfs/dbraw/zinc/17/23/75/953172375.db2.gz ORSRYCFEKQEARU-NSHDSACASA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001571229851 953172697 /nfs/dbraw/zinc/17/26/97/953172697.db2.gz PIUWCLJCXXLRCH-LLVKDONJSA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001571229852 953172765 /nfs/dbraw/zinc/17/27/65/953172765.db2.gz PIUWCLJCXXLRCH-NSHDSACASA-N -1 1 383.420 -0.247 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]2C)n1 ZINC001571229853 953172979 /nfs/dbraw/zinc/17/29/79/953172979.db2.gz PJKWTBVDVQJXAB-CMPLNLGQSA-N -1 1 383.420 -0.094 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]2C)n1 ZINC001571229853 953172976 /nfs/dbraw/zinc/17/29/76/953172976.db2.gz PJKWTBVDVQJXAB-CMPLNLGQSA-N -1 1 383.420 -0.094 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cn3cncn3)C[C@@H]2C)n1 ZINC001571229854 953172830 /nfs/dbraw/zinc/17/28/30/953172830.db2.gz PJKWTBVDVQJXAB-JQWIXIFHSA-N -1 1 383.420 -0.094 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cn3cncn3)C[C@@H]2C)n1 ZINC001571229854 953172828 /nfs/dbraw/zinc/17/28/28/953172828.db2.gz PJKWTBVDVQJXAB-JQWIXIFHSA-N -1 1 383.420 -0.094 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]2C)n1 ZINC001571229855 953172667 /nfs/dbraw/zinc/17/26/67/953172667.db2.gz PJKWTBVDVQJXAB-PWSUYJOCSA-N -1 1 383.420 -0.094 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]2C)n1 ZINC001571229855 953172666 /nfs/dbraw/zinc/17/26/66/953172666.db2.gz PJKWTBVDVQJXAB-PWSUYJOCSA-N -1 1 383.420 -0.094 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cn3cncn3)C[C@H]2C)n1 ZINC001571229856 953172692 /nfs/dbraw/zinc/17/26/92/953172692.db2.gz PJKWTBVDVQJXAB-ZYHUDNBSSA-N -1 1 383.420 -0.094 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cn3cncn3)C[C@H]2C)n1 ZINC001571229856 953172691 /nfs/dbraw/zinc/17/26/91/953172691.db2.gz PJKWTBVDVQJXAB-ZYHUDNBSSA-N -1 1 383.420 -0.094 20 0 GBADMM Cn1ncc(C(=O)N2CCCC[C@@H]2CCNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571229985 953173129 /nfs/dbraw/zinc/17/31/29/953173129.db2.gz QHGTZGKUJLALGF-LLVKDONJSA-N -1 1 383.420 -0.296 20 0 GBADMM Cn1ncc(C(=O)N2CCCC[C@H]2CCNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571229986 953172672 /nfs/dbraw/zinc/17/26/72/953172672.db2.gz QHGTZGKUJLALGF-NSHDSACASA-N -1 1 383.420 -0.296 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001571229998 953172731 /nfs/dbraw/zinc/17/27/31/953172731.db2.gz QNVAHQRDCMQLRM-GFCCVEGCSA-N -1 1 383.420 -0.316 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001571229998 953172727 /nfs/dbraw/zinc/17/27/27/953172727.db2.gz QNVAHQRDCMQLRM-GFCCVEGCSA-N -1 1 383.420 -0.316 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001571229999 953173188 /nfs/dbraw/zinc/17/31/88/953173188.db2.gz QNVAHQRDCMQLRM-LBPRGKRZSA-N -1 1 383.420 -0.316 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001571229999 953173186 /nfs/dbraw/zinc/17/31/86/953173186.db2.gz QNVAHQRDCMQLRM-LBPRGKRZSA-N -1 1 383.420 -0.316 20 0 GBADMM Cc1c(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)nnn1C ZINC001571230018 953173809 /nfs/dbraw/zinc/17/38/09/953173809.db2.gz QXXMIANKYHQRIB-LLVKDONJSA-N -1 1 383.420 -0.199 20 0 GBADMM Cc1c(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)nnn1C ZINC001571230018 953173808 /nfs/dbraw/zinc/17/38/08/953173808.db2.gz QXXMIANKYHQRIB-LLVKDONJSA-N -1 1 383.420 -0.199 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)nnn1C ZINC001571230019 953173875 /nfs/dbraw/zinc/17/38/75/953173875.db2.gz QXXMIANKYHQRIB-NSHDSACASA-N -1 1 383.420 -0.199 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)nnn1C ZINC001571230019 953173872 /nfs/dbraw/zinc/17/38/72/953173872.db2.gz QXXMIANKYHQRIB-NSHDSACASA-N -1 1 383.420 -0.199 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3cnn(C)c3N)C2)n1 ZINC001571230024 953173786 /nfs/dbraw/zinc/17/37/86/953173786.db2.gz QZZWCAFNZAMIIZ-SNVBAGLBSA-N -1 1 383.420 -0.320 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3cnn(C)c3N)C2)n1 ZINC001571230024 953173785 /nfs/dbraw/zinc/17/37/85/953173785.db2.gz QZZWCAFNZAMIIZ-SNVBAGLBSA-N -1 1 383.420 -0.320 20 0 GBADMM O=C(CCn1cncn1)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571230051 953173721 /nfs/dbraw/zinc/17/37/21/953173721.db2.gz RMZNFQHXJLTODZ-UHFFFAOYSA-N -1 1 383.420 -0.011 20 0 GBADMM O=C(CCn1cncn1)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571230051 953173717 /nfs/dbraw/zinc/17/37/17/953173717.db2.gz RMZNFQHXJLTODZ-UHFFFAOYSA-N -1 1 383.420 -0.011 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571230058 953173777 /nfs/dbraw/zinc/17/37/77/953173777.db2.gz RQFUQLMWUPUQTB-LLVKDONJSA-N -1 1 383.420 -0.024 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571230058 953173776 /nfs/dbraw/zinc/17/37/76/953173776.db2.gz RQFUQLMWUPUQTB-LLVKDONJSA-N -1 1 383.420 -0.024 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571230059 953173499 /nfs/dbraw/zinc/17/34/99/953173499.db2.gz RQFUQLMWUPUQTB-NSHDSACASA-N -1 1 383.420 -0.024 20 0 GBADMM Cc1nnc(CC(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571230059 953173497 /nfs/dbraw/zinc/17/34/97/953173497.db2.gz RQFUQLMWUPUQTB-NSHDSACASA-N -1 1 383.420 -0.024 20 0 GBADMM Cc1c(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)nnn1C ZINC001571230101 953173970 /nfs/dbraw/zinc/17/39/70/953173970.db2.gz RSDHSSQGSKYNDK-LLVKDONJSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1c(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)nnn1C ZINC001571230101 953173966 /nfs/dbraw/zinc/17/39/66/953173966.db2.gz RSDHSSQGSKYNDK-LLVKDONJSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)nnn1C ZINC001571230102 953173895 /nfs/dbraw/zinc/17/38/95/953173895.db2.gz RSDHSSQGSKYNDK-NSHDSACASA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)nnn1C ZINC001571230102 953173893 /nfs/dbraw/zinc/17/38/93/953173893.db2.gz RSDHSSQGSKYNDK-NSHDSACASA-N -1 1 383.420 -0.117 20 0 GBADMM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571230149 953174708 /nfs/dbraw/zinc/17/47/08/953174708.db2.gz SNULJPCIBOHBMA-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571230149 953174707 /nfs/dbraw/zinc/17/47/07/953174707.db2.gz SNULJPCIBOHBMA-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cnnn3C)C(C)(C)C2)n1 ZINC001571230150 953174653 /nfs/dbraw/zinc/17/46/53/953174653.db2.gz SOMPSCQYPWGKFW-GFCCVEGCSA-N -1 1 383.420 -0.262 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cnnn3C)C(C)(C)C2)n1 ZINC001571230150 953174651 /nfs/dbraw/zinc/17/46/51/953174651.db2.gz SOMPSCQYPWGKFW-GFCCVEGCSA-N -1 1 383.420 -0.262 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3cnnn3C)C(C)(C)C2)n1 ZINC001571230151 953174636 /nfs/dbraw/zinc/17/46/36/953174636.db2.gz SOMPSCQYPWGKFW-LBPRGKRZSA-N -1 1 383.420 -0.262 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3cnnn3C)C(C)(C)C2)n1 ZINC001571230151 953174635 /nfs/dbraw/zinc/17/46/35/953174635.db2.gz SOMPSCQYPWGKFW-LBPRGKRZSA-N -1 1 383.420 -0.262 20 0 GBADMM Cn1cc(CCC(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571230174 953174624 /nfs/dbraw/zinc/17/46/24/953174624.db2.gz SZWWOLUOLKBENQ-GFCCVEGCSA-N -1 1 383.420 -0.179 20 0 GBADMM Cn1cc(CCC(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571230174 953174622 /nfs/dbraw/zinc/17/46/22/953174622.db2.gz SZWWOLUOLKBENQ-GFCCVEGCSA-N -1 1 383.420 -0.179 20 0 GBADMM Cc1nn[nH]c1C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571230197 953174601 /nfs/dbraw/zinc/17/46/01/953174601.db2.gz UAYBOHLKRCLJDC-LDYMZIIASA-N -1 1 383.420 -0.106 20 0 GBADMM Cn1cnc(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571230304 953176114 /nfs/dbraw/zinc/17/61/14/953176114.db2.gz UKADMTSUASTICK-XYPYZODXSA-N -1 1 383.420 -0.392 20 0 GBADMM Cn1cc(CCC(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571230307 953176328 /nfs/dbraw/zinc/17/63/28/953176328.db2.gz UKUGMJCXEGBDFP-LLVKDONJSA-N -1 1 383.420 -0.757 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(NC(=O)c3cn(C)nn3)CC2)n1 ZINC001571230338 953176380 /nfs/dbraw/zinc/17/63/80/953176380.db2.gz VRNMOOAMICRDGH-UHFFFAOYSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(NC(=O)c3cn(C)nn3)CC2)n1 ZINC001571230338 953176379 /nfs/dbraw/zinc/17/63/79/953176379.db2.gz VRNMOOAMICRDGH-UHFFFAOYSA-N -1 1 383.420 -0.117 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571230359 953176023 /nfs/dbraw/zinc/17/60/23/953176023.db2.gz WGZGOPVZPIIPDJ-NXEZZACHSA-N -1 1 383.420 -0.207 20 0 GBADMM C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571230359 953176020 /nfs/dbraw/zinc/17/60/20/953176020.db2.gz WGZGOPVZPIIPDJ-NXEZZACHSA-N -1 1 383.420 -0.207 20 0 GBADMM O=C(CCn1ccnn1)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571230363 953175789 /nfs/dbraw/zinc/17/57/89/953175789.db2.gz WMLIMBNLZXKJQN-GFCCVEGCSA-N -1 1 383.420 -0.589 20 0 GBADMM O=C(CCn1ccnn1)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571230364 953175919 /nfs/dbraw/zinc/17/59/19/953175919.db2.gz WMLIMBNLZXKJQN-LBPRGKRZSA-N -1 1 383.420 -0.589 20 0 GBADMM Cc1c(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)nnn1C ZINC001571230367 953176383 /nfs/dbraw/zinc/17/63/83/953176383.db2.gz WMYJHPNCJOJKST-LLVKDONJSA-N -1 1 383.420 -0.165 20 0 GBADMM Cc1c(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)nnn1C ZINC001571230368 953175888 /nfs/dbraw/zinc/17/58/88/953175888.db2.gz WMYJHPNCJOJKST-NSHDSACASA-N -1 1 383.420 -0.165 20 0 GBADMM Cn1ncc(CCC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n1 ZINC001571230512 953177709 /nfs/dbraw/zinc/17/77/09/953177709.db2.gz XFIBVAKTOPERBP-GFCCVEGCSA-N -1 1 383.420 -0.179 20 0 GBADMM Cn1ncc(CCC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n1 ZINC001571230512 953177706 /nfs/dbraw/zinc/17/77/06/953177706.db2.gz XFIBVAKTOPERBP-GFCCVEGCSA-N -1 1 383.420 -0.179 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571230523 953177685 /nfs/dbraw/zinc/17/76/85/953177685.db2.gz XIQIUCLGGJTZDR-LLVKDONJSA-N -1 1 383.420 -0.024 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571230523 953177682 /nfs/dbraw/zinc/17/76/82/953177682.db2.gz XIQIUCLGGJTZDR-LLVKDONJSA-N -1 1 383.420 -0.024 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571230525 953177422 /nfs/dbraw/zinc/17/74/22/953177422.db2.gz XIQIUCLGGJTZDR-NSHDSACASA-N -1 1 383.420 -0.024 20 0 GBADMM Cc1nnc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571230525 953177419 /nfs/dbraw/zinc/17/74/19/953177419.db2.gz XIQIUCLGGJTZDR-NSHDSACASA-N -1 1 383.420 -0.024 20 0 GBADMM C[C@H](NC(=O)c1ncn(C)n1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571230541 953177900 /nfs/dbraw/zinc/17/79/00/953177900.db2.gz XMFBPOFGMMXCQC-JTQLQIEISA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@H](NC(=O)c1ncn(C)n1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571230541 953177896 /nfs/dbraw/zinc/17/78/96/953177896.db2.gz XMFBPOFGMMXCQC-JTQLQIEISA-N -1 1 383.420 -0.180 20 0 GBADMM Cc1nnc(CC(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC001571230551 953178081 /nfs/dbraw/zinc/17/80/81/953178081.db2.gz XMHWYEJBAZUQCK-UHFFFAOYSA-N -1 1 383.420 -0.024 20 0 GBADMM C[C@H](NC(=O)c1cnnn1C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571230583 953178447 /nfs/dbraw/zinc/17/84/47/953178447.db2.gz YAXCIOIINQWHHU-JTQLQIEISA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@H](NC(=O)c1cnnn1C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571230583 953178443 /nfs/dbraw/zinc/17/84/43/953178443.db2.gz YAXCIOIINQWHHU-JTQLQIEISA-N -1 1 383.420 -0.180 20 0 GBADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)c1cnn(C)c1N ZINC001571230584 953177971 /nfs/dbraw/zinc/17/79/71/953177971.db2.gz YBWMAGBDKVCPKT-NXEZZACHSA-N -1 1 383.420 -0.525 20 0 GBADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)c1cnn(C)c1N ZINC001571230584 953177966 /nfs/dbraw/zinc/17/79/66/953177966.db2.gz YBWMAGBDKVCPKT-NXEZZACHSA-N -1 1 383.420 -0.525 20 0 GBADMM O=C(Cn1cncn1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571230588 953178095 /nfs/dbraw/zinc/17/80/95/953178095.db2.gz YFQOTECFNRDXFS-UHFFFAOYSA-N -1 1 383.420 -0.011 20 0 GBADMM O=C(Cn1cncn1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571230588 953178090 /nfs/dbraw/zinc/17/80/90/953178090.db2.gz YFQOTECFNRDXFS-UHFFFAOYSA-N -1 1 383.420 -0.011 20 0 GBADMM Cc1c(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nnn1C ZINC001571230656 953178914 /nfs/dbraw/zinc/17/89/14/953178914.db2.gz ZJSZUOSLHNLCOA-WDEREUQCSA-N -1 1 383.420 -0.474 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(NC(=O)c3ncn(C)n3)CC2)n1 ZINC001571230662 953178733 /nfs/dbraw/zinc/17/87/33/953178733.db2.gz ZKGUSQUXACOZSB-UHFFFAOYSA-N -1 1 383.420 -0.117 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(NC(=O)c3ncn(C)n3)CC2)n1 ZINC001571230662 953178731 /nfs/dbraw/zinc/17/87/31/953178731.db2.gz ZKGUSQUXACOZSB-UHFFFAOYSA-N -1 1 383.420 -0.117 20 0 GBADMM Cn1ncc(CCC(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571230708 953179371 /nfs/dbraw/zinc/17/93/71/953179371.db2.gz ZUUOMUXXCYINCH-UHFFFAOYSA-N -1 1 383.420 -0.757 20 0 GBADMM Cc1nsc(N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571233102 953190967 /nfs/dbraw/zinc/19/09/67/953190967.db2.gz OLCPUUSKAAEUER-VIFPVBQESA-N -1 1 383.459 -0.311 20 0 GBADMM O=C(N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1CNC(=O)N1 ZINC001571234532 953203097 /nfs/dbraw/zinc/20/30/97/953203097.db2.gz AWUWUHUJUQLQFZ-PHDIDXHHSA-N -1 1 383.825 -0.647 20 0 GBADMM O=C(N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1CNC(=O)N1 ZINC001571234533 953202924 /nfs/dbraw/zinc/20/29/24/953202924.db2.gz AWUWUHUJUQLQFZ-RITPCOANSA-N -1 1 383.825 -0.647 20 0 GBADMM COc1coc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571234585 953203864 /nfs/dbraw/zinc/20/38/64/953203864.db2.gz CLQCEOXTMMDETB-KYZUINATSA-N -1 1 384.356 -0.009 20 0 GBADMM COc1coc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571234585 953203862 /nfs/dbraw/zinc/20/38/62/953203862.db2.gz CLQCEOXTMMDETB-KYZUINATSA-N -1 1 384.356 -0.009 20 0 GBADMM COc1coc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1=O ZINC001571234909 953207149 /nfs/dbraw/zinc/20/71/49/953207149.db2.gz MLVAEGXGNAJGFO-SECBINFHSA-N -1 1 384.356 -0.055 20 0 GBADMM COc1coc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1=O ZINC001571234909 953207145 /nfs/dbraw/zinc/20/71/45/953207145.db2.gz MLVAEGXGNAJGFO-SECBINFHSA-N -1 1 384.356 -0.055 20 0 GBADMM CNC(=O)c1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1C ZINC001571234920 953206945 /nfs/dbraw/zinc/20/69/45/953206945.db2.gz NADNJWALWPIBHH-UHFFFAOYSA-N -1 1 384.356 -0.564 20 0 GBADMM CN(C)C(=O)c1cccc(NC(=O)Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c1 ZINC001571234930 953207351 /nfs/dbraw/zinc/20/73/51/953207351.db2.gz NFHOMZKCXQNHRP-UHFFFAOYSA-N -1 1 384.356 -0.531 20 0 GBADMM COc1coc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1=O ZINC001571234968 953208027 /nfs/dbraw/zinc/20/80/27/953208027.db2.gz OFTOFZCCIQKOKP-UHFFFAOYSA-N -1 1 384.356 -0.419 20 0 GBADMM COc1coc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1=O ZINC001571234968 953208025 /nfs/dbraw/zinc/20/80/25/953208025.db2.gz OFTOFZCCIQKOKP-UHFFFAOYSA-N -1 1 384.356 -0.419 20 0 GBADMM CNC(=O)c1ccc(C)c(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001571234989 953207798 /nfs/dbraw/zinc/20/77/98/953207798.db2.gz OTNQJMHDFASRPK-UHFFFAOYSA-N -1 1 384.356 -0.564 20 0 GBADMM O=C(c1cnc[nH]c1=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571235009 953208119 /nfs/dbraw/zinc/20/81/19/953208119.db2.gz PMZZGDYVTKGVHG-SECBINFHSA-N -1 1 384.360 -0.895 20 0 GBADMM O=C(c1cnc[nH]c1=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571235010 953207884 /nfs/dbraw/zinc/20/78/84/953207884.db2.gz PMZZGDYVTKGVHG-VIFPVBQESA-N -1 1 384.360 -0.895 20 0 GBADMM CC(=O)N(C)c1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571235087 953208419 /nfs/dbraw/zinc/20/84/19/953208419.db2.gz SESUXKYZYSFNGM-UHFFFAOYSA-N -1 1 384.356 -0.250 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571235153 953209337 /nfs/dbraw/zinc/20/93/37/953209337.db2.gz VEBHNAQVFGCWED-JTQLQIEISA-N -1 1 384.360 -0.895 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571235153 953209335 /nfs/dbraw/zinc/20/93/35/953209335.db2.gz VEBHNAQVFGCWED-JTQLQIEISA-N -1 1 384.360 -0.895 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571235154 953209710 /nfs/dbraw/zinc/20/97/10/953209710.db2.gz VEBHNAQVFGCWED-SNVBAGLBSA-N -1 1 384.360 -0.895 20 0 GBADMM O=C(c1cn[nH]c(=O)c1)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571235154 953209708 /nfs/dbraw/zinc/20/97/08/953209708.db2.gz VEBHNAQVFGCWED-SNVBAGLBSA-N -1 1 384.360 -0.895 20 0 GBADMM O=C([C@@H]1CNC(=O)N1)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571235225 953210044 /nfs/dbraw/zinc/21/00/44/953210044.db2.gz XPLKVKHYKREXJW-LURJTMIESA-N -1 1 383.825 -0.693 20 0 GBADMM O=C([C@@H]1CNC(=O)N1)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571235225 953210039 /nfs/dbraw/zinc/21/00/39/953210039.db2.gz XPLKVKHYKREXJW-LURJTMIESA-N -1 1 383.825 -0.693 20 0 GBADMM O=C([C@H]1CNC(=O)N1)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571235226 953210733 /nfs/dbraw/zinc/21/07/33/953210733.db2.gz XPLKVKHYKREXJW-ZCFIWIBFSA-N -1 1 383.825 -0.693 20 0 GBADMM O=C([C@H]1CNC(=O)N1)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571235226 953210731 /nfs/dbraw/zinc/21/07/31/953210731.db2.gz XPLKVKHYKREXJW-ZCFIWIBFSA-N -1 1 383.825 -0.693 20 0 GBADMM COC(=O)[C@H]1c2ccccc2OCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001571235263 953210239 /nfs/dbraw/zinc/21/02/39/953210239.db2.gz YNVQJZVFHUFSKA-CYBMUJFWSA-N -1 1 384.356 -0.407 20 0 GBADMM COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001571235264 953210248 /nfs/dbraw/zinc/21/02/48/953210248.db2.gz YNVQJZVFHUFSKA-ZDUSSCGKSA-N -1 1 384.356 -0.407 20 0 GBADMM COC(=O)[C@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571235359 953211277 /nfs/dbraw/zinc/21/12/77/953211277.db2.gz BEKVXFMNRNVVMQ-KXNHARMFSA-N -1 1 384.400 -0.640 20 0 GBADMM COC(=O)[C@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571235359 953211274 /nfs/dbraw/zinc/21/12/74/953211274.db2.gz BEKVXFMNRNVVMQ-KXNHARMFSA-N -1 1 384.400 -0.640 20 0 GBADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571235360 953211562 /nfs/dbraw/zinc/21/15/62/953211562.db2.gz BEKVXFMNRNVVMQ-USZNOCQGSA-N -1 1 384.400 -0.640 20 0 GBADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571235360 953211560 /nfs/dbraw/zinc/21/15/60/953211560.db2.gz BEKVXFMNRNVVMQ-USZNOCQGSA-N -1 1 384.400 -0.640 20 0 GBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571235361 953211475 /nfs/dbraw/zinc/21/14/75/953211475.db2.gz BEKVXFMNRNVVMQ-WHOHXGKFSA-N -1 1 384.400 -0.640 20 0 GBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571235361 953211472 /nfs/dbraw/zinc/21/14/72/953211472.db2.gz BEKVXFMNRNVVMQ-WHOHXGKFSA-N -1 1 384.400 -0.640 20 0 GBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571235362 953211435 /nfs/dbraw/zinc/21/14/35/953211435.db2.gz BEKVXFMNRNVVMQ-WRWGMCAJSA-N -1 1 384.400 -0.640 20 0 GBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571235362 953211431 /nfs/dbraw/zinc/21/14/31/953211431.db2.gz BEKVXFMNRNVVMQ-WRWGMCAJSA-N -1 1 384.400 -0.640 20 0 GBADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001571235539 953213903 /nfs/dbraw/zinc/21/39/03/953213903.db2.gz HQWHSBXXVIUFHB-JTQLQIEISA-N -1 1 384.393 -0.421 20 0 GBADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001571235540 953213783 /nfs/dbraw/zinc/21/37/83/953213783.db2.gz HQWHSBXXVIUFHB-SNVBAGLBSA-N -1 1 384.393 -0.421 20 0 GBADMM O=C(Cc1ccc(F)cc1)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001571236205 953216550 /nfs/dbraw/zinc/21/65/50/953216550.db2.gz VFJLDYOTECPGHD-KGLIPLIRSA-N -1 1 384.375 -0.296 20 0 GBADMM O=C(Cc1ccc(F)cc1)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571236205 953216548 /nfs/dbraw/zinc/21/65/48/953216548.db2.gz VFJLDYOTECPGHD-KGLIPLIRSA-N -1 1 384.375 -0.296 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cnn(CCF)c1 ZINC001571236391 953217331 /nfs/dbraw/zinc/21/73/31/953217331.db2.gz YKHNIDGCANFQJZ-GDNZZTSVSA-N -1 1 384.379 -0.313 20 0 GBADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cnn(CCF)c1 ZINC001571236391 953217329 /nfs/dbraw/zinc/21/73/29/953217329.db2.gz YKHNIDGCANFQJZ-GDNZZTSVSA-N -1 1 384.379 -0.313 20 0 GBADMM CCN(CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001571236394 953217617 /nfs/dbraw/zinc/21/76/17/953217617.db2.gz YMTABBMIWDMMKU-UHFFFAOYSA-N -1 1 384.400 -0.228 20 0 GBADMM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001571236405 953217899 /nfs/dbraw/zinc/21/78/99/953217899.db2.gz YXYMTCREUGQXRF-UHFFFAOYSA-N -1 1 384.399 -0.263 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571236637 953218252 /nfs/dbraw/zinc/21/82/52/953218252.db2.gz ALLKPUVRGZLWMR-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571236637 953218251 /nfs/dbraw/zinc/21/82/51/953218251.db2.gz ALLKPUVRGZLWMR-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571236642 953218432 /nfs/dbraw/zinc/21/84/32/953218432.db2.gz ALLKPUVRGZLWMR-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571236642 953218429 /nfs/dbraw/zinc/21/84/29/953218429.db2.gz ALLKPUVRGZLWMR-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571236643 953218006 /nfs/dbraw/zinc/21/80/06/953218006.db2.gz ALLKPUVRGZLWMR-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571236643 953218002 /nfs/dbraw/zinc/21/80/02/953218002.db2.gz ALLKPUVRGZLWMR-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571236649 953217796 /nfs/dbraw/zinc/21/77/96/953217796.db2.gz ALLKPUVRGZLWMR-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571236649 953217793 /nfs/dbraw/zinc/21/77/93/953217793.db2.gz ALLKPUVRGZLWMR-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2OC)cn1 ZINC001571236671 953217982 /nfs/dbraw/zinc/21/79/82/953217982.db2.gz ATRGKOINALOJDD-CHWSQXEVSA-N -1 1 384.404 -0.493 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2OC)cn1 ZINC001571236671 953217978 /nfs/dbraw/zinc/21/79/78/953217978.db2.gz ATRGKOINALOJDD-CHWSQXEVSA-N -1 1 384.404 -0.493 20 0 GBADMM CCc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)[nH]n1 ZINC001571236698 953219010 /nfs/dbraw/zinc/21/90/10/953219010.db2.gz BRSBGGROFQKSBD-GWCFXTLKSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)[nH]n1 ZINC001571236698 953219008 /nfs/dbraw/zinc/21/90/08/953219008.db2.gz BRSBGGROFQKSBD-GWCFXTLKSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)[nH]n1 ZINC001571236699 953218595 /nfs/dbraw/zinc/21/85/95/953218595.db2.gz BRSBGGROFQKSBD-GXFFZTMASA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)[nH]n1 ZINC001571236699 953218593 /nfs/dbraw/zinc/21/85/93/953218593.db2.gz BRSBGGROFQKSBD-GXFFZTMASA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)[nH]n1 ZINC001571236700 953218934 /nfs/dbraw/zinc/21/89/34/953218934.db2.gz BRSBGGROFQKSBD-MFKMUULPSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)[nH]n1 ZINC001571236700 953218931 /nfs/dbraw/zinc/21/89/31/953218931.db2.gz BRSBGGROFQKSBD-MFKMUULPSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)[nH]n1 ZINC001571236701 953219171 /nfs/dbraw/zinc/21/91/71/953219171.db2.gz BRSBGGROFQKSBD-ZWNOBZJWSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)[nH]n1 ZINC001571236701 953219170 /nfs/dbraw/zinc/21/91/70/953219170.db2.gz BRSBGGROFQKSBD-ZWNOBZJWSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571236715 953218787 /nfs/dbraw/zinc/21/87/87/953218787.db2.gz CAOUNLQETJMNKF-JTQLQIEISA-N -1 1 384.404 -0.423 20 0 GBADMM CCc1n[nH]cc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571236715 953218783 /nfs/dbraw/zinc/21/87/83/953218783.db2.gz CAOUNLQETJMNKF-JTQLQIEISA-N -1 1 384.404 -0.423 20 0 GBADMM CCc1n[nH]cc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571236716 953219179 /nfs/dbraw/zinc/21/91/79/953219179.db2.gz CAOUNLQETJMNKF-SNVBAGLBSA-N -1 1 384.404 -0.423 20 0 GBADMM CCc1n[nH]cc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571236716 953219176 /nfs/dbraw/zinc/21/91/76/953219176.db2.gz CAOUNLQETJMNKF-SNVBAGLBSA-N -1 1 384.404 -0.423 20 0 GBADMM C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571236731 953219163 /nfs/dbraw/zinc/21/91/63/953219163.db2.gz CJACEMCIYLNFHH-DIFFPNOSSA-N -1 1 384.400 -0.170 20 0 GBADMM C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571236731 953219162 /nfs/dbraw/zinc/21/91/62/953219162.db2.gz CJACEMCIYLNFHH-DIFFPNOSSA-N -1 1 384.400 -0.170 20 0 GBADMM CCCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)cn1 ZINC001571236922 953219218 /nfs/dbraw/zinc/21/92/18/953219218.db2.gz CYRXFBYWGZSQAA-CHWSQXEVSA-N -1 1 384.404 -0.757 20 0 GBADMM CCCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)cn1 ZINC001571236922 953219215 /nfs/dbraw/zinc/21/92/15/953219215.db2.gz CYRXFBYWGZSQAA-CHWSQXEVSA-N -1 1 384.404 -0.757 20 0 GBADMM CCCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)cn1 ZINC001571236924 953218627 /nfs/dbraw/zinc/21/86/27/953218627.db2.gz CYRXFBYWGZSQAA-OLZOCXBDSA-N -1 1 384.404 -0.757 20 0 GBADMM CCCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)cn1 ZINC001571236924 953218622 /nfs/dbraw/zinc/21/86/22/953218622.db2.gz CYRXFBYWGZSQAA-OLZOCXBDSA-N -1 1 384.404 -0.757 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2OC)[nH]n1 ZINC001571236971 953219505 /nfs/dbraw/zinc/21/95/05/953219505.db2.gz DJFNKDYOEFVRPC-VXGBXAGGSA-N -1 1 384.404 -0.424 20 0 GBADMM CCc1n[nH]cc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571236977 953219829 /nfs/dbraw/zinc/21/98/29/953219829.db2.gz DJZDWDZWDNOVOP-AAEUAGOBSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571236977 953219828 /nfs/dbraw/zinc/21/98/28/953219828.db2.gz DJZDWDZWDNOVOP-AAEUAGOBSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571236979 953219997 /nfs/dbraw/zinc/21/99/97/953219997.db2.gz DJZDWDZWDNOVOP-DGCLKSJQSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571236979 953219993 /nfs/dbraw/zinc/21/99/93/953219993.db2.gz DJZDWDZWDNOVOP-DGCLKSJQSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571236980 953219964 /nfs/dbraw/zinc/21/99/64/953219964.db2.gz DJZDWDZWDNOVOP-WCQYABFASA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571236980 953219961 /nfs/dbraw/zinc/21/99/61/953219961.db2.gz DJZDWDZWDNOVOP-WCQYABFASA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571236982 953219654 /nfs/dbraw/zinc/21/96/54/953219654.db2.gz DJZDWDZWDNOVOP-YPMHNXCESA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571236982 953219650 /nfs/dbraw/zinc/21/96/50/953219650.db2.gz DJZDWDZWDNOVOP-YPMHNXCESA-N -1 1 384.404 -0.688 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)n2C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571237026 953219570 /nfs/dbraw/zinc/21/95/70/953219570.db2.gz FLHOEHJQSMLFIZ-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)n2C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571237026 953219568 /nfs/dbraw/zinc/21/95/68/953219568.db2.gz FLHOEHJQSMLFIZ-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571237027 953219500 /nfs/dbraw/zinc/21/95/00/953219500.db2.gz FLHOEHJQSMLFIZ-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571237027 953219496 /nfs/dbraw/zinc/21/94/96/953219496.db2.gz FLHOEHJQSMLFIZ-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)n2C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571237028 953219708 /nfs/dbraw/zinc/21/97/08/953219708.db2.gz FLHOEHJQSMLFIZ-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)n2C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571237028 953219705 /nfs/dbraw/zinc/21/97/05/953219705.db2.gz FLHOEHJQSMLFIZ-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571237029 953219721 /nfs/dbraw/zinc/21/97/21/953219721.db2.gz FLHOEHJQSMLFIZ-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571237029 953219719 /nfs/dbraw/zinc/21/97/19/953219719.db2.gz FLHOEHJQSMLFIZ-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCO[C@@H](c3cccnc3)C2)n(C)c1=O ZINC001571237030 953219527 /nfs/dbraw/zinc/21/95/27/953219527.db2.gz FLNXZQUNRDNQDL-VXGBXAGGSA-N -1 1 384.400 -0.009 20 0 GBADMM CCN(C(=O)c1c[nH]c(=O)n1C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571237285 953220274 /nfs/dbraw/zinc/22/02/74/953220274.db2.gz GUVQJXIAINURQI-JTQLQIEISA-N -1 1 384.404 -0.163 20 0 GBADMM CCN(C(=O)c1c[nH]c(=O)n1C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571237285 953220269 /nfs/dbraw/zinc/22/02/69/953220269.db2.gz GUVQJXIAINURQI-JTQLQIEISA-N -1 1 384.404 -0.163 20 0 GBADMM CCN(C(=O)c1c[nH]c(=O)n1C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571237287 953220264 /nfs/dbraw/zinc/22/02/64/953220264.db2.gz GUVQJXIAINURQI-SNVBAGLBSA-N -1 1 384.404 -0.163 20 0 GBADMM CCN(C(=O)c1c[nH]c(=O)n1C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571237287 953220261 /nfs/dbraw/zinc/22/02/61/953220261.db2.gz GUVQJXIAINURQI-SNVBAGLBSA-N -1 1 384.404 -0.163 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1c[nH]cn1 ZINC001571237311 953220638 /nfs/dbraw/zinc/22/06/38/953220638.db2.gz HBHUMAWEHPSOLF-NXEZZACHSA-N -1 1 384.404 -0.977 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1c[nH]cn1 ZINC001571237314 953220503 /nfs/dbraw/zinc/22/05/03/953220503.db2.gz HDUULMRMRJSTOT-MNOVXSKESA-N -1 1 384.404 -0.977 20 0 GBADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1=COCCO1 ZINC001571237451 953221430 /nfs/dbraw/zinc/22/14/30/953221430.db2.gz HSGMDEMYENDUKB-NEPJUHHUSA-N -1 1 384.400 -0.194 20 0 GBADMM O=C(N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1=COCCO1 ZINC001571237452 953221324 /nfs/dbraw/zinc/22/13/24/953221324.db2.gz HSGMDEMYENDUKB-NWDGAFQWSA-N -1 1 384.400 -0.194 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1=COCCO1 ZINC001571237454 953221334 /nfs/dbraw/zinc/22/13/34/953221334.db2.gz HSGMDEMYENDUKB-RYUDHWBXSA-N -1 1 384.400 -0.194 20 0 GBADMM O=C(N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1=COCCO1 ZINC001571237455 953221146 /nfs/dbraw/zinc/22/11/46/953221146.db2.gz HSGMDEMYENDUKB-VXGBXAGGSA-N -1 1 384.400 -0.194 20 0 GBADMM CCn1ccnc1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571237477 953221378 /nfs/dbraw/zinc/22/13/78/953221378.db2.gz IONGBWKQOZKUCQ-LLVKDONJSA-N -1 1 384.404 -0.492 20 0 GBADMM CCn1ccnc1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571237477 953221377 /nfs/dbraw/zinc/22/13/77/953221377.db2.gz IONGBWKQOZKUCQ-LLVKDONJSA-N -1 1 384.404 -0.492 20 0 GBADMM CCn1ccnc1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571237478 953221023 /nfs/dbraw/zinc/22/10/23/953221023.db2.gz IONGBWKQOZKUCQ-NSHDSACASA-N -1 1 384.404 -0.492 20 0 GBADMM CCn1ccnc1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571237478 953221020 /nfs/dbraw/zinc/22/10/20/953221020.db2.gz IONGBWKQOZKUCQ-NSHDSACASA-N -1 1 384.404 -0.492 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001571237483 953221462 /nfs/dbraw/zinc/22/14/62/953221462.db2.gz IUXNYQIRXLVLEG-CMPLNLGQSA-N -1 1 384.404 -0.846 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001571237484 953221416 /nfs/dbraw/zinc/22/14/16/953221416.db2.gz IUXNYQIRXLVLEG-JQWIXIFHSA-N -1 1 384.404 -0.846 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001571237485 953221404 /nfs/dbraw/zinc/22/14/04/953221404.db2.gz IUXNYQIRXLVLEG-PWSUYJOCSA-N -1 1 384.404 -0.846 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001571237486 953221592 /nfs/dbraw/zinc/22/15/92/953221592.db2.gz IUXNYQIRXLVLEG-ZYHUDNBSSA-N -1 1 384.404 -0.846 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3[nH]cnc3C)C2)n1 ZINC001571237520 953222132 /nfs/dbraw/zinc/22/21/32/953222132.db2.gz JPKFIWLPHYVKMF-GHMZBOCLSA-N -1 1 384.404 -0.770 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](O)[C@H](NC(=O)c3[nH]cnc3C)C2)n1 ZINC001571237520 953222130 /nfs/dbraw/zinc/22/21/30/953222130.db2.gz JPKFIWLPHYVKMF-GHMZBOCLSA-N -1 1 384.404 -0.770 20 0 GBADMM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571237521 953222379 /nfs/dbraw/zinc/22/23/79/953222379.db2.gz JQSRGGTXEHBWQV-NXEZZACHSA-N -1 1 384.404 -0.084 20 0 GBADMM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571237522 953222147 /nfs/dbraw/zinc/22/21/47/953222147.db2.gz JQSRGGTXEHBWQV-UWVGGRQHSA-N -1 1 384.404 -0.084 20 0 GBADMM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571237523 953221985 /nfs/dbraw/zinc/22/19/85/953221985.db2.gz JQSRGGTXEHBWQV-VHSXEESVSA-N -1 1 384.404 -0.084 20 0 GBADMM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571237524 953222414 /nfs/dbraw/zinc/22/24/14/953222414.db2.gz JQSRGGTXEHBWQV-ZJUUUORDSA-N -1 1 384.404 -0.084 20 0 GBADMM CCCc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571237527 953221897 /nfs/dbraw/zinc/22/18/97/953221897.db2.gz JWDZGBYSOROULE-OLZOCXBDSA-N -1 1 384.404 -0.688 20 0 GBADMM CCCc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571237527 953221894 /nfs/dbraw/zinc/22/18/94/953221894.db2.gz JWDZGBYSOROULE-OLZOCXBDSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1n[nH]cc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237692 953222870 /nfs/dbraw/zinc/22/28/70/953222870.db2.gz LUZDVAMEOWHDMY-JTQLQIEISA-N -1 1 384.404 -0.105 20 0 GBADMM CCc1n[nH]cc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237692 953222867 /nfs/dbraw/zinc/22/28/67/953222867.db2.gz LUZDVAMEOWHDMY-JTQLQIEISA-N -1 1 384.404 -0.105 20 0 GBADMM CCc1n[nH]cc1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237693 953223432 /nfs/dbraw/zinc/22/34/32/953223432.db2.gz LUZDVAMEOWHDMY-SNVBAGLBSA-N -1 1 384.404 -0.105 20 0 GBADMM CCc1n[nH]cc1C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237693 953223428 /nfs/dbraw/zinc/22/34/28/953223428.db2.gz LUZDVAMEOWHDMY-SNVBAGLBSA-N -1 1 384.404 -0.105 20 0 GBADMM CCN(C(=O)c1cn(C)c(=O)[nH]1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571237699 953223497 /nfs/dbraw/zinc/22/34/97/953223497.db2.gz MAEXGIMNIFLKHC-JTQLQIEISA-N -1 1 384.404 -0.163 20 0 GBADMM CCN(C(=O)c1cn(C)c(=O)[nH]1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571237700 953223485 /nfs/dbraw/zinc/22/34/85/953223485.db2.gz MAEXGIMNIFLKHC-SNVBAGLBSA-N -1 1 384.404 -0.163 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cn(C)c(=O)n1C ZINC001571237703 953223241 /nfs/dbraw/zinc/22/32/41/953223241.db2.gz MCBNUTUALQXBPP-NXEZZACHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cn(C)c(=O)n1C ZINC001571237703 953223237 /nfs/dbraw/zinc/22/32/37/953223237.db2.gz MCBNUTUALQXBPP-NXEZZACHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cn(C)c(=O)n1C ZINC001571237704 953223317 /nfs/dbraw/zinc/22/33/17/953223317.db2.gz MCBNUTUALQXBPP-UWVGGRQHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cn(C)c(=O)n1C ZINC001571237704 953223313 /nfs/dbraw/zinc/22/33/13/953223313.db2.gz MCBNUTUALQXBPP-UWVGGRQHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cn(C)c(=O)n1C ZINC001571237705 953222905 /nfs/dbraw/zinc/22/29/05/953222905.db2.gz MCBNUTUALQXBPP-VHSXEESVSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cn(C)c(=O)n1C ZINC001571237705 953222904 /nfs/dbraw/zinc/22/29/04/953222904.db2.gz MCBNUTUALQXBPP-VHSXEESVSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cn(C)c(=O)n1C ZINC001571237706 953223391 /nfs/dbraw/zinc/22/33/91/953223391.db2.gz MCBNUTUALQXBPP-ZJUUUORDSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cn(C)c(=O)n1C ZINC001571237706 953223388 /nfs/dbraw/zinc/22/33/88/953223388.db2.gz MCBNUTUALQXBPP-ZJUUUORDSA-N -1 1 384.404 -0.591 20 0 GBADMM CCCc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)[nH]n1 ZINC001571237747 953222786 /nfs/dbraw/zinc/22/27/86/953222786.db2.gz MYDSSIYKPKCNMI-OLZOCXBDSA-N -1 1 384.404 -0.688 20 0 GBADMM CCCc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)[nH]n1 ZINC001571237747 953222784 /nfs/dbraw/zinc/22/27/84/953222784.db2.gz MYDSSIYKPKCNMI-OLZOCXBDSA-N -1 1 384.404 -0.688 20 0 GBADMM CCCc1n[nH]cc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571237904 953223287 /nfs/dbraw/zinc/22/32/87/953223287.db2.gz NNJOZFBRHMBDAS-OLZOCXBDSA-N -1 1 384.404 -0.688 20 0 GBADMM CCCc1n[nH]cc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571237904 953223282 /nfs/dbraw/zinc/22/32/82/953223282.db2.gz NNJOZFBRHMBDAS-OLZOCXBDSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]nc3C)C2)n1 ZINC001571237932 953224277 /nfs/dbraw/zinc/22/42/77/953224277.db2.gz OJSCRUFUYAMZSQ-VXGBXAGGSA-N -1 1 384.404 -0.770 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]nc3C)C2)n1 ZINC001571237932 953224275 /nfs/dbraw/zinc/22/42/75/953224275.db2.gz OJSCRUFUYAMZSQ-VXGBXAGGSA-N -1 1 384.404 -0.770 20 0 GBADMM CCn1ccnc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1OC ZINC001571237944 953224220 /nfs/dbraw/zinc/22/42/20/953224220.db2.gz ORMWNLQUVVAJJB-VXGBXAGGSA-N -1 1 384.404 -0.493 20 0 GBADMM CCn1ccnc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1OC ZINC001571237944 953224216 /nfs/dbraw/zinc/22/42/16/953224216.db2.gz ORMWNLQUVVAJJB-VXGBXAGGSA-N -1 1 384.404 -0.493 20 0 GBADMM CCc1nc[nH]c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571237949 953223920 /nfs/dbraw/zinc/22/39/20/953223920.db2.gz OTLAKZXOAQFNGV-CMPLNLGQSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1nc[nH]c1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571237949 953223918 /nfs/dbraw/zinc/22/39/18/953223918.db2.gz OTLAKZXOAQFNGV-CMPLNLGQSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1nc[nH]c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571237950 953224149 /nfs/dbraw/zinc/22/41/49/953224149.db2.gz OTLAKZXOAQFNGV-JQWIXIFHSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1nc[nH]c1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571237950 953224146 /nfs/dbraw/zinc/22/41/46/953224146.db2.gz OTLAKZXOAQFNGV-JQWIXIFHSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571237951 953223934 /nfs/dbraw/zinc/22/39/34/953223934.db2.gz OTLAKZXOAQFNGV-PWSUYJOCSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571237951 953223931 /nfs/dbraw/zinc/22/39/31/953223931.db2.gz OTLAKZXOAQFNGV-PWSUYJOCSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571237952 953223999 /nfs/dbraw/zinc/22/39/99/953223999.db2.gz OTLAKZXOAQFNGV-ZYHUDNBSSA-N -1 1 384.404 -0.688 20 0 GBADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571237952 953223997 /nfs/dbraw/zinc/22/39/97/953223997.db2.gz OTLAKZXOAQFNGV-ZYHUDNBSSA-N -1 1 384.404 -0.688 20 0 GBADMM CCn1cc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571237963 953223676 /nfs/dbraw/zinc/22/36/76/953223676.db2.gz PBDVDSIXOZJRLB-GFCCVEGCSA-N -1 1 384.404 -0.174 20 0 GBADMM CCn1cc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571237963 953223672 /nfs/dbraw/zinc/22/36/72/953223672.db2.gz PBDVDSIXOZJRLB-GFCCVEGCSA-N -1 1 384.404 -0.174 20 0 GBADMM CCn1cc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571237964 953223882 /nfs/dbraw/zinc/22/38/82/953223882.db2.gz PBDVDSIXOZJRLB-LBPRGKRZSA-N -1 1 384.404 -0.174 20 0 GBADMM CCn1cc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571237964 953223879 /nfs/dbraw/zinc/22/38/79/953223879.db2.gz PBDVDSIXOZJRLB-LBPRGKRZSA-N -1 1 384.404 -0.174 20 0 GBADMM Cn1c(=O)[nH]c(N2CCN(Cc3ccc(O)cc3)CC2)c(-c2nnn[n-]2)c1=O ZINC001571238010 953224754 /nfs/dbraw/zinc/22/47/54/953224754.db2.gz QTCFGDFLGFLRMA-UHFFFAOYSA-N -1 1 384.400 -0.719 20 0 GBADMM C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571238032 953224495 /nfs/dbraw/zinc/22/44/95/953224495.db2.gz RPMQCRJFVFOSLX-DIFFPNOSSA-N -1 1 384.400 -0.170 20 0 GBADMM C[C@]12CN(C(=O)C3=COCCO3)C[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571238032 953224492 /nfs/dbraw/zinc/22/44/92/953224492.db2.gz RPMQCRJFVFOSLX-DIFFPNOSSA-N -1 1 384.400 -0.170 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001571238063 953224985 /nfs/dbraw/zinc/22/49/85/953224985.db2.gz SNLDGMWEMYGFPR-NEPJUHHUSA-N -1 1 384.404 -0.997 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001571238064 953224965 /nfs/dbraw/zinc/22/49/65/953224965.db2.gz SNLDGMWEMYGFPR-NWDGAFQWSA-N -1 1 384.404 -0.997 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001571238065 953224906 /nfs/dbraw/zinc/22/49/06/953224906.db2.gz SNLDGMWEMYGFPR-RYUDHWBXSA-N -1 1 384.404 -0.997 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001571238066 953225124 /nfs/dbraw/zinc/22/51/24/953225124.db2.gz SNLDGMWEMYGFPR-VXGBXAGGSA-N -1 1 384.404 -0.997 20 0 GBADMM CCc1nc(N[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571238067 953224598 /nfs/dbraw/zinc/22/45/98/953224598.db2.gz SNPPJRFOOYOFMG-SECBINFHSA-N -1 1 384.404 -0.015 20 0 GBADMM CCc1nc(N[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571238067 953224592 /nfs/dbraw/zinc/22/45/92/953224592.db2.gz SNPPJRFOOYOFMG-SECBINFHSA-N -1 1 384.404 -0.015 20 0 GBADMM CCc1nc(N[C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571238068 953224697 /nfs/dbraw/zinc/22/46/97/953224697.db2.gz SNPPJRFOOYOFMG-VIFPVBQESA-N -1 1 384.404 -0.015 20 0 GBADMM CCc1nc(N[C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571238068 953224695 /nfs/dbraw/zinc/22/46/95/953224695.db2.gz SNPPJRFOOYOFMG-VIFPVBQESA-N -1 1 384.404 -0.015 20 0 GBADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001571238076 953225562 /nfs/dbraw/zinc/22/55/62/953225562.db2.gz SYFFNICJTYMETF-GWCFXTLKSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001571238076 953225558 /nfs/dbraw/zinc/22/55/58/953225558.db2.gz SYFFNICJTYMETF-GWCFXTLKSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001571238077 953225797 /nfs/dbraw/zinc/22/57/97/953225797.db2.gz SYFFNICJTYMETF-GXFFZTMASA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001571238077 953225795 /nfs/dbraw/zinc/22/57/95/953225795.db2.gz SYFFNICJTYMETF-GXFFZTMASA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001571238078 953225342 /nfs/dbraw/zinc/22/53/42/953225342.db2.gz SYFFNICJTYMETF-MFKMUULPSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001571238078 953225339 /nfs/dbraw/zinc/22/53/39/953225339.db2.gz SYFFNICJTYMETF-MFKMUULPSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001571238079 953225864 /nfs/dbraw/zinc/22/58/64/953225864.db2.gz SYFFNICJTYMETF-ZWNOBZJWSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001571238079 953225863 /nfs/dbraw/zinc/22/58/63/953225863.db2.gz SYFFNICJTYMETF-ZWNOBZJWSA-N -1 1 384.404 -0.268 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1c[nH]cn1 ZINC001571238155 953226099 /nfs/dbraw/zinc/22/60/99/953226099.db2.gz VOPMVEOVHBQHGH-MNOVXSKESA-N -1 1 384.404 -0.977 20 0 GBADMM CCCn1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571238188 953226349 /nfs/dbraw/zinc/22/63/49/953226349.db2.gz WFJGDSKUKSCMCJ-DGCLKSJQSA-N -1 1 384.404 -0.757 20 0 GBADMM CCCn1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571238188 953226344 /nfs/dbraw/zinc/22/63/44/953226344.db2.gz WFJGDSKUKSCMCJ-DGCLKSJQSA-N -1 1 384.404 -0.757 20 0 GBADMM Cc1ccoc1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571238193 953226593 /nfs/dbraw/zinc/22/65/93/953226593.db2.gz WJGHRRAQODCSLR-NEPJUHHUSA-N -1 1 384.400 -0.143 20 0 GBADMM Cc1ccoc1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571238194 953226652 /nfs/dbraw/zinc/22/66/52/953226652.db2.gz WJGHRRAQODCSLR-NWDGAFQWSA-N -1 1 384.400 -0.143 20 0 GBADMM Cc1ccoc1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571238195 953226250 /nfs/dbraw/zinc/22/62/50/953226250.db2.gz WJGHRRAQODCSLR-RYUDHWBXSA-N -1 1 384.400 -0.143 20 0 GBADMM Cc1ccoc1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571238196 953226479 /nfs/dbraw/zinc/22/64/79/953226479.db2.gz WJGHRRAQODCSLR-VXGBXAGGSA-N -1 1 384.400 -0.143 20 0 GBADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001571238204 953226642 /nfs/dbraw/zinc/22/66/42/953226642.db2.gz WNMQYZJQBXENOR-GWCFXTLKSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001571238204 953226640 /nfs/dbraw/zinc/22/66/40/953226640.db2.gz WNMQYZJQBXENOR-GWCFXTLKSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001571238205 953226615 /nfs/dbraw/zinc/22/66/15/953226615.db2.gz WNMQYZJQBXENOR-GXFFZTMASA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001571238205 953226614 /nfs/dbraw/zinc/22/66/14/953226614.db2.gz WNMQYZJQBXENOR-GXFFZTMASA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001571238206 953226647 /nfs/dbraw/zinc/22/66/47/953226647.db2.gz WNMQYZJQBXENOR-MFKMUULPSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001571238206 953226645 /nfs/dbraw/zinc/22/66/45/953226645.db2.gz WNMQYZJQBXENOR-MFKMUULPSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001571238207 953226376 /nfs/dbraw/zinc/22/63/76/953226376.db2.gz WNMQYZJQBXENOR-ZWNOBZJWSA-N -1 1 384.404 -0.268 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001571238207 953226372 /nfs/dbraw/zinc/22/63/72/953226372.db2.gz WNMQYZJQBXENOR-ZWNOBZJWSA-N -1 1 384.404 -0.268 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571238217 953226142 /nfs/dbraw/zinc/22/61/42/953226142.db2.gz WUIRGRNLBXDSDP-VIFPVBQESA-N -1 1 384.404 -0.333 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571238217 953226138 /nfs/dbraw/zinc/22/61/38/953226138.db2.gz WUIRGRNLBXDSDP-VIFPVBQESA-N -1 1 384.404 -0.333 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)c(C)n1 ZINC001571238224 953226116 /nfs/dbraw/zinc/22/61/16/953226116.db2.gz XBUMPEYHXFRLKE-CHWSQXEVSA-N -1 1 384.404 -0.839 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)c(C)n1 ZINC001571238224 953226112 /nfs/dbraw/zinc/22/61/12/953226112.db2.gz XBUMPEYHXFRLKE-CHWSQXEVSA-N -1 1 384.404 -0.839 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2OC)cn1 ZINC001571238231 953226650 /nfs/dbraw/zinc/22/66/50/953226650.db2.gz XHYHRJVLRONWEF-CHWSQXEVSA-N -1 1 384.404 -0.493 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2OC)cn1 ZINC001571238231 953226649 /nfs/dbraw/zinc/22/66/49/953226649.db2.gz XHYHRJVLRONWEF-CHWSQXEVSA-N -1 1 384.404 -0.493 20 0 GBADMM O=C(C[C@H]1COC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571238258 953227592 /nfs/dbraw/zinc/22/75/92/953227592.db2.gz YEEYAZJGGDWNTC-DCQANWLSSA-N -1 1 384.400 -0.164 20 0 GBADMM O=C(C[C@H]1COC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571238258 953227589 /nfs/dbraw/zinc/22/75/89/953227589.db2.gz YEEYAZJGGDWNTC-DCQANWLSSA-N -1 1 384.400 -0.164 20 0 GBADMM O=C(C[C@@H]1COC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571238259 953227470 /nfs/dbraw/zinc/22/74/70/953227470.db2.gz YEEYAZJGGDWNTC-NOHGZBONSA-N -1 1 384.400 -0.164 20 0 GBADMM O=C(C[C@@H]1COC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571238259 953227467 /nfs/dbraw/zinc/22/74/67/953227467.db2.gz YEEYAZJGGDWNTC-NOHGZBONSA-N -1 1 384.400 -0.164 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001571238263 953227205 /nfs/dbraw/zinc/22/72/05/953227205.db2.gz YHEMAFNRSRKEKI-GHMZBOCLSA-N -1 1 384.404 -0.928 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001571238264 953227503 /nfs/dbraw/zinc/22/75/03/953227503.db2.gz YHEMAFNRSRKEKI-MNOVXSKESA-N -1 1 384.404 -0.928 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001571238265 953227130 /nfs/dbraw/zinc/22/71/30/953227130.db2.gz YHEMAFNRSRKEKI-QWRGUYRKSA-N -1 1 384.404 -0.928 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001571238266 953227581 /nfs/dbraw/zinc/22/75/81/953227581.db2.gz YHEMAFNRSRKEKI-WDEREUQCSA-N -1 1 384.404 -0.928 20 0 GBADMM CCc1cc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571238267 953227565 /nfs/dbraw/zinc/22/75/65/953227565.db2.gz YHLWWJQZNYNQFH-LLVKDONJSA-N -1 1 384.404 -0.105 20 0 GBADMM CCc1cc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571238268 953227445 /nfs/dbraw/zinc/22/74/45/953227445.db2.gz YHLWWJQZNYNQFH-NSHDSACASA-N -1 1 384.404 -0.105 20 0 GBADMM CCOc1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571238280 953227152 /nfs/dbraw/zinc/22/71/52/953227152.db2.gz YKMVRHGPCGUBMS-JTQLQIEISA-N -1 1 384.404 -0.083 20 0 GBADMM O=C(C1=COCCO1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571238283 953226992 /nfs/dbraw/zinc/22/69/92/953226992.db2.gz YOIWSCMPDHSGMJ-WCQYABFASA-N -1 1 384.400 -0.028 20 0 GBADMM O=C(C1=COCCO1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571238283 953226987 /nfs/dbraw/zinc/22/69/87/953226987.db2.gz YOIWSCMPDHSGMJ-WCQYABFASA-N -1 1 384.400 -0.028 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)Cc3nonc3C)CC2)n1 ZINC001571238291 953227096 /nfs/dbraw/zinc/22/70/96/953227096.db2.gz YSQMHOLRTWEIIO-UHFFFAOYSA-N -1 1 384.404 -0.198 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)Cc3nonc3C)CC2)n1 ZINC001571238291 953227093 /nfs/dbraw/zinc/22/70/93/953227093.db2.gz YSQMHOLRTWEIIO-UHFFFAOYSA-N -1 1 384.404 -0.198 20 0 GBADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)NCc2ccc(OCC(N)=O)cc2)c1C ZINC001571238296 953227440 /nfs/dbraw/zinc/22/74/40/953227440.db2.gz YYAOPMBFFBITSS-UHFFFAOYSA-N -1 1 384.400 -0.139 20 0 GBADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)NCc2ccc(OCC(N)=O)cc2)c1C ZINC001571238296 953227438 /nfs/dbraw/zinc/22/74/38/953227438.db2.gz YYAOPMBFFBITSS-UHFFFAOYSA-N -1 1 384.400 -0.139 20 0 GBADMM CCc1nc[nH]c1C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238320 953228265 /nfs/dbraw/zinc/22/82/65/953228265.db2.gz ZQZVTEMEUNSABV-JTQLQIEISA-N -1 1 384.404 -0.105 20 0 GBADMM CCc1nc[nH]c1C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238321 953227846 /nfs/dbraw/zinc/22/78/46/953227846.db2.gz ZQZVTEMEUNSABV-SNVBAGLBSA-N -1 1 384.404 -0.105 20 0 GBADMM CCn1nc(C)cc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571238333 953228346 /nfs/dbraw/zinc/22/83/46/953228346.db2.gz ZWMUVHWZMJQABO-DGCLKSJQSA-N -1 1 384.404 -0.839 20 0 GBADMM CCn1nc(C)cc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571238333 953228342 /nfs/dbraw/zinc/22/83/42/953228342.db2.gz ZWMUVHWZMJQABO-DGCLKSJQSA-N -1 1 384.404 -0.839 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001571238336 953228376 /nfs/dbraw/zinc/22/83/76/953228376.db2.gz ZYPLZPZOITZCDE-NEPJUHHUSA-N -1 1 384.404 -0.997 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001571238337 953228278 /nfs/dbraw/zinc/22/82/78/953228278.db2.gz ZYPLZPZOITZCDE-NWDGAFQWSA-N -1 1 384.404 -0.997 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001571238338 953227954 /nfs/dbraw/zinc/22/79/54/953227954.db2.gz ZYPLZPZOITZCDE-RYUDHWBXSA-N -1 1 384.404 -0.997 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001571238339 953227864 /nfs/dbraw/zinc/22/78/64/953227864.db2.gz ZYPLZPZOITZCDE-VXGBXAGGSA-N -1 1 384.404 -0.997 20 0 GBADMM COCc1nn(C)cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238350 953228116 /nfs/dbraw/zinc/22/81/16/953228116.db2.gz AAQPWUDBPVNQLU-SNVBAGLBSA-N -1 1 384.404 -0.455 20 0 GBADMM COCc1nn(C)cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238350 953228113 /nfs/dbraw/zinc/22/81/13/953228113.db2.gz AAQPWUDBPVNQLU-SNVBAGLBSA-N -1 1 384.404 -0.455 20 0 GBADMM COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238355 953228480 /nfs/dbraw/zinc/22/84/80/953228480.db2.gz AINVCIALYDBOBF-MWLCHTKSSA-N -1 1 384.404 -0.607 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571238356 953228128 /nfs/dbraw/zinc/22/81/28/953228128.db2.gz AITISWYQVHKFPL-SECBINFHSA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571238356 953228125 /nfs/dbraw/zinc/22/81/25/953228125.db2.gz AITISWYQVHKFPL-SECBINFHSA-N -1 1 384.408 -0.275 20 0 GBADMM CCn1nccc1C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571238357 953228074 /nfs/dbraw/zinc/22/80/74/953228074.db2.gz AKCPWUPOAWSMHV-LLVKDONJSA-N -1 1 384.404 -0.492 20 0 GBADMM CCn1nccc1C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571238357 953228073 /nfs/dbraw/zinc/22/80/73/953228073.db2.gz AKCPWUPOAWSMHV-LLVKDONJSA-N -1 1 384.404 -0.492 20 0 GBADMM CCn1nccc1C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571238358 953227988 /nfs/dbraw/zinc/22/79/88/953227988.db2.gz AKCPWUPOAWSMHV-NSHDSACASA-N -1 1 384.404 -0.492 20 0 GBADMM CCn1nccc1C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571238358 953227984 /nfs/dbraw/zinc/22/79/84/953227984.db2.gz AKCPWUPOAWSMHV-NSHDSACASA-N -1 1 384.404 -0.492 20 0 GBADMM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cc(C)nn1C ZINC001571238364 953227877 /nfs/dbraw/zinc/22/78/77/953227877.db2.gz ARSGQWAZMMLPAA-ZYHUDNBSSA-N -1 1 384.404 -0.668 20 0 GBADMM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cc(C)nn1C ZINC001571238364 953227874 /nfs/dbraw/zinc/22/78/74/953227874.db2.gz ARSGQWAZMMLPAA-ZYHUDNBSSA-N -1 1 384.404 -0.668 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571238367 953227909 /nfs/dbraw/zinc/22/79/09/953227909.db2.gz ATJVSFBZVGMZRR-HNNXBMFYSA-N -1 1 384.408 -0.547 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571238367 953227906 /nfs/dbraw/zinc/22/79/06/953227906.db2.gz ATJVSFBZVGMZRR-HNNXBMFYSA-N -1 1 384.408 -0.547 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571238368 953228056 /nfs/dbraw/zinc/22/80/56/953228056.db2.gz ATJVSFBZVGMZRR-OAHLLOKOSA-N -1 1 384.408 -0.547 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571238368 953228054 /nfs/dbraw/zinc/22/80/54/953228054.db2.gz ATJVSFBZVGMZRR-OAHLLOKOSA-N -1 1 384.408 -0.547 20 0 GBADMM CN(C[C@H]1CCCN(C(=O)Cn2ncnn2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571238373 953228426 /nfs/dbraw/zinc/22/84/26/953228426.db2.gz AUZZSKLINWFWEN-LLVKDONJSA-N -1 1 384.408 -0.982 20 0 GBADMM CN(C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571238374 953228006 /nfs/dbraw/zinc/22/80/06/953228006.db2.gz AUZZSKLINWFWEN-NSHDSACASA-N -1 1 384.408 -0.982 20 0 GBADMM Cc1c[nH]c(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238381 953228288 /nfs/dbraw/zinc/22/82/88/953228288.db2.gz BCHSLAZRHZGUQS-GHMZBOCLSA-N -1 1 384.404 -0.548 20 0 GBADMM Cc1c[nH]c(C(=O)N2CCO[C@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238382 953228351 /nfs/dbraw/zinc/22/83/51/953228351.db2.gz BCHSLAZRHZGUQS-MNOVXSKESA-N -1 1 384.404 -0.548 20 0 GBADMM Cc1c[nH]c(C(=O)N2CCO[C@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238383 953228323 /nfs/dbraw/zinc/22/83/23/953228323.db2.gz BCHSLAZRHZGUQS-QWRGUYRKSA-N -1 1 384.404 -0.548 20 0 GBADMM Cc1c[nH]c(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238384 953228229 /nfs/dbraw/zinc/22/82/29/953228229.db2.gz BCHSLAZRHZGUQS-WDEREUQCSA-N -1 1 384.404 -0.548 20 0 GBADMM Cc1c[nH]nc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571238392 953228835 /nfs/dbraw/zinc/22/88/35/953228835.db2.gz BHNYJGZABZDDKS-CMPLNLGQSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]nc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571238392 953228833 /nfs/dbraw/zinc/22/88/33/953228833.db2.gz BHNYJGZABZDDKS-CMPLNLGQSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]nc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571238393 953229243 /nfs/dbraw/zinc/22/92/43/953229243.db2.gz BHNYJGZABZDDKS-JQWIXIFHSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]nc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571238393 953229240 /nfs/dbraw/zinc/22/92/40/953229240.db2.gz BHNYJGZABZDDKS-JQWIXIFHSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]nc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571238394 953229201 /nfs/dbraw/zinc/22/92/01/953229201.db2.gz BHNYJGZABZDDKS-PWSUYJOCSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]nc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571238394 953229200 /nfs/dbraw/zinc/22/92/00/953229200.db2.gz BHNYJGZABZDDKS-PWSUYJOCSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]nc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571238395 953229015 /nfs/dbraw/zinc/22/90/15/953229015.db2.gz BHNYJGZABZDDKS-ZYHUDNBSSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]nc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571238395 953229012 /nfs/dbraw/zinc/22/90/12/953229012.db2.gz BHNYJGZABZDDKS-ZYHUDNBSSA-N -1 1 384.404 -0.634 20 0 GBADMM Cn1nccc1C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238401 953228860 /nfs/dbraw/zinc/22/88/60/953228860.db2.gz BKGWXEFDLHZWCZ-LLVKDONJSA-N -1 1 384.404 -0.267 20 0 GBADMM Cn1nccc1C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238401 953228858 /nfs/dbraw/zinc/22/88/58/953228858.db2.gz BKGWXEFDLHZWCZ-LLVKDONJSA-N -1 1 384.404 -0.267 20 0 GBADMM Cn1nccc1C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238402 953229074 /nfs/dbraw/zinc/22/90/74/953229074.db2.gz BKGWXEFDLHZWCZ-NSHDSACASA-N -1 1 384.404 -0.267 20 0 GBADMM Cn1nccc1C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238402 953229071 /nfs/dbraw/zinc/22/90/71/953229071.db2.gz BKGWXEFDLHZWCZ-NSHDSACASA-N -1 1 384.404 -0.267 20 0 GBADMM Cc1nnc(CC(=O)N[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC2(C)C)o1 ZINC001571238403 953229136 /nfs/dbraw/zinc/22/91/36/953229136.db2.gz BLYVZDUBQXGPEM-JTQLQIEISA-N -1 1 384.404 -0.078 20 0 GBADMM Cc1nnc(CC(=O)N[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC2(C)C)o1 ZINC001571238403 953229134 /nfs/dbraw/zinc/22/91/34/953229134.db2.gz BLYVZDUBQXGPEM-JTQLQIEISA-N -1 1 384.404 -0.078 20 0 GBADMM Cc1nnc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC2(C)C)o1 ZINC001571238404 953228815 /nfs/dbraw/zinc/22/88/15/953228815.db2.gz BLYVZDUBQXGPEM-SNVBAGLBSA-N -1 1 384.404 -0.078 20 0 GBADMM Cc1nnc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC2(C)C)o1 ZINC001571238404 953228812 /nfs/dbraw/zinc/22/88/12/953228812.db2.gz BLYVZDUBQXGPEM-SNVBAGLBSA-N -1 1 384.404 -0.078 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238405 953228723 /nfs/dbraw/zinc/22/87/23/953228723.db2.gz BOMWOOCEKDZWPK-MNOVXSKESA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238405 953228720 /nfs/dbraw/zinc/22/87/20/953228720.db2.gz BOMWOOCEKDZWPK-MNOVXSKESA-N -1 1 384.408 -0.618 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)n1 ZINC001571238406 953229298 /nfs/dbraw/zinc/22/92/98/953229298.db2.gz BRCPINJJUPLLDO-LLVKDONJSA-N -1 1 384.408 -0.873 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)n1 ZINC001571238406 953229294 /nfs/dbraw/zinc/22/92/94/953229294.db2.gz BRCPINJJUPLLDO-LLVKDONJSA-N -1 1 384.408 -0.873 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)Cn3cnnn3)CC2)n1 ZINC001571238407 953229103 /nfs/dbraw/zinc/22/91/03/953229103.db2.gz BRCPINJJUPLLDO-NSHDSACASA-N -1 1 384.408 -0.873 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)Cn3cnnn3)CC2)n1 ZINC001571238407 953229101 /nfs/dbraw/zinc/22/91/01/953229101.db2.gz BRCPINJJUPLLDO-NSHDSACASA-N -1 1 384.408 -0.873 20 0 GBADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571238408 953228756 /nfs/dbraw/zinc/22/87/56/953228756.db2.gz BRTLKBDMXWNVKQ-SECBINFHSA-N -1 1 384.408 -0.541 20 0 GBADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571238408 953228753 /nfs/dbraw/zinc/22/87/53/953228753.db2.gz BRTLKBDMXWNVKQ-SECBINFHSA-N -1 1 384.408 -0.541 20 0 GBADMM CCc1nc(N[C@H]2CCCN(C(=O)c3nnn(C)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571238409 953229207 /nfs/dbraw/zinc/22/92/07/953229207.db2.gz BRTLKBDMXWNVKQ-VIFPVBQESA-N -1 1 384.408 -0.541 20 0 GBADMM CCc1nc(N[C@H]2CCCN(C(=O)c3nnn(C)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571238409 953229206 /nfs/dbraw/zinc/22/92/06/953229206.db2.gz BRTLKBDMXWNVKQ-VIFPVBQESA-N -1 1 384.408 -0.541 20 0 GBADMM COc1nn(C)cc1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238427 953229056 /nfs/dbraw/zinc/22/90/56/953229056.db2.gz CEZJDDNQVBVSPV-INIZCTEOSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1nn(C)cc1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238427 953229055 /nfs/dbraw/zinc/22/90/55/953229055.db2.gz CEZJDDNQVBVSPV-INIZCTEOSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1nn(C)cc1C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238428 953229181 /nfs/dbraw/zinc/22/91/81/953229181.db2.gz CEZJDDNQVBVSPV-MRXNPFEDSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1nn(C)cc1C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238428 953229179 /nfs/dbraw/zinc/22/91/79/953229179.db2.gz CEZJDDNQVBVSPV-MRXNPFEDSA-N -1 1 384.404 -0.202 20 0 GBADMM CCn1nccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001571238435 953229032 /nfs/dbraw/zinc/22/90/32/953229032.db2.gz CKAZTZBSTTVBKU-ZYHUDNBSSA-N -1 1 384.404 -0.493 20 0 GBADMM Cn1cc(C(=O)NC2(C)CCN(c3nccnc3-c3nn[n-]n3)CC2)[nH]c1=O ZINC001571238436 953228693 /nfs/dbraw/zinc/22/86/93/953228693.db2.gz CKRWZNIMYDJUFD-UHFFFAOYSA-N -1 1 384.404 -0.115 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571238441 953228746 /nfs/dbraw/zinc/22/87/46/953228746.db2.gz CNCUJINDIAFVFT-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571238441 953228743 /nfs/dbraw/zinc/22/87/43/953228743.db2.gz CNCUJINDIAFVFT-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571238442 953228851 /nfs/dbraw/zinc/22/88/51/953228851.db2.gz CNCUJINDIAFVFT-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571238442 953228848 /nfs/dbraw/zinc/22/88/48/953228848.db2.gz CNCUJINDIAFVFT-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571238443 953229326 /nfs/dbraw/zinc/22/93/26/953229326.db2.gz CNCUJINDIAFVFT-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571238443 953229323 /nfs/dbraw/zinc/22/93/23/953229323.db2.gz CNCUJINDIAFVFT-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571238444 953229214 /nfs/dbraw/zinc/22/92/14/953229214.db2.gz CNCUJINDIAFVFT-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571238444 953229213 /nfs/dbraw/zinc/22/92/13/953229213.db2.gz CNCUJINDIAFVFT-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM Cn1c(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)c[nH]c1=O ZINC001571238450 953229052 /nfs/dbraw/zinc/22/90/52/953229052.db2.gz CXIZUWKYRHDFRT-LLVKDONJSA-N -1 1 384.404 -0.259 20 0 GBADMM Cn1c(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)c[nH]c1=O ZINC001571238450 953229050 /nfs/dbraw/zinc/22/90/50/953229050.db2.gz CXIZUWKYRHDFRT-LLVKDONJSA-N -1 1 384.404 -0.259 20 0 GBADMM Cn1c(C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)c[nH]c1=O ZINC001571238451 953229115 /nfs/dbraw/zinc/22/91/15/953229115.db2.gz CXIZUWKYRHDFRT-NSHDSACASA-N -1 1 384.404 -0.259 20 0 GBADMM Cn1c(C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)c[nH]c1=O ZINC001571238451 953229113 /nfs/dbraw/zinc/22/91/13/953229113.db2.gz CXIZUWKYRHDFRT-NSHDSACASA-N -1 1 384.404 -0.259 20 0 GBADMM Cc1nonc1CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571238462 953229060 /nfs/dbraw/zinc/22/90/60/953229060.db2.gz DHYBQIWZIJKLQA-UHFFFAOYSA-N -1 1 384.404 -0.337 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571238469 953228911 /nfs/dbraw/zinc/22/89/11/953228911.db2.gz DLYDQLQEALCFCZ-ZJUUUORDSA-N -1 1 384.404 -0.909 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571238469 953228907 /nfs/dbraw/zinc/22/89/07/953228907.db2.gz DLYDQLQEALCFCZ-ZJUUUORDSA-N -1 1 384.404 -0.909 20 0 GBADMM C[C@H](NC(=O)c1nnn(C)n1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571238472 953229881 /nfs/dbraw/zinc/22/98/81/953229881.db2.gz DNONHMUWBXYNGQ-VIFPVBQESA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@H](NC(=O)c1nnn(C)n1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571238472 953229880 /nfs/dbraw/zinc/22/98/80/953229880.db2.gz DNONHMUWBXYNGQ-VIFPVBQESA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@@H](NC(=O)c1nnn(C)n1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238476 953229916 /nfs/dbraw/zinc/22/99/16/953229916.db2.gz DSKCZSWGRIVWRS-NXEZZACHSA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@@H](NC(=O)c1nnn(C)n1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238476 953229914 /nfs/dbraw/zinc/22/99/14/953229914.db2.gz DSKCZSWGRIVWRS-NXEZZACHSA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@H](NC(=O)c1nnn(C)n1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238477 953229992 /nfs/dbraw/zinc/22/99/92/953229992.db2.gz DSKCZSWGRIVWRS-UWVGGRQHSA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@H](NC(=O)c1nnn(C)n1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238477 953229990 /nfs/dbraw/zinc/22/99/90/953229990.db2.gz DSKCZSWGRIVWRS-UWVGGRQHSA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@H](NC(=O)c1nnn(C)n1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238478 953230074 /nfs/dbraw/zinc/23/00/74/953230074.db2.gz DSKCZSWGRIVWRS-VHSXEESVSA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@H](NC(=O)c1nnn(C)n1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238478 953230070 /nfs/dbraw/zinc/23/00/70/953230070.db2.gz DSKCZSWGRIVWRS-VHSXEESVSA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@@H](NC(=O)c1nnn(C)n1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238479 953230247 /nfs/dbraw/zinc/23/02/47/953230247.db2.gz DSKCZSWGRIVWRS-ZJUUUORDSA-N -1 1 384.408 -0.785 20 0 GBADMM C[C@@H](NC(=O)c1nnn(C)n1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238479 953230246 /nfs/dbraw/zinc/23/02/46/953230246.db2.gz DSKCZSWGRIVWRS-ZJUUUORDSA-N -1 1 384.408 -0.785 20 0 GBADMM Cc1[nH]nc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571238501 953229856 /nfs/dbraw/zinc/22/98/56/953229856.db2.gz FNGMARJQVAOPMW-LLVKDONJSA-N -1 1 384.404 -0.050 20 0 GBADMM Cc1[nH]nc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571238501 953229854 /nfs/dbraw/zinc/22/98/54/953229854.db2.gz FNGMARJQVAOPMW-LLVKDONJSA-N -1 1 384.404 -0.050 20 0 GBADMM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571238502 953230255 /nfs/dbraw/zinc/23/02/55/953230255.db2.gz FNGMARJQVAOPMW-NSHDSACASA-N -1 1 384.404 -0.050 20 0 GBADMM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571238502 953230254 /nfs/dbraw/zinc/23/02/54/953230254.db2.gz FNGMARJQVAOPMW-NSHDSACASA-N -1 1 384.404 -0.050 20 0 GBADMM COc1c(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)cnn1C ZINC001571238507 953229806 /nfs/dbraw/zinc/22/98/06/953229806.db2.gz FPOVHXJJSBYHEX-JTQLQIEISA-N -1 1 384.404 -0.202 20 0 GBADMM COc1c(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)cnn1C ZINC001571238507 953229802 /nfs/dbraw/zinc/22/98/02/953229802.db2.gz FPOVHXJJSBYHEX-JTQLQIEISA-N -1 1 384.404 -0.202 20 0 GBADMM COc1c(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)cnn1C ZINC001571238508 953229898 /nfs/dbraw/zinc/22/98/98/953229898.db2.gz FPOVHXJJSBYHEX-SNVBAGLBSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1c(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)cnn1C ZINC001571238508 953229897 /nfs/dbraw/zinc/22/98/97/953229897.db2.gz FPOVHXJJSBYHEX-SNVBAGLBSA-N -1 1 384.404 -0.202 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)CCn1cnnn1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571238509 953229769 /nfs/dbraw/zinc/22/97/69/953229769.db2.gz FQAUWHWURLWNPG-LLVKDONJSA-N -1 1 384.408 -0.839 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)CCn1cnnn1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571238509 953229767 /nfs/dbraw/zinc/22/97/67/953229767.db2.gz FQAUWHWURLWNPG-LLVKDONJSA-N -1 1 384.408 -0.839 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)CCn1cnnn1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571238510 953229877 /nfs/dbraw/zinc/22/98/77/953229877.db2.gz FQAUWHWURLWNPG-NSHDSACASA-N -1 1 384.408 -0.839 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)CCn1cnnn1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571238510 953229876 /nfs/dbraw/zinc/22/98/76/953229876.db2.gz FQAUWHWURLWNPG-NSHDSACASA-N -1 1 384.408 -0.839 20 0 GBADMM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571238512 953230060 /nfs/dbraw/zinc/23/00/60/953230060.db2.gz FROMTIFZERLLKZ-MWLCHTKSSA-N -1 1 384.404 -0.734 20 0 GBADMM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571238512 953230054 /nfs/dbraw/zinc/23/00/54/953230054.db2.gz FROMTIFZERLLKZ-MWLCHTKSSA-N -1 1 384.404 -0.734 20 0 GBADMM Cc1n[nH]cc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571238514 953229860 /nfs/dbraw/zinc/22/98/60/953229860.db2.gz FUDGKQPVHHCLTR-LLVKDONJSA-N -1 1 384.404 -0.286 20 0 GBADMM Cc1n[nH]cc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571238514 953229859 /nfs/dbraw/zinc/22/98/59/953229859.db2.gz FUDGKQPVHHCLTR-LLVKDONJSA-N -1 1 384.404 -0.286 20 0 GBADMM Cc1n[nH]cc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571238515 953230032 /nfs/dbraw/zinc/23/00/32/953230032.db2.gz FUDGKQPVHHCLTR-NSHDSACASA-N -1 1 384.404 -0.286 20 0 GBADMM Cc1n[nH]cc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571238515 953230027 /nfs/dbraw/zinc/23/00/27/953230027.db2.gz FUDGKQPVHHCLTR-NSHDSACASA-N -1 1 384.404 -0.286 20 0 GBADMM CC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571238522 953230003 /nfs/dbraw/zinc/23/00/03/953230003.db2.gz FYMZPKFRNFGTFR-GHMZBOCLSA-N -1 1 384.408 -0.618 20 0 GBADMM CC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571238522 953229999 /nfs/dbraw/zinc/22/99/99/953229999.db2.gz FYMZPKFRNFGTFR-GHMZBOCLSA-N -1 1 384.408 -0.618 20 0 GBADMM CC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571238523 953229909 /nfs/dbraw/zinc/22/99/09/953229909.db2.gz FYMZPKFRNFGTFR-MNOVXSKESA-N -1 1 384.408 -0.618 20 0 GBADMM CC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571238523 953229907 /nfs/dbraw/zinc/22/99/07/953229907.db2.gz FYMZPKFRNFGTFR-MNOVXSKESA-N -1 1 384.408 -0.618 20 0 GBADMM CC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571238524 953230130 /nfs/dbraw/zinc/23/01/30/953230130.db2.gz FYMZPKFRNFGTFR-QWRGUYRKSA-N -1 1 384.408 -0.618 20 0 GBADMM CC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571238524 953230125 /nfs/dbraw/zinc/23/01/25/953230125.db2.gz FYMZPKFRNFGTFR-QWRGUYRKSA-N -1 1 384.408 -0.618 20 0 GBADMM CC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571238525 953229660 /nfs/dbraw/zinc/22/96/60/953229660.db2.gz FYMZPKFRNFGTFR-WDEREUQCSA-N -1 1 384.408 -0.618 20 0 GBADMM CC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571238525 953229656 /nfs/dbraw/zinc/22/96/56/953229656.db2.gz FYMZPKFRNFGTFR-WDEREUQCSA-N -1 1 384.408 -0.618 20 0 GBADMM COc1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)nn1C ZINC001571238534 953230263 /nfs/dbraw/zinc/23/02/63/953230263.db2.gz GFCROSONXSELPN-SNVBAGLBSA-N -1 1 384.404 -0.284 20 0 GBADMM COc1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)nn1C ZINC001571238534 953230261 /nfs/dbraw/zinc/23/02/61/953230261.db2.gz GFCROSONXSELPN-SNVBAGLBSA-N -1 1 384.404 -0.284 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571238541 953229576 /nfs/dbraw/zinc/22/95/76/953229576.db2.gz GMKPWUWFQOFWQS-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571238541 953229571 /nfs/dbraw/zinc/22/95/71/953229571.db2.gz GMKPWUWFQOFWQS-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM Cc1nc(C)c(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)[nH]1 ZINC001571238550 953229490 /nfs/dbraw/zinc/22/94/90/953229490.db2.gz GVIGCPJOXNUIBG-LLVKDONJSA-N -1 1 384.404 -0.368 20 0 GBADMM Cc1nc(C)c(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)[nH]1 ZINC001571238550 953229487 /nfs/dbraw/zinc/22/94/87/953229487.db2.gz GVIGCPJOXNUIBG-LLVKDONJSA-N -1 1 384.404 -0.368 20 0 GBADMM Cc1nc(C)c(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)[nH]1 ZINC001571238551 953229886 /nfs/dbraw/zinc/22/98/86/953229886.db2.gz GVIGCPJOXNUIBG-NSHDSACASA-N -1 1 384.404 -0.368 20 0 GBADMM Cc1nc(C)c(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)[nH]1 ZINC001571238551 953229885 /nfs/dbraw/zinc/22/98/85/953229885.db2.gz GVIGCPJOXNUIBG-NSHDSACASA-N -1 1 384.404 -0.368 20 0 GBADMM Cc1nc[nH]c1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571238557 953230701 /nfs/dbraw/zinc/23/07/01/953230701.db2.gz GYMCZHBJQWOPLL-UHFFFAOYSA-N -1 1 384.404 -0.811 20 0 GBADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)n(C)n1 ZINC001571238565 953230837 /nfs/dbraw/zinc/23/08/37/953230837.db2.gz HDMUFMIUDGWDKN-GWCFXTLKSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)n(C)n1 ZINC001571238565 953230834 /nfs/dbraw/zinc/23/08/34/953230834.db2.gz HDMUFMIUDGWDKN-GWCFXTLKSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)n(C)n1 ZINC001571238566 953230666 /nfs/dbraw/zinc/23/06/66/953230666.db2.gz HDMUFMIUDGWDKN-GXFFZTMASA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)n(C)n1 ZINC001571238566 953230665 /nfs/dbraw/zinc/23/06/65/953230665.db2.gz HDMUFMIUDGWDKN-GXFFZTMASA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)n(C)n1 ZINC001571238567 953230636 /nfs/dbraw/zinc/23/06/36/953230636.db2.gz HDMUFMIUDGWDKN-MFKMUULPSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)n(C)n1 ZINC001571238567 953230635 /nfs/dbraw/zinc/23/06/35/953230635.db2.gz HDMUFMIUDGWDKN-MFKMUULPSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)n(C)n1 ZINC001571238568 953230546 /nfs/dbraw/zinc/23/05/46/953230546.db2.gz HDMUFMIUDGWDKN-ZWNOBZJWSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)n(C)n1 ZINC001571238568 953230541 /nfs/dbraw/zinc/23/05/41/953230541.db2.gz HDMUFMIUDGWDKN-ZWNOBZJWSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1noc(CCC(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238569 953230435 /nfs/dbraw/zinc/23/04/35/953230435.db2.gz HFAWLKWRDKVWMD-MWLCHTKSSA-N -1 1 384.404 -0.338 20 0 GBADMM Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCCO2)n1 ZINC001571238584 953231082 /nfs/dbraw/zinc/23/10/82/953231082.db2.gz HLRCBTXNFACLAV-LLVKDONJSA-N -1 1 384.404 -0.286 20 0 GBADMM Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCCO2)n1 ZINC001571238584 953231080 /nfs/dbraw/zinc/23/10/80/953231080.db2.gz HLRCBTXNFACLAV-LLVKDONJSA-N -1 1 384.404 -0.286 20 0 GBADMM Cc1c[nH]c(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCCO2)n1 ZINC001571238585 953231033 /nfs/dbraw/zinc/23/10/33/953231033.db2.gz HLRCBTXNFACLAV-NSHDSACASA-N -1 1 384.404 -0.286 20 0 GBADMM Cc1c[nH]c(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCCO2)n1 ZINC001571238585 953231032 /nfs/dbraw/zinc/23/10/32/953231032.db2.gz HLRCBTXNFACLAV-NSHDSACASA-N -1 1 384.404 -0.286 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cn(C)c(=O)n3C)C2)n1 ZINC001571238586 953230996 /nfs/dbraw/zinc/23/09/96/953230996.db2.gz HMBPWNSOJHUNOB-SNVBAGLBSA-N -1 1 384.404 -0.989 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cn(C)c(=O)n3C)C2)n1 ZINC001571238586 953230993 /nfs/dbraw/zinc/23/09/93/953230993.db2.gz HMBPWNSOJHUNOB-SNVBAGLBSA-N -1 1 384.404 -0.989 20 0 GBADMM CN(C(=O)Cn1ncnn1)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571238587 953230530 /nfs/dbraw/zinc/23/05/30/953230530.db2.gz HMQWSMYFQQWRHQ-UHFFFAOYSA-N -1 1 384.408 -0.475 20 0 GBADMM CN(C(=O)Cn1ncnn1)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571238587 953230527 /nfs/dbraw/zinc/23/05/27/953230527.db2.gz HMQWSMYFQQWRHQ-UHFFFAOYSA-N -1 1 384.408 -0.475 20 0 GBADMM COc1nn(C)cc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238588 953230632 /nfs/dbraw/zinc/23/06/32/953230632.db2.gz HMZPVZUGFWBVRY-JTQLQIEISA-N -1 1 384.404 -0.345 20 0 GBADMM COc1nn(C)cc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238589 953230575 /nfs/dbraw/zinc/23/05/75/953230575.db2.gz HMZPVZUGFWBVRY-SNVBAGLBSA-N -1 1 384.404 -0.345 20 0 GBADMM CN(C)Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571238593 953230934 /nfs/dbraw/zinc/23/09/34/953230934.db2.gz HPTMYAYAIKEZEX-JTQLQIEISA-N -1 1 384.404 -0.285 20 0 GBADMM CN(C)Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571238594 953230782 /nfs/dbraw/zinc/23/07/82/953230782.db2.gz HPTMYAYAIKEZEX-SNVBAGLBSA-N -1 1 384.404 -0.285 20 0 GBADMM COc1c(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571238597 953230506 /nfs/dbraw/zinc/23/05/06/953230506.db2.gz HSZURNLSTNDBNN-JTQLQIEISA-N -1 1 384.404 -0.250 20 0 GBADMM COc1c(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571238597 953230503 /nfs/dbraw/zinc/23/05/03/953230503.db2.gz HSZURNLSTNDBNN-JTQLQIEISA-N -1 1 384.404 -0.250 20 0 GBADMM COc1c(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571238598 953230697 /nfs/dbraw/zinc/23/06/97/953230697.db2.gz HSZURNLSTNDBNN-SNVBAGLBSA-N -1 1 384.404 -0.250 20 0 GBADMM COc1c(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571238598 953230696 /nfs/dbraw/zinc/23/06/96/953230696.db2.gz HSZURNLSTNDBNN-SNVBAGLBSA-N -1 1 384.404 -0.250 20 0 GBADMM Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n(C)c1=O ZINC001571238599 953231053 /nfs/dbraw/zinc/23/10/53/953231053.db2.gz HWCHXPSNOOTHRW-JTQLQIEISA-N -1 1 384.404 -0.907 20 0 GBADMM Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n(C)c1=O ZINC001571238599 953231049 /nfs/dbraw/zinc/23/10/49/953231049.db2.gz HWCHXPSNOOTHRW-JTQLQIEISA-N -1 1 384.404 -0.907 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n(C)c1=O ZINC001571238600 953230561 /nfs/dbraw/zinc/23/05/61/953230561.db2.gz HWCHXPSNOOTHRW-SNVBAGLBSA-N -1 1 384.404 -0.907 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n(C)c1=O ZINC001571238600 953230556 /nfs/dbraw/zinc/23/05/56/953230556.db2.gz HWCHXPSNOOTHRW-SNVBAGLBSA-N -1 1 384.404 -0.907 20 0 GBADMM CCn1nccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571238602 953230628 /nfs/dbraw/zinc/23/06/28/953230628.db2.gz IEZDVBVTTKHAFS-GWCFXTLKSA-N -1 1 384.404 -0.757 20 0 GBADMM CCn1nccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571238602 953230626 /nfs/dbraw/zinc/23/06/26/953230626.db2.gz IEZDVBVTTKHAFS-GWCFXTLKSA-N -1 1 384.404 -0.757 20 0 GBADMM CCn1nccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571238603 953230689 /nfs/dbraw/zinc/23/06/89/953230689.db2.gz IEZDVBVTTKHAFS-GXFFZTMASA-N -1 1 384.404 -0.757 20 0 GBADMM CCn1nccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571238603 953230688 /nfs/dbraw/zinc/23/06/88/953230688.db2.gz IEZDVBVTTKHAFS-GXFFZTMASA-N -1 1 384.404 -0.757 20 0 GBADMM CCn1nccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571238604 953230710 /nfs/dbraw/zinc/23/07/10/953230710.db2.gz IEZDVBVTTKHAFS-MFKMUULPSA-N -1 1 384.404 -0.757 20 0 GBADMM CCn1nccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571238604 953230708 /nfs/dbraw/zinc/23/07/08/953230708.db2.gz IEZDVBVTTKHAFS-MFKMUULPSA-N -1 1 384.404 -0.757 20 0 GBADMM CCn1nccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571238605 953230650 /nfs/dbraw/zinc/23/06/50/953230650.db2.gz IEZDVBVTTKHAFS-ZWNOBZJWSA-N -1 1 384.404 -0.757 20 0 GBADMM CCn1nccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571238605 953230649 /nfs/dbraw/zinc/23/06/49/953230649.db2.gz IEZDVBVTTKHAFS-ZWNOBZJWSA-N -1 1 384.404 -0.757 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](CNC(=O)c3cn(C)cn3)C2)n1 ZINC001571238607 953230616 /nfs/dbraw/zinc/23/06/16/953230616.db2.gz IFXPXDQWJVINLN-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](CNC(=O)c3cn(C)cn3)C2)n1 ZINC001571238607 953230612 /nfs/dbraw/zinc/23/06/12/953230612.db2.gz IFXPXDQWJVINLN-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](CNC(=O)c3cn(C)cn3)C2)n1 ZINC001571238608 953230642 /nfs/dbraw/zinc/23/06/42/953230642.db2.gz IFXPXDQWJVINLN-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](CNC(=O)c3cn(C)cn3)C2)n1 ZINC001571238608 953230641 /nfs/dbraw/zinc/23/06/41/953230641.db2.gz IFXPXDQWJVINLN-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)Cn1nccc1C ZINC001571238618 953231075 /nfs/dbraw/zinc/23/10/75/953231075.db2.gz IMSCEWGJZDFAKN-CHWSQXEVSA-N -1 1 384.404 -0.818 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)Cn1nccc1C ZINC001571238618 953231073 /nfs/dbraw/zinc/23/10/73/953231073.db2.gz IMSCEWGJZDFAKN-CHWSQXEVSA-N -1 1 384.404 -0.818 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571238619 953230802 /nfs/dbraw/zinc/23/08/02/953230802.db2.gz INLAXOCSWJUJMI-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571238619 953230798 /nfs/dbraw/zinc/23/07/98/953230798.db2.gz INLAXOCSWJUJMI-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571238620 953230926 /nfs/dbraw/zinc/23/09/26/953230926.db2.gz INLAXOCSWJUJMI-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571238620 953230921 /nfs/dbraw/zinc/23/09/21/953230921.db2.gz INLAXOCSWJUJMI-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571238621 953230847 /nfs/dbraw/zinc/23/08/47/953230847.db2.gz INLAXOCSWJUJMI-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571238621 953230845 /nfs/dbraw/zinc/23/08/45/953230845.db2.gz INLAXOCSWJUJMI-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571238622 953230479 /nfs/dbraw/zinc/23/04/79/953230479.db2.gz INLAXOCSWJUJMI-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571238622 953230474 /nfs/dbraw/zinc/23/04/74/953230474.db2.gz INLAXOCSWJUJMI-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM COCCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571238623 953230622 /nfs/dbraw/zinc/23/06/22/953230622.db2.gz IPVGNYKDHFHSOK-GFCCVEGCSA-N -1 1 384.404 -0.174 20 0 GBADMM COCCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571238623 953230620 /nfs/dbraw/zinc/23/06/20/953230620.db2.gz IPVGNYKDHFHSOK-GFCCVEGCSA-N -1 1 384.404 -0.174 20 0 GBADMM COc1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571238628 953231040 /nfs/dbraw/zinc/23/10/40/953231040.db2.gz IQYTZKBRAYDRNA-JTQLQIEISA-N -1 1 384.404 -0.463 20 0 GBADMM COc1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571238629 953230638 /nfs/dbraw/zinc/23/06/38/953230638.db2.gz IQYTZKBRAYDRNA-SNVBAGLBSA-N -1 1 384.404 -0.463 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)CCO2)[nH]n1 ZINC001571238636 953231673 /nfs/dbraw/zinc/23/16/73/953231673.db2.gz IUMYBKLPDGAATI-LLVKDONJSA-N -1 1 384.404 -0.368 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)CCO2)[nH]n1 ZINC001571238636 953231672 /nfs/dbraw/zinc/23/16/72/953231672.db2.gz IUMYBKLPDGAATI-LLVKDONJSA-N -1 1 384.404 -0.368 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)CCO2)[nH]n1 ZINC001571238637 953231469 /nfs/dbraw/zinc/23/14/69/953231469.db2.gz IUMYBKLPDGAATI-NSHDSACASA-N -1 1 384.404 -0.368 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)CCO2)[nH]n1 ZINC001571238637 953231467 /nfs/dbraw/zinc/23/14/67/953231467.db2.gz IUMYBKLPDGAATI-NSHDSACASA-N -1 1 384.404 -0.368 20 0 GBADMM O=C(Cn1cccn1)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238638 953231576 /nfs/dbraw/zinc/23/15/76/953231576.db2.gz IXWKULSNQPWKJN-INIZCTEOSA-N -1 1 384.404 -0.681 20 0 GBADMM O=C(Cn1cccn1)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238638 953231575 /nfs/dbraw/zinc/23/15/75/953231575.db2.gz IXWKULSNQPWKJN-INIZCTEOSA-N -1 1 384.404 -0.681 20 0 GBADMM O=C(Cn1cccn1)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238639 953231419 /nfs/dbraw/zinc/23/14/19/953231419.db2.gz IXWKULSNQPWKJN-MRXNPFEDSA-N -1 1 384.404 -0.681 20 0 GBADMM O=C(Cn1cccn1)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238639 953231417 /nfs/dbraw/zinc/23/14/17/953231417.db2.gz IXWKULSNQPWKJN-MRXNPFEDSA-N -1 1 384.404 -0.681 20 0 GBADMM COc1nn(C)cc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571238641 953231759 /nfs/dbraw/zinc/23/17/59/953231759.db2.gz JEFRSQDEDOGCBS-JTQLQIEISA-N -1 1 384.404 -0.250 20 0 GBADMM COc1nn(C)cc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571238641 953231756 /nfs/dbraw/zinc/23/17/56/953231756.db2.gz JEFRSQDEDOGCBS-JTQLQIEISA-N -1 1 384.404 -0.250 20 0 GBADMM COc1nn(C)cc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571238642 953231633 /nfs/dbraw/zinc/23/16/33/953231633.db2.gz JEFRSQDEDOGCBS-SNVBAGLBSA-N -1 1 384.404 -0.250 20 0 GBADMM COc1nn(C)cc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571238642 953231631 /nfs/dbraw/zinc/23/16/31/953231631.db2.gz JEFRSQDEDOGCBS-SNVBAGLBSA-N -1 1 384.404 -0.250 20 0 GBADMM COC(=O)c1ccc(N2CCC(c3nc(=N)n(C)[nH]3)CC2)c(-c2nn[n-]n2)n1 ZINC001571238647 953231345 /nfs/dbraw/zinc/23/13/45/953231345.db2.gz JJIAVQUMWHOYOP-UHFFFAOYSA-N -1 1 384.404 -0.027 20 0 GBADMM COC(=O)c1ccc(N2CCC(c3nc(=N)n(C)[nH]3)CC2)c(-c2nnn[n-]2)n1 ZINC001571238647 953231344 /nfs/dbraw/zinc/23/13/44/953231344.db2.gz JJIAVQUMWHOYOP-UHFFFAOYSA-N -1 1 384.404 -0.027 20 0 GBADMM COCCn1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238648 953231566 /nfs/dbraw/zinc/23/15/66/953231566.db2.gz JKCNRRIUUHBJIR-LLVKDONJSA-N -1 1 384.404 -0.174 20 0 GBADMM COCCn1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571238648 953231564 /nfs/dbraw/zinc/23/15/64/953231564.db2.gz JKCNRRIUUHBJIR-LLVKDONJSA-N -1 1 384.404 -0.174 20 0 GBADMM COCCn1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238649 953231393 /nfs/dbraw/zinc/23/13/93/953231393.db2.gz JKCNRRIUUHBJIR-NSHDSACASA-N -1 1 384.404 -0.174 20 0 GBADMM COCCn1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571238649 953231392 /nfs/dbraw/zinc/23/13/92/953231392.db2.gz JKCNRRIUUHBJIR-NSHDSACASA-N -1 1 384.404 -0.174 20 0 GBADMM Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2O)n1 ZINC001571238652 953231723 /nfs/dbraw/zinc/23/17/23/953231723.db2.gz JMISZKPHBHYXSI-CMPLNLGQSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2O)n1 ZINC001571238652 953231721 /nfs/dbraw/zinc/23/17/21/953231721.db2.gz JMISZKPHBHYXSI-CMPLNLGQSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2O)n1 ZINC001571238653 953231438 /nfs/dbraw/zinc/23/14/38/953231438.db2.gz JMISZKPHBHYXSI-JQWIXIFHSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2O)n1 ZINC001571238653 953231436 /nfs/dbraw/zinc/23/14/36/953231436.db2.gz JMISZKPHBHYXSI-JQWIXIFHSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2O)n1 ZINC001571238654 953231315 /nfs/dbraw/zinc/23/13/15/953231315.db2.gz JMISZKPHBHYXSI-PWSUYJOCSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2O)n1 ZINC001571238654 953231312 /nfs/dbraw/zinc/23/13/12/953231312.db2.gz JMISZKPHBHYXSI-PWSUYJOCSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2O)n1 ZINC001571238655 953231295 /nfs/dbraw/zinc/23/12/95/953231295.db2.gz JMISZKPHBHYXSI-ZYHUDNBSSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2O)n1 ZINC001571238655 953231292 /nfs/dbraw/zinc/23/12/92/953231292.db2.gz JMISZKPHBHYXSI-ZYHUDNBSSA-N -1 1 384.404 -0.634 20 0 GBADMM Cn1c(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]c1=O ZINC001571238659 953231740 /nfs/dbraw/zinc/23/17/40/953231740.db2.gz JOTUKAXWONAVJQ-JTQLQIEISA-N -1 1 384.404 -0.518 20 0 GBADMM Cn1c(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]c1=O ZINC001571238660 953231570 /nfs/dbraw/zinc/23/15/70/953231570.db2.gz JOTUKAXWONAVJQ-SNVBAGLBSA-N -1 1 384.404 -0.518 20 0 GBADMM Cc1n[nH]c(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)c1[O-] ZINC001571238669 953231734 /nfs/dbraw/zinc/23/17/34/953231734.db2.gz JRXUPAGFZYYAML-UHFFFAOYSA-N -1 1 384.404 -0.031 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)Cn2cnnn2)n1 ZINC001571238670 953231432 /nfs/dbraw/zinc/23/14/32/953231432.db2.gz JTCLWKWAZIIXOY-LLVKDONJSA-N -1 1 384.408 -0.921 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)Cn2cnnn2)n1 ZINC001571238670 953231430 /nfs/dbraw/zinc/23/14/30/953231430.db2.gz JTCLWKWAZIIXOY-LLVKDONJSA-N -1 1 384.408 -0.921 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)Cn2cnnn2)n1 ZINC001571238671 953231827 /nfs/dbraw/zinc/23/18/27/953231827.db2.gz JTCLWKWAZIIXOY-NSHDSACASA-N -1 1 384.408 -0.921 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)Cn2cnnn2)n1 ZINC001571238671 953231826 /nfs/dbraw/zinc/23/18/26/953231826.db2.gz JTCLWKWAZIIXOY-NSHDSACASA-N -1 1 384.408 -0.921 20 0 GBADMM Cc1nc[nH]c1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571238676 953231406 /nfs/dbraw/zinc/23/14/06/953231406.db2.gz JXTKXTLMEAOYBG-CMPLNLGQSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc[nH]c1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571238676 953231405 /nfs/dbraw/zinc/23/14/05/953231405.db2.gz JXTKXTLMEAOYBG-CMPLNLGQSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc[nH]c1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571238677 953231488 /nfs/dbraw/zinc/23/14/88/953231488.db2.gz JXTKXTLMEAOYBG-JQWIXIFHSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc[nH]c1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571238677 953231486 /nfs/dbraw/zinc/23/14/86/953231486.db2.gz JXTKXTLMEAOYBG-JQWIXIFHSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571238678 953231531 /nfs/dbraw/zinc/23/15/31/953231531.db2.gz JXTKXTLMEAOYBG-PWSUYJOCSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571238678 953231530 /nfs/dbraw/zinc/23/15/30/953231530.db2.gz JXTKXTLMEAOYBG-PWSUYJOCSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571238679 953231775 /nfs/dbraw/zinc/23/17/75/953231775.db2.gz JXTKXTLMEAOYBG-ZYHUDNBSSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571238679 953231769 /nfs/dbraw/zinc/23/17/69/953231769.db2.gz JXTKXTLMEAOYBG-ZYHUDNBSSA-N -1 1 384.404 -0.634 20 0 GBADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC001571238680 953231847 /nfs/dbraw/zinc/23/18/47/953231847.db2.gz JYNAXYWLDWKWDR-UHFFFAOYSA-N -1 1 384.404 -0.163 20 0 GBADMM COCCn1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238686 953231664 /nfs/dbraw/zinc/23/16/64/953231664.db2.gz KFFUTOAFUJOIRH-LLVKDONJSA-N -1 1 384.404 -0.492 20 0 GBADMM COCCn1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571238686 953231660 /nfs/dbraw/zinc/23/16/60/953231660.db2.gz KFFUTOAFUJOIRH-LLVKDONJSA-N -1 1 384.404 -0.492 20 0 GBADMM COCCn1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238687 953231583 /nfs/dbraw/zinc/23/15/83/953231583.db2.gz KFFUTOAFUJOIRH-NSHDSACASA-N -1 1 384.404 -0.492 20 0 GBADMM COCCn1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571238687 953231582 /nfs/dbraw/zinc/23/15/82/953231582.db2.gz KFFUTOAFUJOIRH-NSHDSACASA-N -1 1 384.404 -0.492 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001571238689 953231519 /nfs/dbraw/zinc/23/15/19/953231519.db2.gz KHZGVQZPJMHKMT-GHMZBOCLSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001571238689 953231518 /nfs/dbraw/zinc/23/15/18/953231518.db2.gz KHZGVQZPJMHKMT-GHMZBOCLSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001571238690 953231494 /nfs/dbraw/zinc/23/14/94/953231494.db2.gz KHZGVQZPJMHKMT-MNOVXSKESA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001571238690 953231493 /nfs/dbraw/zinc/23/14/93/953231493.db2.gz KHZGVQZPJMHKMT-MNOVXSKESA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001571238691 953231626 /nfs/dbraw/zinc/23/16/26/953231626.db2.gz KHZGVQZPJMHKMT-QWRGUYRKSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001571238691 953231623 /nfs/dbraw/zinc/23/16/23/953231623.db2.gz KHZGVQZPJMHKMT-QWRGUYRKSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001571238692 953231276 /nfs/dbraw/zinc/23/12/76/953231276.db2.gz KHZGVQZPJMHKMT-WDEREUQCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001571238692 953231273 /nfs/dbraw/zinc/23/12/73/953231273.db2.gz KHZGVQZPJMHKMT-WDEREUQCSA-N -1 1 384.408 -0.618 20 0 GBADMM Cn1c(=O)[nH]c(N2CCC(c3nnc4n3CCC4)CC2)c(-c2nn[n-]n2)c1=O ZINC001571238693 953231536 /nfs/dbraw/zinc/23/15/36/953231536.db2.gz KJEJUSMLXHZQHL-UHFFFAOYSA-N -1 1 384.404 -0.825 20 0 GBADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCn1cnnn1 ZINC001571238695 953231381 /nfs/dbraw/zinc/23/13/81/953231381.db2.gz KJQGXEDZASFGFA-GHMZBOCLSA-N -1 1 384.408 -0.475 20 0 GBADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCn1cnnn1 ZINC001571238695 953231378 /nfs/dbraw/zinc/23/13/78/953231378.db2.gz KJQGXEDZASFGFA-GHMZBOCLSA-N -1 1 384.408 -0.475 20 0 GBADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCn1cnnn1 ZINC001571238696 953231463 /nfs/dbraw/zinc/23/14/63/953231463.db2.gz KJQGXEDZASFGFA-MNOVXSKESA-N -1 1 384.408 -0.475 20 0 GBADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCn1cnnn1 ZINC001571238696 953231462 /nfs/dbraw/zinc/23/14/62/953231462.db2.gz KJQGXEDZASFGFA-MNOVXSKESA-N -1 1 384.408 -0.475 20 0 GBADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCn1cnnn1 ZINC001571238697 953231426 /nfs/dbraw/zinc/23/14/26/953231426.db2.gz KJQGXEDZASFGFA-QWRGUYRKSA-N -1 1 384.408 -0.475 20 0 GBADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCn1cnnn1 ZINC001571238697 953231423 /nfs/dbraw/zinc/23/14/23/953231423.db2.gz KJQGXEDZASFGFA-QWRGUYRKSA-N -1 1 384.408 -0.475 20 0 GBADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCn1cnnn1 ZINC001571238698 953231474 /nfs/dbraw/zinc/23/14/74/953231474.db2.gz KJQGXEDZASFGFA-WDEREUQCSA-N -1 1 384.408 -0.475 20 0 GBADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCn1cnnn1 ZINC001571238698 953231473 /nfs/dbraw/zinc/23/14/73/953231473.db2.gz KJQGXEDZASFGFA-WDEREUQCSA-N -1 1 384.408 -0.475 20 0 GBADMM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571238706 953231262 /nfs/dbraw/zinc/23/12/62/953231262.db2.gz KQJHHTQCKXBJJU-UHFFFAOYSA-N -1 1 384.404 -0.163 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1n[nH]c(C)c1C ZINC001571238707 953231458 /nfs/dbraw/zinc/23/14/58/953231458.db2.gz KRFLWBCVLNSDAT-VXGBXAGGSA-N -1 1 384.404 -0.370 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1n[nH]c(C)c1C ZINC001571238707 953231456 /nfs/dbraw/zinc/23/14/56/953231456.db2.gz KRFLWBCVLNSDAT-VXGBXAGGSA-N -1 1 384.404 -0.370 20 0 GBADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC001571238714 953232623 /nfs/dbraw/zinc/23/26/23/953232623.db2.gz KSEYVYUBCYIJID-LLVKDONJSA-N -1 1 384.408 -0.936 20 0 GBADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC001571238714 953232621 /nfs/dbraw/zinc/23/26/21/953232621.db2.gz KSEYVYUBCYIJID-LLVKDONJSA-N -1 1 384.408 -0.936 20 0 GBADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC001571238715 953232415 /nfs/dbraw/zinc/23/24/15/953232415.db2.gz KSEYVYUBCYIJID-NSHDSACASA-N -1 1 384.408 -0.936 20 0 GBADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC001571238715 953232413 /nfs/dbraw/zinc/23/24/13/953232413.db2.gz KSEYVYUBCYIJID-NSHDSACASA-N -1 1 384.408 -0.936 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)n1 ZINC001571238726 953232288 /nfs/dbraw/zinc/23/22/88/953232288.db2.gz LPXFYRYMSZXUBX-JTQLQIEISA-N -1 1 384.404 -0.022 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)n1 ZINC001571238727 953232687 /nfs/dbraw/zinc/23/26/87/953232687.db2.gz LPXFYRYMSZXUBX-SNVBAGLBSA-N -1 1 384.404 -0.022 20 0 GBADMM COc1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571238731 953232364 /nfs/dbraw/zinc/23/23/64/953232364.db2.gz LRROCLGLWLGGHE-GXSJLCMTSA-N -1 1 384.404 -0.464 20 0 GBADMM COc1nn(C)cc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571238732 953232392 /nfs/dbraw/zinc/23/23/92/953232392.db2.gz LRROCLGLWLGGHE-KOLCDFICSA-N -1 1 384.404 -0.464 20 0 GBADMM COc1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571238733 953232429 /nfs/dbraw/zinc/23/24/29/953232429.db2.gz LRROCLGLWLGGHE-MWLCHTKSSA-N -1 1 384.404 -0.464 20 0 GBADMM COc1nn(C)cc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571238734 953232452 /nfs/dbraw/zinc/23/24/52/953232452.db2.gz LRROCLGLWLGGHE-ONGXEEELSA-N -1 1 384.404 -0.464 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)c3nnn(C)n3)CC2)n1 ZINC001571238737 953232389 /nfs/dbraw/zinc/23/23/89/953232389.db2.gz LTMKWBOXNXHUGV-UHFFFAOYSA-N -1 1 384.408 -0.859 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)c3nnn(C)n3)CC2)n1 ZINC001571238737 953232387 /nfs/dbraw/zinc/23/23/87/953232387.db2.gz LTMKWBOXNXHUGV-UHFFFAOYSA-N -1 1 384.408 -0.859 20 0 GBADMM Cn1nnc(C(=O)N2CCC(CCNc3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001571238738 953232337 /nfs/dbraw/zinc/23/23/37/953232337.db2.gz LVLQISSIVDVVQQ-UHFFFAOYSA-N -1 1 384.408 -0.465 20 0 GBADMM Cn1nnc(C(=O)N2CCC(CCNc3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001571238738 953232335 /nfs/dbraw/zinc/23/23/35/953232335.db2.gz LVLQISSIVDVVQQ-UHFFFAOYSA-N -1 1 384.408 -0.465 20 0 GBADMM COc1c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571238741 953232495 /nfs/dbraw/zinc/23/24/95/953232495.db2.gz LZAKNLMVRDDGBB-SNVBAGLBSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571238741 953232491 /nfs/dbraw/zinc/23/24/91/953232491.db2.gz LZAKNLMVRDDGBB-SNVBAGLBSA-N -1 1 384.404 -0.202 20 0 GBADMM Cc1cn(C)nc1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571238759 953232343 /nfs/dbraw/zinc/23/23/43/953232343.db2.gz MGMZPYXQODZPOO-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cn(C)nc1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571238759 953232340 /nfs/dbraw/zinc/23/23/40/953232340.db2.gz MGMZPYXQODZPOO-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cn(C)nc1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571238760 953232003 /nfs/dbraw/zinc/23/20/03/953232003.db2.gz MGMZPYXQODZPOO-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cn(C)nc1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571238760 953232001 /nfs/dbraw/zinc/23/20/01/953232001.db2.gz MGMZPYXQODZPOO-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571238763 953232324 /nfs/dbraw/zinc/23/23/24/953232324.db2.gz MJLOEVUKKGJIBN-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571238763 953232321 /nfs/dbraw/zinc/23/23/21/953232321.db2.gz MJLOEVUKKGJIBN-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571238764 953232713 /nfs/dbraw/zinc/23/27/13/953232713.db2.gz MJLOEVUKKGJIBN-UWVGGRQHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571238764 953232706 /nfs/dbraw/zinc/23/27/06/953232706.db2.gz MJLOEVUKKGJIBN-UWVGGRQHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571238765 953232298 /nfs/dbraw/zinc/23/22/98/953232298.db2.gz MJLOEVUKKGJIBN-VHSXEESVSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571238765 953232295 /nfs/dbraw/zinc/23/22/95/953232295.db2.gz MJLOEVUKKGJIBN-VHSXEESVSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571238766 953232066 /nfs/dbraw/zinc/23/20/66/953232066.db2.gz MJLOEVUKKGJIBN-ZJUUUORDSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571238766 953232064 /nfs/dbraw/zinc/23/20/64/953232064.db2.gz MJLOEVUKKGJIBN-ZJUUUORDSA-N -1 1 384.408 -0.610 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2CNC(=O)c2cncn2C)n1 ZINC001571238767 953232604 /nfs/dbraw/zinc/23/26/04/953232604.db2.gz MLNFBCHNKGLMIH-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@H]2CNC(=O)c2cncn2C)n1 ZINC001571238767 953232602 /nfs/dbraw/zinc/23/26/02/953232602.db2.gz MLNFBCHNKGLMIH-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2CNC(=O)c2cncn2C)n1 ZINC001571238769 953232633 /nfs/dbraw/zinc/23/26/33/953232633.db2.gz MLNFBCHNKGLMIH-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2CNC(=O)c2cncn2C)n1 ZINC001571238769 953232632 /nfs/dbraw/zinc/23/26/32/953232632.db2.gz MLNFBCHNKGLMIH-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1nc[nH]c1C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238782 953232269 /nfs/dbraw/zinc/23/22/69/953232269.db2.gz MNLWVUUMKAWJBV-INIZCTEOSA-N -1 1 384.404 -0.811 20 0 GBADMM Cc1nc[nH]c1C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238784 953232574 /nfs/dbraw/zinc/23/25/74/953232574.db2.gz MNLWVUUMKAWJBV-MRXNPFEDSA-N -1 1 384.404 -0.811 20 0 GBADMM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571238786 953231996 /nfs/dbraw/zinc/23/19/96/953231996.db2.gz MOYZQFYGLWEZBK-MWLCHTKSSA-N -1 1 384.404 -0.734 20 0 GBADMM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571238786 953231995 /nfs/dbraw/zinc/23/19/95/953231995.db2.gz MOYZQFYGLWEZBK-MWLCHTKSSA-N -1 1 384.404 -0.734 20 0 GBADMM Cn1cncc1C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571238800 953233090 /nfs/dbraw/zinc/23/30/90/953233090.db2.gz MXWQQAVKACOLFX-UHFFFAOYSA-N -1 1 384.404 -0.531 20 0 GBADMM Cn1cncc1C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571238800 953233087 /nfs/dbraw/zinc/23/30/87/953233087.db2.gz MXWQQAVKACOLFX-UHFFFAOYSA-N -1 1 384.404 -0.531 20 0 GBADMM CN(CC1CCN(C(=O)c2nnn(C)n2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571238805 953233098 /nfs/dbraw/zinc/23/30/98/953233098.db2.gz MZSVRGXVRWBFSA-UHFFFAOYSA-N -1 1 384.408 -0.831 20 0 GBADMM CN(CC1CCN(C(=O)c2nnn(C)n2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571238805 953233095 /nfs/dbraw/zinc/23/30/95/953233095.db2.gz MZSVRGXVRWBFSA-UHFFFAOYSA-N -1 1 384.408 -0.831 20 0 GBADMM C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571238824 953232838 /nfs/dbraw/zinc/23/28/38/953232838.db2.gz NBYCWUXKVKWABX-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571238824 953232834 /nfs/dbraw/zinc/23/28/34/953232834.db2.gz NBYCWUXKVKWABX-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571238828 953233536 /nfs/dbraw/zinc/23/35/36/953233536.db2.gz NEFLZRXYQYRRAU-PBINXNQUSA-N -1 1 384.404 -0.056 20 0 GBADMM Cc1nonc1CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571238830 953233207 /nfs/dbraw/zinc/23/32/07/953233207.db2.gz NEFYGASNXIOAMQ-NSHDSACASA-N -1 1 384.404 -0.016 20 0 GBADMM Cc1nonc1CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571238830 953233204 /nfs/dbraw/zinc/23/32/04/953233204.db2.gz NEFYGASNXIOAMQ-NSHDSACASA-N -1 1 384.404 -0.016 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)c3nnn(C)n3)CC2)n1 ZINC001571238835 953233166 /nfs/dbraw/zinc/23/31/66/953233166.db2.gz NEPZSJXIYGDTKD-UHFFFAOYSA-N -1 1 384.408 -0.405 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)c3nnn(C)n3)CC2)n1 ZINC001571238835 953233164 /nfs/dbraw/zinc/23/31/64/953233164.db2.gz NEPZSJXIYGDTKD-UHFFFAOYSA-N -1 1 384.408 -0.405 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cn(C)cn3)[C@@H](O)C2)n1 ZINC001571238840 953232933 /nfs/dbraw/zinc/23/29/33/953232933.db2.gz NGTPZSISVJNMBV-GWCFXTLKSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cn(C)cn3)[C@@H](O)C2)n1 ZINC001571238840 953232930 /nfs/dbraw/zinc/23/29/30/953232930.db2.gz NGTPZSISVJNMBV-GWCFXTLKSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cn(C)cn3)[C@H](O)C2)n1 ZINC001571238842 953233059 /nfs/dbraw/zinc/23/30/59/953233059.db2.gz NGTPZSISVJNMBV-GXFFZTMASA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cn(C)cn3)[C@H](O)C2)n1 ZINC001571238842 953233057 /nfs/dbraw/zinc/23/30/57/953233057.db2.gz NGTPZSISVJNMBV-GXFFZTMASA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cn(C)cn3)[C@@H](O)C2)n1 ZINC001571238844 953233341 /nfs/dbraw/zinc/23/33/41/953233341.db2.gz NGTPZSISVJNMBV-MFKMUULPSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cn(C)cn3)[C@@H](O)C2)n1 ZINC001571238844 953233336 /nfs/dbraw/zinc/23/33/36/953233336.db2.gz NGTPZSISVJNMBV-MFKMUULPSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cn(C)cn3)[C@H](O)C2)n1 ZINC001571238846 953233578 /nfs/dbraw/zinc/23/35/78/953233578.db2.gz NGTPZSISVJNMBV-ZWNOBZJWSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cn(C)cn3)[C@H](O)C2)n1 ZINC001571238846 953233576 /nfs/dbraw/zinc/23/35/76/953233576.db2.gz NGTPZSISVJNMBV-ZWNOBZJWSA-N -1 1 384.404 -0.932 20 0 GBADMM Cc1cc(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n(C)n1 ZINC001571238848 953233307 /nfs/dbraw/zinc/23/33/07/953233307.db2.gz NHBSKHVOQKSTOQ-LLVKDONJSA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1cc(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n(C)n1 ZINC001571238848 953233303 /nfs/dbraw/zinc/23/33/03/953233303.db2.gz NHBSKHVOQKSTOQ-LLVKDONJSA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1cc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n(C)n1 ZINC001571238850 953233368 /nfs/dbraw/zinc/23/33/68/953233368.db2.gz NHBSKHVOQKSTOQ-NSHDSACASA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1cc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n(C)n1 ZINC001571238850 953233366 /nfs/dbraw/zinc/23/33/66/953233366.db2.gz NHBSKHVOQKSTOQ-NSHDSACASA-N -1 1 384.404 -0.348 20 0 GBADMM Cn1cncc1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001571238854 953233009 /nfs/dbraw/zinc/23/30/09/953233009.db2.gz NNQKUBDZSMKNLP-LLVKDONJSA-N -1 1 384.404 -0.585 20 0 GBADMM Cn1cncc1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001571238854 953233006 /nfs/dbraw/zinc/23/30/06/953233006.db2.gz NNQKUBDZSMKNLP-LLVKDONJSA-N -1 1 384.404 -0.585 20 0 GBADMM Cn1cncc1C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001571238855 953233021 /nfs/dbraw/zinc/23/30/21/953233021.db2.gz NNQKUBDZSMKNLP-NSHDSACASA-N -1 1 384.404 -0.585 20 0 GBADMM Cn1cncc1C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001571238855 953233018 /nfs/dbraw/zinc/23/30/18/953233018.db2.gz NNQKUBDZSMKNLP-NSHDSACASA-N -1 1 384.404 -0.585 20 0 GBADMM O=C(Cn1cccn1)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571238857 953233555 /nfs/dbraw/zinc/23/35/55/953233555.db2.gz NTFSRKOGOUWITP-UHFFFAOYSA-N -1 1 384.404 -0.681 20 0 GBADMM O=C(Cn1cccn1)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571238857 953233553 /nfs/dbraw/zinc/23/35/53/953233553.db2.gz NTFSRKOGOUWITP-UHFFFAOYSA-N -1 1 384.404 -0.681 20 0 GBADMM O=C(CCn1cnnn1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571238862 953233031 /nfs/dbraw/zinc/23/30/31/953233031.db2.gz NUVZTVVVTAPDLH-UHFFFAOYSA-N -1 1 384.408 -0.616 20 0 GBADMM O=C(CCn1cnnn1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571238862 953233028 /nfs/dbraw/zinc/23/30/28/953233028.db2.gz NUVZTVVVTAPDLH-UHFFFAOYSA-N -1 1 384.408 -0.616 20 0 GBADMM Cc1nc[nH]c1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001571238865 953233182 /nfs/dbraw/zinc/23/31/82/953233182.db2.gz NVVRVFCDJCBRFV-LLVKDONJSA-N -1 1 384.404 -0.286 20 0 GBADMM Cc1nc[nH]c1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001571238867 953232816 /nfs/dbraw/zinc/23/28/16/953232816.db2.gz NVVRVFCDJCBRFV-NSHDSACASA-N -1 1 384.404 -0.286 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)n1C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571238873 953233843 /nfs/dbraw/zinc/23/38/43/953233843.db2.gz OAKGIXAFQGHOHX-JTQLQIEISA-N -1 1 384.404 -0.163 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)c1c[nH]c(=O)n1C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571238875 953233871 /nfs/dbraw/zinc/23/38/71/953233871.db2.gz OAKGIXAFQGHOHX-SNVBAGLBSA-N -1 1 384.404 -0.163 20 0 GBADMM Cn1cc(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571238903 953234076 /nfs/dbraw/zinc/23/40/76/953234076.db2.gz OIOKOLKIPJUBPZ-GFCCVEGCSA-N -1 1 384.404 -0.845 20 0 GBADMM Cn1cc(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571238904 953234341 /nfs/dbraw/zinc/23/43/41/953234341.db2.gz OIOKOLKIPJUBPZ-LBPRGKRZSA-N -1 1 384.404 -0.845 20 0 GBADMM COc1cc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571238912 953233883 /nfs/dbraw/zinc/23/38/83/953233883.db2.gz OLDOIFYWILENDZ-UHFFFAOYSA-N -1 1 384.404 -0.559 20 0 GBADMM O=C(Cn1ncnn1)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571238969 953234708 /nfs/dbraw/zinc/23/47/08/953234708.db2.gz DHRMGDLWZHDLFX-UHFFFAOYSA-N -1 1 384.408 -0.616 20 0 GBADMM O=C(Cn1ncnn1)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571238969 953234706 /nfs/dbraw/zinc/23/47/06/953234706.db2.gz DHRMGDLWZHDLFX-UHFFFAOYSA-N -1 1 384.408 -0.616 20 0 GBADMM Cn1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCCO2)n1 ZINC001571238970 953234541 /nfs/dbraw/zinc/23/45/41/953234541.db2.gz OSSHDXWQGIIMPG-LLVKDONJSA-N -1 1 384.404 -0.585 20 0 GBADMM Cn1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCCO2)n1 ZINC001571238970 953234536 /nfs/dbraw/zinc/23/45/36/953234536.db2.gz OSSHDXWQGIIMPG-LLVKDONJSA-N -1 1 384.404 -0.585 20 0 GBADMM Cn1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCCO2)n1 ZINC001571238973 953235066 /nfs/dbraw/zinc/23/50/66/953235066.db2.gz OSSHDXWQGIIMPG-NSHDSACASA-N -1 1 384.404 -0.585 20 0 GBADMM Cn1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCCO2)n1 ZINC001571238973 953235063 /nfs/dbraw/zinc/23/50/63/953235063.db2.gz OSSHDXWQGIIMPG-NSHDSACASA-N -1 1 384.404 -0.585 20 0 GBADMM Cc1nonc1CC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238977 953235073 /nfs/dbraw/zinc/23/50/73/953235073.db2.gz OTQOMPWYZSAECG-LLVKDONJSA-N -1 1 384.404 -0.337 20 0 GBADMM Cc1nonc1CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238979 953234466 /nfs/dbraw/zinc/23/44/66/953234466.db2.gz OTQOMPWYZSAECG-NSHDSACASA-N -1 1 384.404 -0.337 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238989 953234529 /nfs/dbraw/zinc/23/45/29/953234529.db2.gz OYJARCAXNFKYAQ-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238989 953234525 /nfs/dbraw/zinc/23/45/25/953234525.db2.gz OYJARCAXNFKYAQ-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238992 953234943 /nfs/dbraw/zinc/23/49/43/953234943.db2.gz OYJARCAXNFKYAQ-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238992 953234939 /nfs/dbraw/zinc/23/49/39/953234939.db2.gz OYJARCAXNFKYAQ-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238995 953234745 /nfs/dbraw/zinc/23/47/45/953234745.db2.gz OYJARCAXNFKYAQ-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238995 953234743 /nfs/dbraw/zinc/23/47/43/953234743.db2.gz OYJARCAXNFKYAQ-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238998 953234722 /nfs/dbraw/zinc/23/47/22/953234722.db2.gz OYJARCAXNFKYAQ-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238998 953234720 /nfs/dbraw/zinc/23/47/20/953234720.db2.gz OYJARCAXNFKYAQ-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571239038 953235922 /nfs/dbraw/zinc/23/59/22/953235922.db2.gz PHMRYQRHPOKQJD-UHFFFAOYSA-N -1 1 384.408 -0.885 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571239038 953235920 /nfs/dbraw/zinc/23/59/20/953235920.db2.gz PHMRYQRHPOKQJD-UHFFFAOYSA-N -1 1 384.408 -0.885 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571239060 953235579 /nfs/dbraw/zinc/23/55/79/953235579.db2.gz PTRBKSNOJXQXIT-VIFPVBQESA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571239060 953235575 /nfs/dbraw/zinc/23/55/75/953235575.db2.gz PTRBKSNOJXQXIT-VIFPVBQESA-N -1 1 384.408 -0.275 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571239061 953235532 /nfs/dbraw/zinc/23/55/32/953235532.db2.gz PUFGPQMTAWWOMP-GXSJLCMTSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571239061 953235530 /nfs/dbraw/zinc/23/55/30/953235530.db2.gz PUFGPQMTAWWOMP-GXSJLCMTSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571239063 953235942 /nfs/dbraw/zinc/23/59/42/953235942.db2.gz PUFGPQMTAWWOMP-KOLCDFICSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571239063 953235939 /nfs/dbraw/zinc/23/59/39/953235939.db2.gz PUFGPQMTAWWOMP-KOLCDFICSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571239065 953235821 /nfs/dbraw/zinc/23/58/21/953235821.db2.gz PUFGPQMTAWWOMP-MWLCHTKSSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571239065 953235818 /nfs/dbraw/zinc/23/58/18/953235818.db2.gz PUFGPQMTAWWOMP-MWLCHTKSSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571239067 953235952 /nfs/dbraw/zinc/23/59/52/953235952.db2.gz PUFGPQMTAWWOMP-ONGXEEELSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571239067 953235951 /nfs/dbraw/zinc/23/59/51/953235951.db2.gz PUFGPQMTAWWOMP-ONGXEEELSA-N -1 1 384.408 -0.467 20 0 GBADMM Cn1c(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)c[nH]c1=O ZINC001571239089 953235859 /nfs/dbraw/zinc/23/58/59/953235859.db2.gz QBVKEYOEJBMSNU-JTQLQIEISA-N -1 1 384.404 -0.115 20 0 GBADMM Cn1c(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)c[nH]c1=O ZINC001571239089 953235856 /nfs/dbraw/zinc/23/58/56/953235856.db2.gz QBVKEYOEJBMSNU-JTQLQIEISA-N -1 1 384.404 -0.115 20 0 GBADMM Cn1c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)c[nH]c1=O ZINC001571239090 953235417 /nfs/dbraw/zinc/23/54/17/953235417.db2.gz QBVKEYOEJBMSNU-SNVBAGLBSA-N -1 1 384.404 -0.115 20 0 GBADMM Cn1c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)c[nH]c1=O ZINC001571239090 953235412 /nfs/dbraw/zinc/23/54/12/953235412.db2.gz QBVKEYOEJBMSNU-SNVBAGLBSA-N -1 1 384.404 -0.115 20 0 GBADMM COc1cc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nn1C ZINC001571239110 953235794 /nfs/dbraw/zinc/23/57/94/953235794.db2.gz QRKQIJDWSIEPBM-UHFFFAOYSA-N -1 1 384.404 -0.202 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571239111 953235437 /nfs/dbraw/zinc/23/54/37/953235437.db2.gz QSAPJQWTKXTFQK-PSASIEDQSA-N -1 1 384.404 -0.104 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571239111 953235435 /nfs/dbraw/zinc/23/54/35/953235435.db2.gz QSAPJQWTKXTFQK-PSASIEDQSA-N -1 1 384.404 -0.104 20 0 GBADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cn2cnnn2)CC1 ZINC001571239113 953236387 /nfs/dbraw/zinc/23/63/87/953236387.db2.gz QUILILMEHNLOSE-UHFFFAOYSA-N -1 1 384.408 -0.474 20 0 GBADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cn2cnnn2)CC1 ZINC001571239113 953236385 /nfs/dbraw/zinc/23/63/85/953236385.db2.gz QUILILMEHNLOSE-UHFFFAOYSA-N -1 1 384.408 -0.474 20 0 GBADMM O=C(Cn1ccnc1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239119 953236582 /nfs/dbraw/zinc/23/65/82/953236582.db2.gz QVNNFXUIGJMGJJ-INIZCTEOSA-N -1 1 384.404 -0.681 20 0 GBADMM O=C(Cn1ccnc1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239120 953236277 /nfs/dbraw/zinc/23/62/77/953236277.db2.gz QVNNFXUIGJMGJJ-MRXNPFEDSA-N -1 1 384.404 -0.681 20 0 GBADMM Cc1cnn(C)c1C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571239123 953236515 /nfs/dbraw/zinc/23/65/15/953236515.db2.gz QVVRKIZJGXQTEZ-LLVKDONJSA-N -1 1 384.404 -0.926 20 0 GBADMM Cc1cnn(C)c1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571239125 953236304 /nfs/dbraw/zinc/23/63/04/953236304.db2.gz QVVRKIZJGXQTEZ-NSHDSACASA-N -1 1 384.404 -0.926 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1n[nH]c(C)c1C ZINC001571239132 953236475 /nfs/dbraw/zinc/23/64/75/953236475.db2.gz QXDOCQWHYNAWJT-VXGBXAGGSA-N -1 1 384.404 -0.370 20 0 GBADMM COCc1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571239133 953236768 /nfs/dbraw/zinc/23/67/68/953236768.db2.gz QXSBNLNKFRNQJO-MGCOHNPYSA-N -1 1 384.404 -0.669 20 0 GBADMM Cn1nnc(C(=O)N2CCCCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571239229 953237433 /nfs/dbraw/zinc/23/74/33/953237433.db2.gz RCVVQCOCNPSLDK-JTQLQIEISA-N -1 1 384.408 -0.323 20 0 GBADMM Cn1nnc(C(=O)N2CCCCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571239229 953237430 /nfs/dbraw/zinc/23/74/30/953237430.db2.gz RCVVQCOCNPSLDK-JTQLQIEISA-N -1 1 384.408 -0.323 20 0 GBADMM Cn1nnc(C(=O)N2CCCCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571239232 953237093 /nfs/dbraw/zinc/23/70/93/953237093.db2.gz RCVVQCOCNPSLDK-SNVBAGLBSA-N -1 1 384.408 -0.323 20 0 GBADMM Cn1nnc(C(=O)N2CCCCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571239232 953237091 /nfs/dbraw/zinc/23/70/91/953237091.db2.gz RCVVQCOCNPSLDK-SNVBAGLBSA-N -1 1 384.408 -0.323 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)Cn1cc(C)cn1 ZINC001571239237 953237541 /nfs/dbraw/zinc/23/75/41/953237541.db2.gz RFKWCNMEZQEHMB-VXGBXAGGSA-N -1 1 384.404 -0.818 20 0 GBADMM COCc1nn(C)cc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239239 953237381 /nfs/dbraw/zinc/23/73/81/953237381.db2.gz RFQDKCMUFOHRBX-JTQLQIEISA-N -1 1 384.404 -0.137 20 0 GBADMM COCc1nn(C)cc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239239 953237378 /nfs/dbraw/zinc/23/73/78/953237378.db2.gz RFQDKCMUFOHRBX-JTQLQIEISA-N -1 1 384.404 -0.137 20 0 GBADMM COCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239241 953237186 /nfs/dbraw/zinc/23/71/86/953237186.db2.gz RFQDKCMUFOHRBX-SNVBAGLBSA-N -1 1 384.404 -0.137 20 0 GBADMM COCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239241 953237184 /nfs/dbraw/zinc/23/71/84/953237184.db2.gz RFQDKCMUFOHRBX-SNVBAGLBSA-N -1 1 384.404 -0.137 20 0 GBADMM O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001571239260 953237262 /nfs/dbraw/zinc/23/72/62/953237262.db2.gz RMGCKDLJYADRSX-JTQLQIEISA-N -1 1 384.404 -0.349 20 0 GBADMM O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001571239260 953237259 /nfs/dbraw/zinc/23/72/59/953237259.db2.gz RMGCKDLJYADRSX-JTQLQIEISA-N -1 1 384.404 -0.349 20 0 GBADMM O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001571239261 953237392 /nfs/dbraw/zinc/23/73/92/953237392.db2.gz RMGCKDLJYADRSX-SNVBAGLBSA-N -1 1 384.404 -0.349 20 0 GBADMM O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001571239261 953237388 /nfs/dbraw/zinc/23/73/88/953237388.db2.gz RMGCKDLJYADRSX-SNVBAGLBSA-N -1 1 384.404 -0.349 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@H]2C)n1 ZINC001571239263 953237325 /nfs/dbraw/zinc/23/73/25/953237325.db2.gz RPRWVGBNTLGDOS-ZJUUUORDSA-N -1 1 384.404 -0.199 20 0 GBADMM COc1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)nn1C ZINC001571239274 953238211 /nfs/dbraw/zinc/23/82/11/953238211.db2.gz RXRKQXZERBPETR-JTQLQIEISA-N -1 1 384.404 -0.202 20 0 GBADMM COc1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)nn1C ZINC001571239274 953238210 /nfs/dbraw/zinc/23/82/10/953238210.db2.gz RXRKQXZERBPETR-JTQLQIEISA-N -1 1 384.404 -0.202 20 0 GBADMM COc1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)nn1C ZINC001571239275 953238307 /nfs/dbraw/zinc/23/83/07/953238307.db2.gz RXRKQXZERBPETR-SNVBAGLBSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)nn1C ZINC001571239275 953238306 /nfs/dbraw/zinc/23/83/06/953238306.db2.gz RXRKQXZERBPETR-SNVBAGLBSA-N -1 1 384.404 -0.202 20 0 GBADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001571239281 953237829 /nfs/dbraw/zinc/23/78/29/953237829.db2.gz SCKUPJUXBFWPQF-JTQLQIEISA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001571239281 953237826 /nfs/dbraw/zinc/23/78/26/953237826.db2.gz SCKUPJUXBFWPQF-JTQLQIEISA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001571239282 953237882 /nfs/dbraw/zinc/23/78/82/953237882.db2.gz SCKUPJUXBFWPQF-SNVBAGLBSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001571239282 953237879 /nfs/dbraw/zinc/23/78/79/953237879.db2.gz SCKUPJUXBFWPQF-SNVBAGLBSA-N -1 1 384.408 -0.618 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571239289 953238005 /nfs/dbraw/zinc/23/80/05/953238005.db2.gz SMSZSQCBDQPDOE-NXEZZACHSA-N -1 1 384.404 -0.174 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571239290 953238079 /nfs/dbraw/zinc/23/80/79/953238079.db2.gz SMSZSQCBDQPDOE-UWVGGRQHSA-N -1 1 384.404 -0.174 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571239291 953237778 /nfs/dbraw/zinc/23/77/78/953237778.db2.gz SMSZSQCBDQPDOE-VHSXEESVSA-N -1 1 384.404 -0.174 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571239292 953238073 /nfs/dbraw/zinc/23/80/73/953238073.db2.gz SMSZSQCBDQPDOE-ZJUUUORDSA-N -1 1 384.404 -0.174 20 0 GBADMM COc1cc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571239293 953237798 /nfs/dbraw/zinc/23/77/98/953237798.db2.gz SNWXREXCZQASOD-JTQLQIEISA-N -1 1 384.404 -0.284 20 0 GBADMM COc1cc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571239293 953237795 /nfs/dbraw/zinc/23/77/95/953237795.db2.gz SNWXREXCZQASOD-JTQLQIEISA-N -1 1 384.404 -0.284 20 0 GBADMM Cn1nnc(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571239294 953237847 /nfs/dbraw/zinc/23/78/47/953237847.db2.gz SONRRWXEZNBLKG-JTQLQIEISA-N -1 1 384.408 -0.641 20 0 GBADMM Cn1nnc(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571239294 953237843 /nfs/dbraw/zinc/23/78/43/953237843.db2.gz SONRRWXEZNBLKG-JTQLQIEISA-N -1 1 384.408 -0.641 20 0 GBADMM Cn1nnc(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571239295 953238173 /nfs/dbraw/zinc/23/81/73/953238173.db2.gz SONRRWXEZNBLKG-SNVBAGLBSA-N -1 1 384.408 -0.641 20 0 GBADMM Cn1nnc(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571239295 953238170 /nfs/dbraw/zinc/23/81/70/953238170.db2.gz SONRRWXEZNBLKG-SNVBAGLBSA-N -1 1 384.408 -0.641 20 0 GBADMM Cc1c(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571239296 953238069 /nfs/dbraw/zinc/23/80/69/953238069.db2.gz SPLRWAGRXPOQBN-LLVKDONJSA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1c(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571239296 953238065 /nfs/dbraw/zinc/23/80/65/953238065.db2.gz SPLRWAGRXPOQBN-LLVKDONJSA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571239297 953237761 /nfs/dbraw/zinc/23/77/61/953237761.db2.gz SPLRWAGRXPOQBN-NSHDSACASA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571239297 953237758 /nfs/dbraw/zinc/23/77/58/953237758.db2.gz SPLRWAGRXPOQBN-NSHDSACASA-N -1 1 384.404 -0.348 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001571239298 953237928 /nfs/dbraw/zinc/23/79/28/953237928.db2.gz SQBMOCTZYREDAF-SECBINFHSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001571239298 953237926 /nfs/dbraw/zinc/23/79/26/953237926.db2.gz SQBMOCTZYREDAF-SECBINFHSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001571239299 953237790 /nfs/dbraw/zinc/23/77/90/953237790.db2.gz SQBMOCTZYREDAF-VIFPVBQESA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001571239299 953237787 /nfs/dbraw/zinc/23/77/87/953237787.db2.gz SQBMOCTZYREDAF-VIFPVBQESA-N -1 1 384.408 -0.467 20 0 GBADMM O=C(CCn1cnnn1)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239300 953238231 /nfs/dbraw/zinc/23/82/31/953238231.db2.gz SQWAJNUPDVOSHJ-LLVKDONJSA-N -1 1 384.408 -0.616 20 0 GBADMM O=C(CCn1cnnn1)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239300 953238228 /nfs/dbraw/zinc/23/82/28/953238228.db2.gz SQWAJNUPDVOSHJ-LLVKDONJSA-N -1 1 384.408 -0.616 20 0 GBADMM O=C(CCn1cnnn1)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239301 953238278 /nfs/dbraw/zinc/23/82/78/953238278.db2.gz SQWAJNUPDVOSHJ-NSHDSACASA-N -1 1 384.408 -0.616 20 0 GBADMM O=C(CCn1cnnn1)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239301 953238276 /nfs/dbraw/zinc/23/82/76/953238276.db2.gz SQWAJNUPDVOSHJ-NSHDSACASA-N -1 1 384.408 -0.616 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)[nH]1 ZINC001571239302 953238029 /nfs/dbraw/zinc/23/80/29/953238029.db2.gz STYGZGDMQFNXQC-CMPLNLGQSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)[nH]1 ZINC001571239302 953238025 /nfs/dbraw/zinc/23/80/25/953238025.db2.gz STYGZGDMQFNXQC-CMPLNLGQSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)[nH]1 ZINC001571239303 953237916 /nfs/dbraw/zinc/23/79/16/953237916.db2.gz STYGZGDMQFNXQC-JQWIXIFHSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)[nH]1 ZINC001571239303 953237912 /nfs/dbraw/zinc/23/79/12/953237912.db2.gz STYGZGDMQFNXQC-JQWIXIFHSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)[nH]1 ZINC001571239304 953238048 /nfs/dbraw/zinc/23/80/48/953238048.db2.gz STYGZGDMQFNXQC-PWSUYJOCSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)[nH]1 ZINC001571239304 953238046 /nfs/dbraw/zinc/23/80/46/953238046.db2.gz STYGZGDMQFNXQC-PWSUYJOCSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)[nH]1 ZINC001571239305 953237709 /nfs/dbraw/zinc/23/77/09/953237709.db2.gz STYGZGDMQFNXQC-ZYHUDNBSSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)[nH]1 ZINC001571239305 953237706 /nfs/dbraw/zinc/23/77/06/953237706.db2.gz STYGZGDMQFNXQC-ZYHUDNBSSA-N -1 1 384.404 -0.634 20 0 GBADMM Cc1nn(C)cc1C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571239306 953237967 /nfs/dbraw/zinc/23/79/67/953237967.db2.gz SWBGNFSAXYWKTJ-LLVKDONJSA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1nn(C)cc1C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571239306 953237962 /nfs/dbraw/zinc/23/79/62/953237962.db2.gz SWBGNFSAXYWKTJ-LLVKDONJSA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1nn(C)cc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571239307 953237752 /nfs/dbraw/zinc/23/77/52/953237752.db2.gz SWBGNFSAXYWKTJ-NSHDSACASA-N -1 1 384.404 -0.348 20 0 GBADMM Cc1nn(C)cc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571239307 953237749 /nfs/dbraw/zinc/23/77/49/953237749.db2.gz SWBGNFSAXYWKTJ-NSHDSACASA-N -1 1 384.404 -0.348 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571239308 953237636 /nfs/dbraw/zinc/23/76/36/953237636.db2.gz SWBQMAYDWHWELZ-SECBINFHSA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571239308 953237632 /nfs/dbraw/zinc/23/76/32/953237632.db2.gz SWBQMAYDWHWELZ-SECBINFHSA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571239309 953238203 /nfs/dbraw/zinc/23/82/03/953238203.db2.gz SWBQMAYDWHWELZ-VIFPVBQESA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571239309 953238199 /nfs/dbraw/zinc/23/81/99/953238199.db2.gz SWBQMAYDWHWELZ-VIFPVBQESA-N -1 1 384.408 -0.275 20 0 GBADMM COCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239324 953237742 /nfs/dbraw/zinc/23/77/42/953237742.db2.gz TYKSUFSKPNNYBI-SNVBAGLBSA-N -1 1 384.404 -0.137 20 0 GBADMM COCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239324 953237739 /nfs/dbraw/zinc/23/77/39/953237739.db2.gz TYKSUFSKPNNYBI-SNVBAGLBSA-N -1 1 384.404 -0.137 20 0 GBADMM COc1cc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)nn1C ZINC001571239325 953237976 /nfs/dbraw/zinc/23/79/76/953237976.db2.gz TYVTZQMVNYBARC-INIZCTEOSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1cc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)nn1C ZINC001571239325 953237972 /nfs/dbraw/zinc/23/79/72/953237972.db2.gz TYVTZQMVNYBARC-INIZCTEOSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1cc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)nn1C ZINC001571239326 953238185 /nfs/dbraw/zinc/23/81/85/953238185.db2.gz TYVTZQMVNYBARC-MRXNPFEDSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1cc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)nn1C ZINC001571239326 953238181 /nfs/dbraw/zinc/23/81/81/953238181.db2.gz TYVTZQMVNYBARC-MRXNPFEDSA-N -1 1 384.404 -0.202 20 0 GBADMM C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571239327 953238220 /nfs/dbraw/zinc/23/82/20/953238220.db2.gz TYXUNXLSHYMKQW-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571239327 953238218 /nfs/dbraw/zinc/23/82/18/953238218.db2.gz TYXUNXLSHYMKQW-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571239328 953238123 /nfs/dbraw/zinc/23/81/23/953238123.db2.gz TYXUNXLSHYMKQW-UWVGGRQHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571239328 953238120 /nfs/dbraw/zinc/23/81/20/953238120.db2.gz TYXUNXLSHYMKQW-UWVGGRQHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571239329 953237700 /nfs/dbraw/zinc/23/77/00/953237700.db2.gz TYXUNXLSHYMKQW-VHSXEESVSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571239329 953237696 /nfs/dbraw/zinc/23/76/96/953237696.db2.gz TYXUNXLSHYMKQW-VHSXEESVSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571239330 953238000 /nfs/dbraw/zinc/23/80/00/953238000.db2.gz TYXUNXLSHYMKQW-ZJUUUORDSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571239330 953237997 /nfs/dbraw/zinc/23/79/97/953237997.db2.gz TYXUNXLSHYMKQW-ZJUUUORDSA-N -1 1 384.408 -0.610 20 0 GBADMM Cn1nnc(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571239331 953238146 /nfs/dbraw/zinc/23/81/46/953238146.db2.gz UATVSIDXVGOZQN-JTQLQIEISA-N -1 1 384.408 -0.465 20 0 GBADMM Cn1nnc(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571239331 953238144 /nfs/dbraw/zinc/23/81/44/953238144.db2.gz UATVSIDXVGOZQN-JTQLQIEISA-N -1 1 384.408 -0.465 20 0 GBADMM Cn1nnc(C(=O)N2CCC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571239332 953237818 /nfs/dbraw/zinc/23/78/18/953237818.db2.gz UATVSIDXVGOZQN-SNVBAGLBSA-N -1 1 384.408 -0.465 20 0 GBADMM Cn1nnc(C(=O)N2CCC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571239332 953237814 /nfs/dbraw/zinc/23/78/14/953237814.db2.gz UATVSIDXVGOZQN-SNVBAGLBSA-N -1 1 384.408 -0.465 20 0 GBADMM Cc1c[nH]c(C(=O)N2CCC(O)(CNc3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001571239333 953237685 /nfs/dbraw/zinc/23/76/85/953237685.db2.gz UAYRGVDMZKNHSQ-UHFFFAOYSA-N -1 1 384.404 -0.233 20 0 GBADMM Cc1c[nH]c(C(=O)N2CCC(O)(CNc3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001571239333 953237682 /nfs/dbraw/zinc/23/76/82/953237682.db2.gz UAYRGVDMZKNHSQ-UHFFFAOYSA-N -1 1 384.404 -0.233 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239339 953237649 /nfs/dbraw/zinc/23/76/49/953237649.db2.gz UFVOWWXGXVUDQW-AOOOYVTPSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239339 953237646 /nfs/dbraw/zinc/23/76/46/953237646.db2.gz UFVOWWXGXVUDQW-AOOOYVTPSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239340 953238266 /nfs/dbraw/zinc/23/82/66/953238266.db2.gz UFVOWWXGXVUDQW-MGCOHNPYSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239340 953238265 /nfs/dbraw/zinc/23/82/65/953238265.db2.gz UFVOWWXGXVUDQW-MGCOHNPYSA-N -1 1 384.408 -0.474 20 0 GBADMM O=C(CCn1cccn1)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571239451 953239706 /nfs/dbraw/zinc/23/97/06/953239706.db2.gz UIMUVNJFTFZXCP-GFCCVEGCSA-N -1 1 384.404 -0.417 20 0 GBADMM O=C(CCn1cccn1)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571239451 953239704 /nfs/dbraw/zinc/23/97/04/953239704.db2.gz UIMUVNJFTFZXCP-GFCCVEGCSA-N -1 1 384.404 -0.417 20 0 GBADMM O=C(CCn1cccn1)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571239452 953239571 /nfs/dbraw/zinc/23/95/71/953239571.db2.gz UIMUVNJFTFZXCP-LBPRGKRZSA-N -1 1 384.404 -0.417 20 0 GBADMM O=C(CCn1cccn1)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571239452 953239567 /nfs/dbraw/zinc/23/95/67/953239567.db2.gz UIMUVNJFTFZXCP-LBPRGKRZSA-N -1 1 384.404 -0.417 20 0 GBADMM CN(C(=O)c1nnn(C)n1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571239464 953239775 /nfs/dbraw/zinc/23/97/75/953239775.db2.gz UQJNSMBHEOENSJ-UHFFFAOYSA-N -1 1 384.408 -0.325 20 0 GBADMM CN(C(=O)c1nnn(C)n1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571239464 953239772 /nfs/dbraw/zinc/23/97/72/953239772.db2.gz UQJNSMBHEOENSJ-UHFFFAOYSA-N -1 1 384.408 -0.325 20 0 GBADMM COCCn1ccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571239467 953239253 /nfs/dbraw/zinc/23/92/53/953239253.db2.gz UVBXEJFEQDMPRR-XYPYZODXSA-N -1 1 384.404 -0.128 20 0 GBADMM COCCn1ccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571239467 953239252 /nfs/dbraw/zinc/23/92/52/953239252.db2.gz UVBXEJFEQDMPRR-XYPYZODXSA-N -1 1 384.404 -0.128 20 0 GBADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571239472 953239635 /nfs/dbraw/zinc/23/96/35/953239635.db2.gz UVNWXROSQVTXOB-BXKDBHETSA-N -1 1 384.404 -0.029 20 0 GBADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571239472 953239632 /nfs/dbraw/zinc/23/96/32/953239632.db2.gz UVNWXROSQVTXOB-BXKDBHETSA-N -1 1 384.404 -0.029 20 0 GBADMM COc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)nn1C ZINC001571239473 953239726 /nfs/dbraw/zinc/23/97/26/953239726.db2.gz UVNWXROSQVTXOB-CABZTGNLSA-N -1 1 384.404 -0.029 20 0 GBADMM COc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)nn1C ZINC001571239473 953239724 /nfs/dbraw/zinc/23/97/24/953239724.db2.gz UVNWXROSQVTXOB-CABZTGNLSA-N -1 1 384.404 -0.029 20 0 GBADMM COc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571239474 953239438 /nfs/dbraw/zinc/23/94/38/953239438.db2.gz UVNWXROSQVTXOB-JOYOIKCWSA-N -1 1 384.404 -0.029 20 0 GBADMM COc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571239474 953239433 /nfs/dbraw/zinc/23/94/33/953239433.db2.gz UVNWXROSQVTXOB-JOYOIKCWSA-N -1 1 384.404 -0.029 20 0 GBADMM COc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571239475 953239483 /nfs/dbraw/zinc/23/94/83/953239483.db2.gz UVNWXROSQVTXOB-SKDRFNHKSA-N -1 1 384.404 -0.029 20 0 GBADMM COc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571239475 953239479 /nfs/dbraw/zinc/23/94/79/953239479.db2.gz UVNWXROSQVTXOB-SKDRFNHKSA-N -1 1 384.404 -0.029 20 0 GBADMM CO[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001571239481 953239697 /nfs/dbraw/zinc/23/96/97/953239697.db2.gz VEVUSSBUHJLDTH-AAEUAGOBSA-N -1 1 384.404 -0.209 20 0 GBADMM CO[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001571239481 953239695 /nfs/dbraw/zinc/23/96/95/953239695.db2.gz VEVUSSBUHJLDTH-AAEUAGOBSA-N -1 1 384.404 -0.209 20 0 GBADMM CO[C@@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001571239482 953239266 /nfs/dbraw/zinc/23/92/66/953239266.db2.gz VEVUSSBUHJLDTH-WCQYABFASA-N -1 1 384.404 -0.209 20 0 GBADMM CO[C@@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001571239482 953239263 /nfs/dbraw/zinc/23/92/63/953239263.db2.gz VEVUSSBUHJLDTH-WCQYABFASA-N -1 1 384.404 -0.209 20 0 GBADMM Cc1nonc1CC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571239483 953239192 /nfs/dbraw/zinc/23/91/92/953239192.db2.gz VHVGKSJBMPBSDC-MWLCHTKSSA-N -1 1 384.404 -0.481 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571239492 953239614 /nfs/dbraw/zinc/23/96/14/953239614.db2.gz VLJLQCUUEOECMR-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571239492 953239611 /nfs/dbraw/zinc/23/96/11/953239611.db2.gz VLJLQCUUEOECMR-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571239493 953239509 /nfs/dbraw/zinc/23/95/09/953239509.db2.gz VLJLQCUUEOECMR-VIFPVBQESA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571239493 953239505 /nfs/dbraw/zinc/23/95/05/953239505.db2.gz VLJLQCUUEOECMR-VIFPVBQESA-N -1 1 384.408 -0.593 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571239505 953239213 /nfs/dbraw/zinc/23/92/13/953239213.db2.gz VQHPSZPTXUZCQF-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571239505 953239211 /nfs/dbraw/zinc/23/92/11/953239211.db2.gz VQHPSZPTXUZCQF-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571239506 953239203 /nfs/dbraw/zinc/23/92/03/953239203.db2.gz VQHPSZPTXUZCQF-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571239506 953239201 /nfs/dbraw/zinc/23/92/01/953239201.db2.gz VQHPSZPTXUZCQF-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM COCCn1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571239515 953240106 /nfs/dbraw/zinc/24/01/06/953240106.db2.gz VVZVFBOTXIJVHR-HAQNSBGRSA-N -1 1 384.404 -0.128 20 0 GBADMM COCCn1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571239515 953240102 /nfs/dbraw/zinc/24/01/02/953240102.db2.gz VVZVFBOTXIJVHR-HAQNSBGRSA-N -1 1 384.404 -0.128 20 0 GBADMM CN(CC1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571239518 953240742 /nfs/dbraw/zinc/24/07/42/953240742.db2.gz VYRNFAFCDQSEJR-UHFFFAOYSA-N -1 1 384.408 -0.982 20 0 GBADMM CN(CC1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571239518 953240739 /nfs/dbraw/zinc/24/07/39/953240739.db2.gz VYRNFAFCDQSEJR-UHFFFAOYSA-N -1 1 384.408 -0.982 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cc(C)nn1C ZINC001571239525 953240633 /nfs/dbraw/zinc/24/06/33/953240633.db2.gz WGWBMONVNPXWGR-DGCLKSJQSA-N -1 1 384.404 -0.668 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cc(C)nn1C ZINC001571239525 953240630 /nfs/dbraw/zinc/24/06/30/953240630.db2.gz WGWBMONVNPXWGR-DGCLKSJQSA-N -1 1 384.404 -0.668 20 0 GBADMM O=C(CCn1cnnn1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571239532 953240115 /nfs/dbraw/zinc/24/01/15/953240115.db2.gz WKDWYONOXKPEBT-LLVKDONJSA-N -1 1 384.408 -0.474 20 0 GBADMM O=C(CCn1cnnn1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571239532 953240112 /nfs/dbraw/zinc/24/01/12/953240112.db2.gz WKDWYONOXKPEBT-LLVKDONJSA-N -1 1 384.408 -0.474 20 0 GBADMM O=C(CCn1cnnn1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571239533 953240094 /nfs/dbraw/zinc/24/00/94/953240094.db2.gz WKDWYONOXKPEBT-NSHDSACASA-N -1 1 384.408 -0.474 20 0 GBADMM O=C(CCn1cnnn1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571239533 953240093 /nfs/dbraw/zinc/24/00/93/953240093.db2.gz WKDWYONOXKPEBT-NSHDSACASA-N -1 1 384.408 -0.474 20 0 GBADMM CN(C[C@H]1CCCCN1C(=O)Cn1ncnn1)c1nccnc1-c1nn[n-]n1 ZINC001571239537 953240531 /nfs/dbraw/zinc/24/05/31/953240531.db2.gz WMVCRQNRSYLOFW-LLVKDONJSA-N -1 1 384.408 -0.839 20 0 GBADMM CN(C[C@H]1CCCCN1C(=O)Cn1ncnn1)c1nccnc1-c1nnn[n-]1 ZINC001571239537 953240529 /nfs/dbraw/zinc/24/05/29/953240529.db2.gz WMVCRQNRSYLOFW-LLVKDONJSA-N -1 1 384.408 -0.839 20 0 GBADMM Cn1cc(CC(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571239651 953241058 /nfs/dbraw/zinc/24/10/58/953241058.db2.gz WSSPORZNWIFZIA-GFCCVEGCSA-N -1 1 384.404 -0.728 20 0 GBADMM Cn1cc(CC(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571239651 953241057 /nfs/dbraw/zinc/24/10/57/953241057.db2.gz WSSPORZNWIFZIA-GFCCVEGCSA-N -1 1 384.404 -0.728 20 0 GBADMM Cn1cc(CC(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571239655 953241429 /nfs/dbraw/zinc/24/14/29/953241429.db2.gz WSSPORZNWIFZIA-LBPRGKRZSA-N -1 1 384.404 -0.728 20 0 GBADMM Cn1cc(CC(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571239655 953241426 /nfs/dbraw/zinc/24/14/26/953241426.db2.gz WSSPORZNWIFZIA-LBPRGKRZSA-N -1 1 384.404 -0.728 20 0 GBADMM O=C(Cc1cc[nH]n1)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571239658 953241320 /nfs/dbraw/zinc/24/13/20/953241320.db2.gz WTIQMWHPRPYEGX-GFCCVEGCSA-N -1 1 384.404 -0.348 20 0 GBADMM O=C(Cc1cc[nH]n1)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571239666 953241258 /nfs/dbraw/zinc/24/12/58/953241258.db2.gz WTIQMWHPRPYEGX-LBPRGKRZSA-N -1 1 384.404 -0.348 20 0 GBADMM COCc1nn(C)cc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571239668 953241252 /nfs/dbraw/zinc/24/12/52/953241252.db2.gz WUMRHKSUXHCJNS-JTQLQIEISA-N -1 1 384.404 -0.715 20 0 GBADMM CCn1nccc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001571239712 953242209 /nfs/dbraw/zinc/24/22/09/953242209.db2.gz XDEWOPIUPISLRI-DGCLKSJQSA-N -1 1 384.404 -0.493 20 0 GBADMM CCn1nccc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001571239712 953242205 /nfs/dbraw/zinc/24/22/05/953242205.db2.gz XDEWOPIUPISLRI-DGCLKSJQSA-N -1 1 384.404 -0.493 20 0 GBADMM Cn1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n(C)c1=O ZINC001571239716 953242385 /nfs/dbraw/zinc/24/23/85/953242385.db2.gz XEVMMJXLGNPHLH-JTQLQIEISA-N -1 1 384.404 -0.732 20 0 GBADMM Cn1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n(C)c1=O ZINC001571239716 953242382 /nfs/dbraw/zinc/24/23/82/953242382.db2.gz XEVMMJXLGNPHLH-JTQLQIEISA-N -1 1 384.404 -0.732 20 0 GBADMM Cn1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n(C)c1=O ZINC001571239720 953242275 /nfs/dbraw/zinc/24/22/75/953242275.db2.gz XEVMMJXLGNPHLH-SNVBAGLBSA-N -1 1 384.404 -0.732 20 0 GBADMM Cn1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n(C)c1=O ZINC001571239720 953242273 /nfs/dbraw/zinc/24/22/73/953242273.db2.gz XEVMMJXLGNPHLH-SNVBAGLBSA-N -1 1 384.404 -0.732 20 0 GBADMM COc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571239748 953241657 /nfs/dbraw/zinc/24/16/57/953241657.db2.gz XJHJUEGFLROBKI-SNVBAGLBSA-N -1 1 384.404 -0.202 20 0 GBADMM COc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571239748 953241653 /nfs/dbraw/zinc/24/16/53/953241653.db2.gz XJHJUEGFLROBKI-SNVBAGLBSA-N -1 1 384.404 -0.202 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571239752 953243035 /nfs/dbraw/zinc/24/30/35/953243035.db2.gz XKZDAVYYVBTWGN-LLVKDONJSA-N -1 1 384.408 -0.698 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571239752 953243031 /nfs/dbraw/zinc/24/30/31/953243031.db2.gz XKZDAVYYVBTWGN-LLVKDONJSA-N -1 1 384.408 -0.698 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571239762 953242805 /nfs/dbraw/zinc/24/28/05/953242805.db2.gz XKZDAVYYVBTWGN-NSHDSACASA-N -1 1 384.408 -0.698 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571239762 953242802 /nfs/dbraw/zinc/24/28/02/953242802.db2.gz XKZDAVYYVBTWGN-NSHDSACASA-N -1 1 384.408 -0.698 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n(C)c1=O ZINC001571239776 953242750 /nfs/dbraw/zinc/24/27/50/953242750.db2.gz XQTCOWSOJGGQKL-SNVBAGLBSA-N -1 1 384.404 -0.589 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n(C)c1=O ZINC001571239776 953242747 /nfs/dbraw/zinc/24/27/47/953242747.db2.gz XQTCOWSOJGGQKL-SNVBAGLBSA-N -1 1 384.404 -0.589 20 0 GBADMM Cn1c(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]c1=O ZINC001571239792 953243019 /nfs/dbraw/zinc/24/30/19/953243019.db2.gz XWRCPCKFARAHSS-INIZCTEOSA-N -1 1 384.404 -0.518 20 0 GBADMM Cn1c(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]c1=O ZINC001571239793 953242840 /nfs/dbraw/zinc/24/28/40/953242840.db2.gz XWRCPCKFARAHSS-MRXNPFEDSA-N -1 1 384.404 -0.518 20 0 GBADMM Cc1nc(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)nn3)CC2)c[nH]1 ZINC001571239794 953243107 /nfs/dbraw/zinc/24/31/07/953243107.db2.gz XXTQWSBLQRPELK-UHFFFAOYSA-N -1 1 384.404 -0.233 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n(C)c1=O ZINC001571239796 953242683 /nfs/dbraw/zinc/24/26/83/953242683.db2.gz XZNCQGFXAPGUPZ-JTQLQIEISA-N -1 1 384.404 -0.589 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n(C)c1=O ZINC001571239796 953242680 /nfs/dbraw/zinc/24/26/80/953242680.db2.gz XZNCQGFXAPGUPZ-JTQLQIEISA-N -1 1 384.404 -0.589 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n(C)c1=O ZINC001571239797 953242794 /nfs/dbraw/zinc/24/27/94/953242794.db2.gz XZNCQGFXAPGUPZ-SNVBAGLBSA-N -1 1 384.404 -0.589 20 0 GBADMM Cn1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n(C)c1=O ZINC001571239797 953242790 /nfs/dbraw/zinc/24/27/90/953242790.db2.gz XZNCQGFXAPGUPZ-SNVBAGLBSA-N -1 1 384.404 -0.589 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2nnn(C)n2)n1 ZINC001571239800 953242854 /nfs/dbraw/zinc/24/28/54/953242854.db2.gz YGGVHMOPCHICCN-NXEZZACHSA-N -1 1 384.408 -0.358 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2nnn(C)n2)n1 ZINC001571239800 953242851 /nfs/dbraw/zinc/24/28/51/953242851.db2.gz YGGVHMOPCHICCN-NXEZZACHSA-N -1 1 384.408 -0.358 20 0 GBADMM COCCn1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571239803 953242621 /nfs/dbraw/zinc/24/26/21/953242621.db2.gz YIMPGFZITPYGLC-NSHDSACASA-N -1 1 384.404 -0.492 20 0 GBADMM COCCn1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571239803 953242619 /nfs/dbraw/zinc/24/26/19/953242619.db2.gz YIMPGFZITPYGLC-NSHDSACASA-N -1 1 384.404 -0.492 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3nnn(C)n3)C[C@H]2C)n1 ZINC001571239806 953243089 /nfs/dbraw/zinc/24/30/89/953243089.db2.gz YKQXPOKSEOWSRL-NXEZZACHSA-N -1 1 384.408 -0.724 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3nnn(C)n3)C[C@H]2C)n1 ZINC001571239806 953243087 /nfs/dbraw/zinc/24/30/87/953243087.db2.gz YKQXPOKSEOWSRL-NXEZZACHSA-N -1 1 384.408 -0.724 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3nnn(C)n3)C[C@@H]2C)n1 ZINC001571239807 953242652 /nfs/dbraw/zinc/24/26/52/953242652.db2.gz YKQXPOKSEOWSRL-UWVGGRQHSA-N -1 1 384.408 -0.724 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3nnn(C)n3)C[C@@H]2C)n1 ZINC001571239807 953242650 /nfs/dbraw/zinc/24/26/50/953242650.db2.gz YKQXPOKSEOWSRL-UWVGGRQHSA-N -1 1 384.408 -0.724 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3nnn(C)n3)C[C@@H]2C)n1 ZINC001571239808 953242716 /nfs/dbraw/zinc/24/27/16/953242716.db2.gz YKQXPOKSEOWSRL-VHSXEESVSA-N -1 1 384.408 -0.724 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3nnn(C)n3)C[C@@H]2C)n1 ZINC001571239808 953242713 /nfs/dbraw/zinc/24/27/13/953242713.db2.gz YKQXPOKSEOWSRL-VHSXEESVSA-N -1 1 384.408 -0.724 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3nnn(C)n3)C[C@H]2C)n1 ZINC001571239809 953242733 /nfs/dbraw/zinc/24/27/33/953242733.db2.gz YKQXPOKSEOWSRL-ZJUUUORDSA-N -1 1 384.408 -0.724 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3nnn(C)n3)C[C@H]2C)n1 ZINC001571239809 953242730 /nfs/dbraw/zinc/24/27/30/953242730.db2.gz YKQXPOKSEOWSRL-ZJUUUORDSA-N -1 1 384.408 -0.724 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571239816 953243173 /nfs/dbraw/zinc/24/31/73/953243173.db2.gz YTSNIHPAYIKQRB-DTORHVGOSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571239816 953243172 /nfs/dbraw/zinc/24/31/72/953243172.db2.gz YTSNIHPAYIKQRB-DTORHVGOSA-N -1 1 384.408 -0.229 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571239820 953242638 /nfs/dbraw/zinc/24/26/38/953242638.db2.gz YVOMTJZBBIMMJQ-LLVKDONJSA-N -1 1 384.408 -0.921 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571239820 953242636 /nfs/dbraw/zinc/24/26/36/953242636.db2.gz YVOMTJZBBIMMJQ-LLVKDONJSA-N -1 1 384.408 -0.921 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571239821 953243013 /nfs/dbraw/zinc/24/30/13/953243013.db2.gz YVOMTJZBBIMMJQ-NSHDSACASA-N -1 1 384.408 -0.921 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571239821 953243009 /nfs/dbraw/zinc/24/30/09/953243009.db2.gz YVOMTJZBBIMMJQ-NSHDSACASA-N -1 1 384.408 -0.921 20 0 GBADMM Cn1cc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)n(C)c1=O ZINC001571239823 953242930 /nfs/dbraw/zinc/24/29/30/953242930.db2.gz YYZWPTJZVWXKHC-UHFFFAOYSA-N -1 1 384.404 -0.686 20 0 GBADMM Cn1cc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)n(C)c1=O ZINC001571239823 953242928 /nfs/dbraw/zinc/24/29/28/953242928.db2.gz YYZWPTJZVWXKHC-UHFFFAOYSA-N -1 1 384.404 -0.686 20 0 GBADMM Cc1nnc(CC(=O)NC2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571239836 953243519 /nfs/dbraw/zinc/24/35/19/953243519.db2.gz ZHUHCJYDJQFYRJ-UHFFFAOYSA-N -1 1 384.404 -0.016 20 0 GBADMM Cc1nnc(CC(=O)NC2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571239836 953243517 /nfs/dbraw/zinc/24/35/17/953243517.db2.gz ZHUHCJYDJQFYRJ-UHFFFAOYSA-N -1 1 384.404 -0.016 20 0 GBADMM Cc1c(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)cnn1C ZINC001571239841 953243437 /nfs/dbraw/zinc/24/34/37/953243437.db2.gz ZJZDFLCNKHBVJT-LLVKDONJSA-N -1 1 384.404 -0.666 20 0 GBADMM Cc1c(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)cnn1C ZINC001571239842 953243412 /nfs/dbraw/zinc/24/34/12/953243412.db2.gz ZJZDFLCNKHBVJT-NSHDSACASA-N -1 1 384.404 -0.666 20 0 GBADMM COc1nn(C)cc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239843 953243847 /nfs/dbraw/zinc/24/38/47/953243847.db2.gz ZMSVQUYEDVOQKD-JTQLQIEISA-N -1 1 384.404 -0.250 20 0 GBADMM COc1nn(C)cc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239843 953243842 /nfs/dbraw/zinc/24/38/42/953243842.db2.gz ZMSVQUYEDVOQKD-JTQLQIEISA-N -1 1 384.404 -0.250 20 0 GBADMM COc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239844 953244131 /nfs/dbraw/zinc/24/41/31/953244131.db2.gz ZMSVQUYEDVOQKD-SNVBAGLBSA-N -1 1 384.404 -0.250 20 0 GBADMM COc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239844 953244130 /nfs/dbraw/zinc/24/41/30/953244130.db2.gz ZMSVQUYEDVOQKD-SNVBAGLBSA-N -1 1 384.404 -0.250 20 0 GBADMM COCCn1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571239859 953243479 /nfs/dbraw/zinc/24/34/79/953243479.db2.gz ZRFJSAXHOBUEDH-LBPRGKRZSA-N -1 1 384.404 -0.492 20 0 GBADMM COCCn1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571239859 953243474 /nfs/dbraw/zinc/24/34/74/953243474.db2.gz ZRFJSAXHOBUEDH-LBPRGKRZSA-N -1 1 384.404 -0.492 20 0 GBADMM COc1c(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)cnn1C ZINC001571239860 953243897 /nfs/dbraw/zinc/24/38/97/953243897.db2.gz ZVNITFCYNCAALE-UHFFFAOYSA-N -1 1 384.404 -0.330 20 0 GBADMM COc1c(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)cnn1C ZINC001571239860 953243894 /nfs/dbraw/zinc/24/38/94/953243894.db2.gz ZVNITFCYNCAALE-UHFFFAOYSA-N -1 1 384.404 -0.330 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]2C)n1 ZINC001571239861 953243535 /nfs/dbraw/zinc/24/35/35/953243535.db2.gz ZXYAZBSORBINQI-GXSJLCMTSA-N -1 1 384.408 -0.699 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]2C)n1 ZINC001571239861 953243529 /nfs/dbraw/zinc/24/35/29/953243529.db2.gz ZXYAZBSORBINQI-GXSJLCMTSA-N -1 1 384.408 -0.699 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]2C)n1 ZINC001571239862 953244107 /nfs/dbraw/zinc/24/41/07/953244107.db2.gz ZXYAZBSORBINQI-KOLCDFICSA-N -1 1 384.408 -0.699 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]2C)n1 ZINC001571239862 953244106 /nfs/dbraw/zinc/24/41/06/953244106.db2.gz ZXYAZBSORBINQI-KOLCDFICSA-N -1 1 384.408 -0.699 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]2C)n1 ZINC001571239863 953244137 /nfs/dbraw/zinc/24/41/37/953244137.db2.gz ZXYAZBSORBINQI-MWLCHTKSSA-N -1 1 384.408 -0.699 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]2C)n1 ZINC001571239863 953244136 /nfs/dbraw/zinc/24/41/36/953244136.db2.gz ZXYAZBSORBINQI-MWLCHTKSSA-N -1 1 384.408 -0.699 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]2C)n1 ZINC001571239864 953243488 /nfs/dbraw/zinc/24/34/88/953243488.db2.gz ZXYAZBSORBINQI-ONGXEEELSA-N -1 1 384.408 -0.699 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]2C)n1 ZINC001571239864 953243486 /nfs/dbraw/zinc/24/34/86/953243486.db2.gz ZXYAZBSORBINQI-ONGXEEELSA-N -1 1 384.408 -0.699 20 0 GBADMM O=C(Cn1cnnn1)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571240026 953245301 /nfs/dbraw/zinc/24/53/01/953245301.db2.gz XXUKPEUGSSPJPP-LLVKDONJSA-N -1 1 384.408 -0.474 20 0 GBADMM O=C(Cn1cnnn1)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571240026 953245298 /nfs/dbraw/zinc/24/52/98/953245298.db2.gz XXUKPEUGSSPJPP-LLVKDONJSA-N -1 1 384.408 -0.474 20 0 GBADMM O=C(Cn1cnnn1)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571240027 953245273 /nfs/dbraw/zinc/24/52/73/953245273.db2.gz XXUKPEUGSSPJPP-NSHDSACASA-N -1 1 384.408 -0.474 20 0 GBADMM O=C(Cn1cnnn1)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571240027 953245269 /nfs/dbraw/zinc/24/52/69/953245269.db2.gz XXUKPEUGSSPJPP-NSHDSACASA-N -1 1 384.408 -0.474 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2csnn2)n1 ZINC001571241557 953247116 /nfs/dbraw/zinc/24/71/16/953247116.db2.gz DECCTCMXKWUFSO-BWPRHRIFSA-N -1 1 384.429 -0.065 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2csnn2)n1 ZINC001571241557 953247113 /nfs/dbraw/zinc/24/71/13/953247113.db2.gz DECCTCMXKWUFSO-BWPRHRIFSA-N -1 1 384.429 -0.065 20 0 GBADMM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001571241678 953248694 /nfs/dbraw/zinc/24/86/94/953248694.db2.gz IEIFPSPOMUMGEG-MRVPVSSYSA-N -1 1 384.443 -0.697 20 0 GBADMM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001571241678 953248687 /nfs/dbraw/zinc/24/86/87/953248687.db2.gz IEIFPSPOMUMGEG-MRVPVSSYSA-N -1 1 384.443 -0.697 20 0 GBADMM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001571241679 953249106 /nfs/dbraw/zinc/24/91/06/953249106.db2.gz IEIFPSPOMUMGEG-QMMMGPOBSA-N -1 1 384.443 -0.697 20 0 GBADMM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001571241679 953249104 /nfs/dbraw/zinc/24/91/04/953249104.db2.gz IEIFPSPOMUMGEG-QMMMGPOBSA-N -1 1 384.443 -0.697 20 0 GBADMM CCCS(=O)(=O)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571242319 953255718 /nfs/dbraw/zinc/25/57/18/953255718.db2.gz ZENTXUUOBWBJIR-UHFFFAOYSA-N -1 1 384.422 -0.810 20 0 GBADMM CCCS(=O)(=O)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571242319 953255716 /nfs/dbraw/zinc/25/57/16/953255716.db2.gz ZENTXUUOBWBJIR-UHFFFAOYSA-N -1 1 384.422 -0.810 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571242639 953258620 /nfs/dbraw/zinc/25/86/20/953258620.db2.gz KQVJBNYHXXYNGU-NTASLKFISA-N -1 1 384.444 -0.133 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)n1 ZINC001571243207 953264386 /nfs/dbraw/zinc/26/43/86/953264386.db2.gz ZHFSJAWMUDTXNZ-CAFXUDQZSA-N -1 1 384.444 -0.069 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)n1 ZINC001571243207 953264384 /nfs/dbraw/zinc/26/43/84/953264384.db2.gz ZHFSJAWMUDTXNZ-CAFXUDQZSA-N -1 1 384.444 -0.069 20 0 GBADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H](C)S(C)(=O)=O ZINC001571245890 953277935 /nfs/dbraw/zinc/27/79/35/953277935.db2.gz ODLPNAJGIIIHFO-BDAKNGLRSA-N -1 1 384.466 -0.368 20 0 GBADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H](C)S(C)(=O)=O ZINC001571245890 953277932 /nfs/dbraw/zinc/27/79/32/953277932.db2.gz ODLPNAJGIIIHFO-BDAKNGLRSA-N -1 1 384.466 -0.368 20 0 GBADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H](C)S(C)(=O)=O ZINC001571245891 953277450 /nfs/dbraw/zinc/27/74/50/953277450.db2.gz ODLPNAJGIIIHFO-DTWKUNHWSA-N -1 1 384.466 -0.368 20 0 GBADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H](C)S(C)(=O)=O ZINC001571245891 953277448 /nfs/dbraw/zinc/27/74/48/953277448.db2.gz ODLPNAJGIIIHFO-DTWKUNHWSA-N -1 1 384.466 -0.368 20 0 GBADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H](C)S(C)(=O)=O ZINC001571245892 953277624 /nfs/dbraw/zinc/27/76/24/953277624.db2.gz ODLPNAJGIIIHFO-IUCAKERBSA-N -1 1 384.466 -0.368 20 0 GBADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H](C)S(C)(=O)=O ZINC001571245892 953277622 /nfs/dbraw/zinc/27/76/22/953277622.db2.gz ODLPNAJGIIIHFO-IUCAKERBSA-N -1 1 384.466 -0.368 20 0 GBADMM C[C@H]([C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001571245893 953277811 /nfs/dbraw/zinc/27/78/11/953277811.db2.gz ODLPNAJGIIIHFO-RKDXNWHRSA-N -1 1 384.466 -0.368 20 0 GBADMM C[C@H]([C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001571245893 953277806 /nfs/dbraw/zinc/27/78/06/953277806.db2.gz ODLPNAJGIIIHFO-RKDXNWHRSA-N -1 1 384.466 -0.368 20 0 GBADMM O=C(N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1COC(=O)N1 ZINC001571252295 953326161 /nfs/dbraw/zinc/32/61/61/953326161.db2.gz KAJLQMKEDJXFMX-PHDIDXHHSA-N -1 1 384.809 -0.220 20 0 GBADMM O=C(N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1COC(=O)N1 ZINC001571252296 953326538 /nfs/dbraw/zinc/32/65/38/953326538.db2.gz KAJLQMKEDJXFMX-RITPCOANSA-N -1 1 384.809 -0.220 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1SCCS1 ZINC001571252425 953328773 /nfs/dbraw/zinc/32/87/73/953328773.db2.gz ZZLHDDVWYAGLPF-UHFFFAOYSA-N -1 1 384.447 -0.766 20 0 GBADMM O=C([C@@H]1COC(=O)N1)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571252428 953329003 /nfs/dbraw/zinc/32/90/03/953329003.db2.gz MHQBRXXLXSJHGY-LURJTMIESA-N -1 1 384.809 -0.266 20 0 GBADMM O=C([C@@H]1COC(=O)N1)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571252428 953329001 /nfs/dbraw/zinc/32/90/01/953329001.db2.gz MHQBRXXLXSJHGY-LURJTMIESA-N -1 1 384.809 -0.266 20 0 GBADMM O=C([C@H]1COC(=O)N1)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571252429 953328387 /nfs/dbraw/zinc/32/83/87/953328387.db2.gz MHQBRXXLXSJHGY-ZCFIWIBFSA-N -1 1 384.809 -0.266 20 0 GBADMM O=C([C@H]1COC(=O)N1)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571252429 953328382 /nfs/dbraw/zinc/32/83/82/953328382.db2.gz MHQBRXXLXSJHGY-ZCFIWIBFSA-N -1 1 384.809 -0.266 20 0 GBADMM O=C(Cc1nnc[nH]1)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571254212 953337441 /nfs/dbraw/zinc/33/74/41/953337441.db2.gz DSHKERIVBBRLRR-JTQLQIEISA-N -1 1 385.392 -0.953 20 0 GBADMM O=C(Cc1nnc[nH]1)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571254219 953337461 /nfs/dbraw/zinc/33/74/61/953337461.db2.gz DSHKERIVBBRLRR-SNVBAGLBSA-N -1 1 385.392 -0.953 20 0 GBADMM COC(=O)C1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC(CO)C1 ZINC001571254224 953337523 /nfs/dbraw/zinc/33/75/23/953337523.db2.gz ANOGNSINCQBQDH-UHFFFAOYSA-N -1 1 385.377 -0.402 20 0 GBADMM COC(=O)C1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC(CO)C1 ZINC001571254224 953337521 /nfs/dbraw/zinc/33/75/21/953337521.db2.gz ANOGNSINCQBQDH-UHFFFAOYSA-N -1 1 385.377 -0.402 20 0 GBADMM O=C(Cc1ccc2c(c1)OCO2)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571254257 953336855 /nfs/dbraw/zinc/33/68/55/953336855.db2.gz AYTVJSYFLMAHLB-UHFFFAOYSA-N -1 1 385.340 -0.783 20 0 GBADMM O=C(NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)c1ccncc1F ZINC001571254270 953336691 /nfs/dbraw/zinc/33/66/91/953336691.db2.gz BDWHMPAIHZMJNV-JTQLQIEISA-N -1 1 385.363 -0.174 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)c1ccncc1F ZINC001571254273 953336711 /nfs/dbraw/zinc/33/67/11/953336711.db2.gz BDWHMPAIHZMJNV-SNVBAGLBSA-N -1 1 385.363 -0.174 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1cncc(F)c1 ZINC001571254355 953337920 /nfs/dbraw/zinc/33/79/20/953337920.db2.gz CJZFWRHUJJLKHK-GFCCVEGCSA-N -1 1 385.363 -0.174 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1cncc(F)c1 ZINC001571254355 953337919 /nfs/dbraw/zinc/33/79/19/953337919.db2.gz CJZFWRHUJJLKHK-GFCCVEGCSA-N -1 1 385.363 -0.174 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1cncc(F)c1 ZINC001571254356 953337683 /nfs/dbraw/zinc/33/76/83/953337683.db2.gz CJZFWRHUJJLKHK-LBPRGKRZSA-N -1 1 385.363 -0.174 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1cncc(F)c1 ZINC001571254356 953337678 /nfs/dbraw/zinc/33/76/78/953337678.db2.gz CJZFWRHUJJLKHK-LBPRGKRZSA-N -1 1 385.363 -0.174 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ncccc1F ZINC001571254361 953337791 /nfs/dbraw/zinc/33/77/91/953337791.db2.gz CPEZGCQVKMPKHG-GHMZBOCLSA-N -1 1 385.363 -0.176 20 0 GBADMM COC(=O)c1ccccc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571254362 953338242 /nfs/dbraw/zinc/33/82/42/953338242.db2.gz CPXYOYVUQBEDFB-UHFFFAOYSA-N -1 1 385.340 -0.654 20 0 GBADMM CCc1ncoc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571254401 953338930 /nfs/dbraw/zinc/33/89/30/953338930.db2.gz AAFGKEGNUWZNGT-GHMZBOCLSA-N -1 1 385.388 -0.423 20 0 GBADMM CCc1ncoc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571254435 953338919 /nfs/dbraw/zinc/33/89/19/953338919.db2.gz AAFGKEGNUWZNGT-MNOVXSKESA-N -1 1 385.388 -0.423 20 0 GBADMM CCc1ncoc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571254439 953339333 /nfs/dbraw/zinc/33/93/33/953339333.db2.gz AAFGKEGNUWZNGT-QWRGUYRKSA-N -1 1 385.388 -0.423 20 0 GBADMM CCc1ncoc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571254443 953339298 /nfs/dbraw/zinc/33/92/98/953339298.db2.gz AAFGKEGNUWZNGT-WDEREUQCSA-N -1 1 385.388 -0.423 20 0 GBADMM Cc1noc(C)c1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571254478 953338865 /nfs/dbraw/zinc/33/88/65/953338865.db2.gz ABZAGBSUJVYUIL-LLVKDONJSA-N -1 1 385.388 -0.103 20 0 GBADMM Cc1noc(C)c1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571254478 953338863 /nfs/dbraw/zinc/33/88/63/953338863.db2.gz ABZAGBSUJVYUIL-LLVKDONJSA-N -1 1 385.388 -0.103 20 0 GBADMM Cc1noc(C)c1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571254482 953339367 /nfs/dbraw/zinc/33/93/67/953339367.db2.gz ABZAGBSUJVYUIL-NSHDSACASA-N -1 1 385.388 -0.103 20 0 GBADMM Cc1noc(C)c1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571254482 953339361 /nfs/dbraw/zinc/33/93/61/953339361.db2.gz ABZAGBSUJVYUIL-NSHDSACASA-N -1 1 385.388 -0.103 20 0 GBADMM COCc1nocc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571254532 953340412 /nfs/dbraw/zinc/34/04/12/953340412.db2.gz AIUMWUBBNZDAHR-JTQLQIEISA-N -1 1 385.388 -0.070 20 0 GBADMM COCc1nocc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571254536 953340233 /nfs/dbraw/zinc/34/02/33/953340233.db2.gz AIUMWUBBNZDAHR-SNVBAGLBSA-N -1 1 385.388 -0.070 20 0 GBADMM O=C(N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)[C@H]1COC(=O)N1 ZINC001571254562 953339731 /nfs/dbraw/zinc/33/97/31/953339731.db2.gz AUXVJCLLRYIPDQ-GHMZBOCLSA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)[C@H]1COC(=O)N1 ZINC001571254562 953339729 /nfs/dbraw/zinc/33/97/29/953339729.db2.gz AUXVJCLLRYIPDQ-GHMZBOCLSA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)[C@H]1COC(=O)N1 ZINC001571254573 953340085 /nfs/dbraw/zinc/34/00/85/953340085.db2.gz AUXVJCLLRYIPDQ-MNOVXSKESA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)[C@H]1COC(=O)N1 ZINC001571254573 953340081 /nfs/dbraw/zinc/34/00/81/953340081.db2.gz AUXVJCLLRYIPDQ-MNOVXSKESA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)[C@@H]1COC(=O)N1 ZINC001571254578 953340272 /nfs/dbraw/zinc/34/02/72/953340272.db2.gz AUXVJCLLRYIPDQ-QWRGUYRKSA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)[C@@H]1COC(=O)N1 ZINC001571254578 953340268 /nfs/dbraw/zinc/34/02/68/953340268.db2.gz AUXVJCLLRYIPDQ-QWRGUYRKSA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)[C@@H]1COC(=O)N1 ZINC001571254584 953339768 /nfs/dbraw/zinc/33/97/68/953339768.db2.gz AUXVJCLLRYIPDQ-WDEREUQCSA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)[C@@H]1COC(=O)N1 ZINC001571254584 953339764 /nfs/dbraw/zinc/33/97/64/953339764.db2.gz AUXVJCLLRYIPDQ-WDEREUQCSA-N -1 1 385.388 -0.760 20 0 GBADMM COCCn1cc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571254633 953340642 /nfs/dbraw/zinc/34/06/42/953340642.db2.gz HJSDWPZIEHNKSX-AOOOYVTPSA-N -1 1 385.392 -0.733 20 0 GBADMM COCCn1cc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571254633 953340638 /nfs/dbraw/zinc/34/06/38/953340638.db2.gz HJSDWPZIEHNKSX-AOOOYVTPSA-N -1 1 385.392 -0.733 20 0 GBADMM Cc1cnoc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571254652 953341199 /nfs/dbraw/zinc/34/11/99/953341199.db2.gz BJRVDRNKUYHWHE-LLVKDONJSA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1cnoc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571254652 953341196 /nfs/dbraw/zinc/34/11/96/953341196.db2.gz BJRVDRNKUYHWHE-LLVKDONJSA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1cnoc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571254655 953341152 /nfs/dbraw/zinc/34/11/52/953341152.db2.gz BJRVDRNKUYHWHE-NSHDSACASA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1cnoc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571254655 953341148 /nfs/dbraw/zinc/34/11/48/953341148.db2.gz BJRVDRNKUYHWHE-NSHDSACASA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1cn(C(C)(C)C(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)cn1 ZINC001571254713 953342446 /nfs/dbraw/zinc/34/24/46/953342446.db2.gz BWJZRYOVVFNEMI-UHFFFAOYSA-N -1 1 385.388 -0.547 20 0 GBADMM COc1ccc(C)cc1CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571254736 953341937 /nfs/dbraw/zinc/34/19/37/953341937.db2.gz CGLXWIMXBRCYKU-UHFFFAOYSA-N -1 1 385.384 -0.195 20 0 GBADMM O=C(c1cnco1)N1CCC(N(CCO)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571254740 953342089 /nfs/dbraw/zinc/34/20/89/953342089.db2.gz CJHSFXMPJMENON-UHFFFAOYSA-N -1 1 385.388 -0.252 20 0 GBADMM O=C(c1cnco1)N1CCC(N(CCO)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571254740 953342082 /nfs/dbraw/zinc/34/20/82/953342082.db2.gz CJHSFXMPJMENON-UHFFFAOYSA-N -1 1 385.388 -0.252 20 0 GBADMM Cc1nocc1C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571254742 953342031 /nfs/dbraw/zinc/34/20/31/953342031.db2.gz CMNDHXHCCZMSAC-LLVKDONJSA-N -1 1 385.388 -0.282 20 0 GBADMM Cc1nocc1C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571254743 953341539 /nfs/dbraw/zinc/34/15/39/953341539.db2.gz CMNDHXHCCZMSAC-NSHDSACASA-N -1 1 385.388 -0.282 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H](O)CCc1ccccc1 ZINC001571254746 953342292 /nfs/dbraw/zinc/34/22/92/953342292.db2.gz CORDXQOHJHOQPC-GFCCVEGCSA-N -1 1 385.384 -0.761 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H](O)CCc1ccccc1 ZINC001571254747 953342302 /nfs/dbraw/zinc/34/23/02/953342302.db2.gz CORDXQOHJHOQPC-LBPRGKRZSA-N -1 1 385.384 -0.761 20 0 GBADMM Cc1cc(CC(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571254950 953344434 /nfs/dbraw/zinc/34/44/34/953344434.db2.gz DFKRHMXNOHFBMH-GFCCVEGCSA-N -1 1 385.388 -0.165 20 0 GBADMM Cc1cc(CC(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571254950 953344432 /nfs/dbraw/zinc/34/44/32/953344432.db2.gz DFKRHMXNOHFBMH-GFCCVEGCSA-N -1 1 385.388 -0.165 20 0 GBADMM Cc1cc(CC(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571254952 953344077 /nfs/dbraw/zinc/34/40/77/953344077.db2.gz DFKRHMXNOHFBMH-LBPRGKRZSA-N -1 1 385.388 -0.165 20 0 GBADMM Cc1cc(CC(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571254952 953344073 /nfs/dbraw/zinc/34/40/73/953344073.db2.gz DFKRHMXNOHFBMH-LBPRGKRZSA-N -1 1 385.388 -0.165 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571254954 953343828 /nfs/dbraw/zinc/34/38/28/953343828.db2.gz DGKHVYLGZPOKHB-GHMZBOCLSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571254954 953343824 /nfs/dbraw/zinc/34/38/24/953343824.db2.gz DGKHVYLGZPOKHB-GHMZBOCLSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)o1 ZINC001571254959 953344029 /nfs/dbraw/zinc/34/40/29/953344029.db2.gz DGKHVYLGZPOKHB-MNOVXSKESA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)o1 ZINC001571254959 953344027 /nfs/dbraw/zinc/34/40/27/953344027.db2.gz DGKHVYLGZPOKHB-MNOVXSKESA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)o1 ZINC001571254962 953344478 /nfs/dbraw/zinc/34/44/78/953344478.db2.gz DGKHVYLGZPOKHB-QWRGUYRKSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)o1 ZINC001571254962 953344476 /nfs/dbraw/zinc/34/44/76/953344476.db2.gz DGKHVYLGZPOKHB-QWRGUYRKSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571254964 953344391 /nfs/dbraw/zinc/34/43/91/953344391.db2.gz DGKHVYLGZPOKHB-WDEREUQCSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571254964 953344388 /nfs/dbraw/zinc/34/43/88/953344388.db2.gz DGKHVYLGZPOKHB-WDEREUQCSA-N -1 1 385.388 -0.369 20 0 GBADMM CCn1nncc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571254966 953344141 /nfs/dbraw/zinc/34/41/41/953344141.db2.gz DHONAYZNIIUDAM-JTQLQIEISA-N -1 1 385.392 -0.779 20 0 GBADMM CCn1nncc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571254966 953344137 /nfs/dbraw/zinc/34/41/37/953344137.db2.gz DHONAYZNIIUDAM-JTQLQIEISA-N -1 1 385.392 -0.779 20 0 GBADMM CCn1nncc1C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571254970 953344583 /nfs/dbraw/zinc/34/45/83/953344583.db2.gz DHONAYZNIIUDAM-SNVBAGLBSA-N -1 1 385.392 -0.779 20 0 GBADMM CCn1nncc1C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571254970 953344578 /nfs/dbraw/zinc/34/45/78/953344578.db2.gz DHONAYZNIIUDAM-SNVBAGLBSA-N -1 1 385.392 -0.779 20 0 GBADMM Cn1nc2c(c1NC(=O)CCn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)CCCC2 ZINC001571255045 953345407 /nfs/dbraw/zinc/34/54/07/953345407.db2.gz GDTPETLEUCUKOS-UHFFFAOYSA-N -1 1 385.388 -0.230 20 0 GBADMM CCn1ncc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571255070 953344893 /nfs/dbraw/zinc/34/48/93/953344893.db2.gz GPFQDZBTCFJHPI-JTQLQIEISA-N -1 1 385.392 -0.779 20 0 GBADMM CCn1ncc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571255070 953344890 /nfs/dbraw/zinc/34/48/90/953344890.db2.gz GPFQDZBTCFJHPI-JTQLQIEISA-N -1 1 385.392 -0.779 20 0 GBADMM CCn1ncc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571255072 953344789 /nfs/dbraw/zinc/34/47/89/953344789.db2.gz GPFQDZBTCFJHPI-SNVBAGLBSA-N -1 1 385.392 -0.779 20 0 GBADMM CCn1ncc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571255072 953344787 /nfs/dbraw/zinc/34/47/87/953344787.db2.gz GPFQDZBTCFJHPI-SNVBAGLBSA-N -1 1 385.392 -0.779 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccncc1F ZINC001571255115 953345481 /nfs/dbraw/zinc/34/54/81/953345481.db2.gz IRDNQYWOCYVCST-VXGBXAGGSA-N -1 1 385.363 -0.176 20 0 GBADMM COCCn1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571255184 953346202 /nfs/dbraw/zinc/34/62/02/953346202.db2.gz MEUZXPTVISPUSQ-MGCOHNPYSA-N -1 1 385.392 -0.733 20 0 GBADMM COCCn1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571255184 953346198 /nfs/dbraw/zinc/34/61/98/953346198.db2.gz MEUZXPTVISPUSQ-MGCOHNPYSA-N -1 1 385.392 -0.733 20 0 GBADMM O=C(N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@@H]1COC(=O)N1 ZINC001571255266 953347071 /nfs/dbraw/zinc/34/70/71/953347071.db2.gz GWAXXEKYWQVBRW-LYOVBCGYSA-N -1 1 385.388 -0.617 20 0 GBADMM O=C(N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@@H]1COC(=O)N1 ZINC001571255266 953347068 /nfs/dbraw/zinc/34/70/68/953347068.db2.gz GWAXXEKYWQVBRW-LYOVBCGYSA-N -1 1 385.388 -0.617 20 0 GBADMM O=C(N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@@H]1COC(=O)N1 ZINC001571255267 953347022 /nfs/dbraw/zinc/34/70/22/953347022.db2.gz GWAXXEKYWQVBRW-MMPTUQATSA-N -1 1 385.388 -0.617 20 0 GBADMM O=C(N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@@H]1COC(=O)N1 ZINC001571255267 953347018 /nfs/dbraw/zinc/34/70/18/953347018.db2.gz GWAXXEKYWQVBRW-MMPTUQATSA-N -1 1 385.388 -0.617 20 0 GBADMM O=C(N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@@H]1COC(=O)N1 ZINC001571255268 953346815 /nfs/dbraw/zinc/34/68/15/953346815.db2.gz GWAXXEKYWQVBRW-USBNGQNGSA-N -1 1 385.388 -0.617 20 0 GBADMM O=C(N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@@H]1COC(=O)N1 ZINC001571255268 953346810 /nfs/dbraw/zinc/34/68/10/953346810.db2.gz GWAXXEKYWQVBRW-USBNGQNGSA-N -1 1 385.388 -0.617 20 0 GBADMM O=C(N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@@H]1COC(=O)N1 ZINC001571255269 953347233 /nfs/dbraw/zinc/34/72/33/953347233.db2.gz GWAXXEKYWQVBRW-XMZIXOGTSA-N -1 1 385.388 -0.617 20 0 GBADMM O=C(N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@@H]1COC(=O)N1 ZINC001571255269 953347230 /nfs/dbraw/zinc/34/72/30/953347230.db2.gz GWAXXEKYWQVBRW-XMZIXOGTSA-N -1 1 385.388 -0.617 20 0 GBADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001571255317 953347905 /nfs/dbraw/zinc/34/79/05/953347905.db2.gz HWZSGLWDTUJWCC-GXSJLCMTSA-N -1 1 385.392 -0.955 20 0 GBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001571255318 953347603 /nfs/dbraw/zinc/34/76/03/953347603.db2.gz HWZSGLWDTUJWCC-KOLCDFICSA-N -1 1 385.392 -0.955 20 0 GBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001571255319 953347671 /nfs/dbraw/zinc/34/76/71/953347671.db2.gz HWZSGLWDTUJWCC-MWLCHTKSSA-N -1 1 385.392 -0.955 20 0 GBADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001571255320 953347773 /nfs/dbraw/zinc/34/77/73/953347773.db2.gz HWZSGLWDTUJWCC-ONGXEEELSA-N -1 1 385.392 -0.955 20 0 GBADMM CCOc1ccccc1CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571255323 953348108 /nfs/dbraw/zinc/34/81/08/953348108.db2.gz HYIVXAYDBDJJJU-UHFFFAOYSA-N -1 1 385.384 -0.113 20 0 GBADMM CCc1oncc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001571255333 953348004 /nfs/dbraw/zinc/34/80/04/953348004.db2.gz ICTZUTOTLJFEDW-JTQLQIEISA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1oncc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001571255333 953348000 /nfs/dbraw/zinc/34/80/00/953348000.db2.gz ICTZUTOTLJFEDW-JTQLQIEISA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1oncc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001571255334 953347721 /nfs/dbraw/zinc/34/77/21/953347721.db2.gz ICTZUTOTLJFEDW-SNVBAGLBSA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1oncc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001571255334 953347717 /nfs/dbraw/zinc/34/77/17/953347717.db2.gz ICTZUTOTLJFEDW-SNVBAGLBSA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1nc(C)c(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571255335 953348231 /nfs/dbraw/zinc/34/82/31/953348231.db2.gz IGKOKQBUZPPGOJ-NXEZZACHSA-N -1 1 385.388 -0.505 20 0 GBADMM CCc1nc(C)c(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571255335 953348228 /nfs/dbraw/zinc/34/82/28/953348228.db2.gz IGKOKQBUZPPGOJ-NXEZZACHSA-N -1 1 385.388 -0.505 20 0 GBADMM CN(C)c1cnc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)cn1 ZINC001571255352 953347562 /nfs/dbraw/zinc/34/75/62/953347562.db2.gz IQDROWZPIGCYNI-UHFFFAOYSA-N -1 1 385.392 -0.465 20 0 GBADMM CN(C)c1cnc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)cn1 ZINC001571255352 953347558 /nfs/dbraw/zinc/34/75/58/953347558.db2.gz IQDROWZPIGCYNI-UHFFFAOYSA-N -1 1 385.392 -0.465 20 0 GBADMM O=C(Cc1cnoc1)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571255356 953348213 /nfs/dbraw/zinc/34/82/13/953348213.db2.gz IQZYAMPJJDHEAG-UHFFFAOYSA-N -1 1 385.388 -0.347 20 0 GBADMM O=C(Cc1cnoc1)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571255356 953348209 /nfs/dbraw/zinc/34/82/09/953348209.db2.gz IQZYAMPJJDHEAG-UHFFFAOYSA-N -1 1 385.388 -0.347 20 0 GBADMM CCc1ncoc1C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001571255392 953348378 /nfs/dbraw/zinc/34/83/78/953348378.db2.gz IZFDTAFIOYMOAB-JTQLQIEISA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1ncoc1C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001571255392 953348375 /nfs/dbraw/zinc/34/83/75/953348375.db2.gz IZFDTAFIOYMOAB-JTQLQIEISA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1ncoc1C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001571255393 953348462 /nfs/dbraw/zinc/34/84/62/953348462.db2.gz IZFDTAFIOYMOAB-SNVBAGLBSA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1ncoc1C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001571255393 953348454 /nfs/dbraw/zinc/34/84/54/953348454.db2.gz IZFDTAFIOYMOAB-SNVBAGLBSA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1ocnc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001571255395 953349018 /nfs/dbraw/zinc/34/90/18/953349018.db2.gz JFCOHRHQSLDOTP-ZYHUDNBSSA-N -1 1 385.388 -0.159 20 0 GBADMM CCc1ocnc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001571255395 953349015 /nfs/dbraw/zinc/34/90/15/953349015.db2.gz JFCOHRHQSLDOTP-ZYHUDNBSSA-N -1 1 385.388 -0.159 20 0 GBADMM CCc1noc(C)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001571255399 953349219 /nfs/dbraw/zinc/34/92/19/953349219.db2.gz JGVGHFQRGOSCMM-MNOVXSKESA-N -1 1 385.388 -0.505 20 0 GBADMM CCc1noc(C)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001571255399 953349216 /nfs/dbraw/zinc/34/92/16/953349216.db2.gz JGVGHFQRGOSCMM-MNOVXSKESA-N -1 1 385.388 -0.505 20 0 GBADMM Cc1c(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)nnn1C ZINC001571255418 953348793 /nfs/dbraw/zinc/34/87/93/953348793.db2.gz OXFAVOAKOFNXRU-JTQLQIEISA-N -1 1 385.392 -0.953 20 0 GBADMM Cc1c(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)nnn1C ZINC001571255418 953348790 /nfs/dbraw/zinc/34/87/90/953348790.db2.gz OXFAVOAKOFNXRU-JTQLQIEISA-N -1 1 385.392 -0.953 20 0 GBADMM Cc1c(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)nnn1C ZINC001571255419 953348613 /nfs/dbraw/zinc/34/86/13/953348613.db2.gz OXFAVOAKOFNXRU-SNVBAGLBSA-N -1 1 385.392 -0.953 20 0 GBADMM Cc1c(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)nnn1C ZINC001571255419 953348609 /nfs/dbraw/zinc/34/86/09/953348609.db2.gz OXFAVOAKOFNXRU-SNVBAGLBSA-N -1 1 385.392 -0.953 20 0 GBADMM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571255527 953351360 /nfs/dbraw/zinc/35/13/60/953351360.db2.gz MWORBUCAGRQVCQ-PRHODGIISA-N -1 1 385.377 -0.138 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1(O)CCC(F)(F)CC1 ZINC001571255537 953351088 /nfs/dbraw/zinc/35/10/88/953351088.db2.gz NHWXSVHQAUCYGQ-UHFFFAOYSA-N -1 1 385.331 -0.814 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cncc(F)c1 ZINC001571255556 953351174 /nfs/dbraw/zinc/35/11/74/953351174.db2.gz OJZDYOYARZMNGQ-CHWSQXEVSA-N -1 1 385.363 -0.176 20 0 GBADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cncc(F)c1 ZINC001571255556 953351173 /nfs/dbraw/zinc/35/11/73/953351173.db2.gz OJZDYOYARZMNGQ-CHWSQXEVSA-N -1 1 385.363 -0.176 20 0 GBADMM Cc1cccnc1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571255618 953351705 /nfs/dbraw/zinc/35/17/05/953351705.db2.gz KKVULXVCUGYZJV-UHFFFAOYSA-N -1 1 385.388 -0.626 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)c3ccon3)[C@H](OC)C2)n1 ZINC001571255621 953351917 /nfs/dbraw/zinc/35/19/17/953351917.db2.gz KNWYEYWEOHCMAF-VXGBXAGGSA-N -1 1 385.388 -0.159 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)c3ccon3)[C@H](OC)C2)n1 ZINC001571255621 953351911 /nfs/dbraw/zinc/35/19/11/953351911.db2.gz KNWYEYWEOHCMAF-VXGBXAGGSA-N -1 1 385.388 -0.159 20 0 GBADMM Cn1ncc(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571255639 953352424 /nfs/dbraw/zinc/35/24/24/953352424.db2.gz RGBHPYLMMMRRPW-JTQLQIEISA-N -1 1 385.392 -0.872 20 0 GBADMM Cn1ncc(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571255639 953352419 /nfs/dbraw/zinc/35/24/19/953352419.db2.gz RGBHPYLMMMRRPW-JTQLQIEISA-N -1 1 385.392 -0.872 20 0 GBADMM Cn1ncc(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571255640 953352120 /nfs/dbraw/zinc/35/21/20/953352120.db2.gz RGBHPYLMMMRRPW-SNVBAGLBSA-N -1 1 385.392 -0.872 20 0 GBADMM Cn1ncc(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571255640 953352114 /nfs/dbraw/zinc/35/21/14/953352114.db2.gz RGBHPYLMMMRRPW-SNVBAGLBSA-N -1 1 385.392 -0.872 20 0 GBADMM CCc1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC ZINC001571255653 953352201 /nfs/dbraw/zinc/35/22/01/953352201.db2.gz KUBAFJVSKCTMAJ-ZYHUDNBSSA-N -1 1 385.388 -0.159 20 0 GBADMM CCc1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC ZINC001571255653 953352195 /nfs/dbraw/zinc/35/21/95/953352195.db2.gz KUBAFJVSKCTMAJ-ZYHUDNBSSA-N -1 1 385.388 -0.159 20 0 GBADMM Cc1noc(C)c1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571255684 953353667 /nfs/dbraw/zinc/35/36/67/953353667.db2.gz LIXPAWILMRDHGQ-GHMZBOCLSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1noc(C)c1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571255686 953353344 /nfs/dbraw/zinc/35/33/44/953353344.db2.gz LIXPAWILMRDHGQ-MNOVXSKESA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1noc(C)c1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571255688 953354367 /nfs/dbraw/zinc/35/43/67/953354367.db2.gz LIXPAWILMRDHGQ-QWRGUYRKSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1noc(C)c1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571255690 953354707 /nfs/dbraw/zinc/35/47/07/953354707.db2.gz LIXPAWILMRDHGQ-WDEREUQCSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3cnnn3C)CCO2)n1 ZINC001571255692 953353191 /nfs/dbraw/zinc/35/31/91/953353191.db2.gz SCPSDMQRQWLPPL-JTQLQIEISA-N -1 1 385.392 -0.953 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3cnnn3C)CCO2)n1 ZINC001571255692 953353179 /nfs/dbraw/zinc/35/31/79/953353179.db2.gz SCPSDMQRQWLPPL-JTQLQIEISA-N -1 1 385.392 -0.953 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2OC)no1 ZINC001571255693 953354323 /nfs/dbraw/zinc/35/43/23/953354323.db2.gz LLESYRGRSUDOMI-VXGBXAGGSA-N -1 1 385.388 -0.159 20 0 GBADMM CCc1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2OC)no1 ZINC001571255693 953354312 /nfs/dbraw/zinc/35/43/12/953354312.db2.gz LLESYRGRSUDOMI-VXGBXAGGSA-N -1 1 385.388 -0.159 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3cnnn3C)CCO2)n1 ZINC001571255694 953354624 /nfs/dbraw/zinc/35/46/24/953354624.db2.gz SCPSDMQRQWLPPL-SNVBAGLBSA-N -1 1 385.392 -0.953 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3cnnn3C)CCO2)n1 ZINC001571255694 953354620 /nfs/dbraw/zinc/35/46/20/953354620.db2.gz SCPSDMQRQWLPPL-SNVBAGLBSA-N -1 1 385.392 -0.953 20 0 GBADMM Cc1cc(C)c(CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cn1 ZINC001571255717 953353479 /nfs/dbraw/zinc/35/34/79/953353479.db2.gz MBDHAAAGWKCHRB-UHFFFAOYSA-N -1 1 385.388 -0.360 20 0 GBADMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571255734 953354075 /nfs/dbraw/zinc/35/40/75/953354075.db2.gz MEINEXFLEPXEFH-LLVKDONJSA-N -1 1 385.388 -0.167 20 0 GBADMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571255736 953353509 /nfs/dbraw/zinc/35/35/09/953353509.db2.gz MEINEXFLEPXEFH-NSHDSACASA-N -1 1 385.388 -0.167 20 0 GBADMM Cc1noc(C)c1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001571255750 953354203 /nfs/dbraw/zinc/35/42/03/953354203.db2.gz MMBWOSBCPVXMCD-LLVKDONJSA-N -1 1 385.388 -0.103 20 0 GBADMM Cc1noc(C)c1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001571255750 953354197 /nfs/dbraw/zinc/35/41/97/953354197.db2.gz MMBWOSBCPVXMCD-LLVKDONJSA-N -1 1 385.388 -0.103 20 0 GBADMM Cc1noc(C)c1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001571255751 953353952 /nfs/dbraw/zinc/35/39/52/953353952.db2.gz MMBWOSBCPVXMCD-NSHDSACASA-N -1 1 385.388 -0.103 20 0 GBADMM Cc1noc(C)c1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001571255751 953353944 /nfs/dbraw/zinc/35/39/44/953353944.db2.gz MMBWOSBCPVXMCD-NSHDSACASA-N -1 1 385.388 -0.103 20 0 GBADMM Cc1ncc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)o1 ZINC001571255756 953353562 /nfs/dbraw/zinc/35/35/62/953353562.db2.gz MVFPLMXQEVUTLP-AAEUAGOBSA-N -1 1 385.388 -0.748 20 0 GBADMM Cc1ncc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)o1 ZINC001571255756 953353557 /nfs/dbraw/zinc/35/35/57/953353557.db2.gz MVFPLMXQEVUTLP-AAEUAGOBSA-N -1 1 385.388 -0.748 20 0 GBADMM Cc1ncc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)o1 ZINC001571255757 953353740 /nfs/dbraw/zinc/35/37/40/953353740.db2.gz MVFPLMXQEVUTLP-DGCLKSJQSA-N -1 1 385.388 -0.748 20 0 GBADMM Cc1ncc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)o1 ZINC001571255757 953353732 /nfs/dbraw/zinc/35/37/32/953353732.db2.gz MVFPLMXQEVUTLP-DGCLKSJQSA-N -1 1 385.388 -0.748 20 0 GBADMM Cc1ncc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)o1 ZINC001571255758 953354026 /nfs/dbraw/zinc/35/40/26/953354026.db2.gz MVFPLMXQEVUTLP-WCQYABFASA-N -1 1 385.388 -0.748 20 0 GBADMM Cc1ncc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)o1 ZINC001571255758 953354017 /nfs/dbraw/zinc/35/40/17/953354017.db2.gz MVFPLMXQEVUTLP-WCQYABFASA-N -1 1 385.388 -0.748 20 0 GBADMM Cc1ncc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)o1 ZINC001571255759 953354136 /nfs/dbraw/zinc/35/41/36/953354136.db2.gz MVFPLMXQEVUTLP-YPMHNXCESA-N -1 1 385.388 -0.748 20 0 GBADMM Cc1ncc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)o1 ZINC001571255759 953354124 /nfs/dbraw/zinc/35/41/24/953354124.db2.gz MVFPLMXQEVUTLP-YPMHNXCESA-N -1 1 385.388 -0.748 20 0 GBADMM O=C(CN1CCNC(=O)C1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001571255889 953357535 /nfs/dbraw/zinc/35/75/35/953357535.db2.gz RAOREMWVSAIGMR-UHFFFAOYSA-N -1 1 385.363 -0.438 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571255909 953357988 /nfs/dbraw/zinc/35/79/88/953357988.db2.gz WJPUOJCVMQQVJY-GZMMTYOYSA-N -1 1 385.392 -0.575 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571255913 953357370 /nfs/dbraw/zinc/35/73/70/953357370.db2.gz WJPUOJCVMQQVJY-KCJUWKMLSA-N -1 1 385.392 -0.575 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571255915 953357491 /nfs/dbraw/zinc/35/74/91/953357491.db2.gz WJPUOJCVMQQVJY-KWQFWETISA-N -1 1 385.392 -0.575 20 0 GBADMM Cc1n[nH]nc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571255917 953357659 /nfs/dbraw/zinc/35/76/59/953357659.db2.gz WJPUOJCVMQQVJY-LDYMZIIASA-N -1 1 385.392 -0.575 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cncc(F)c3)[C@@H](O)C2)n1 ZINC001571255922 953360474 /nfs/dbraw/zinc/36/04/74/953360474.db2.gz RPNFZPFFVPRRBU-OLZOCXBDSA-N -1 1 385.363 -0.521 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cncc(F)c3)[C@@H](O)C2)n1 ZINC001571255922 953360466 /nfs/dbraw/zinc/36/04/66/953360466.db2.gz RPNFZPFFVPRRBU-OLZOCXBDSA-N -1 1 385.363 -0.521 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)no1 ZINC001571255953 953359180 /nfs/dbraw/zinc/35/91/80/953359180.db2.gz MYCXGJZABJDORB-LLVKDONJSA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1cc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)no1 ZINC001571255953 953359175 /nfs/dbraw/zinc/35/91/75/953359175.db2.gz MYCXGJZABJDORB-LLVKDONJSA-N -1 1 385.388 -0.022 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1cncc(F)c1 ZINC001571255955 953359514 /nfs/dbraw/zinc/35/95/14/953359514.db2.gz SGIWHCWRUQNSKT-CHWSQXEVSA-N -1 1 385.363 -0.176 20 0 GBADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1cncc(F)c1 ZINC001571255955 953359507 /nfs/dbraw/zinc/35/95/07/953359507.db2.gz SGIWHCWRUQNSKT-CHWSQXEVSA-N -1 1 385.363 -0.176 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)no1 ZINC001571255956 953359126 /nfs/dbraw/zinc/35/91/26/953359126.db2.gz MYCXGJZABJDORB-NSHDSACASA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1cc(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)no1 ZINC001571255956 953359120 /nfs/dbraw/zinc/35/91/20/953359120.db2.gz MYCXGJZABJDORB-NSHDSACASA-N -1 1 385.388 -0.022 20 0 GBADMM O=C(NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)c1ccncc1F ZINC001571255963 953359694 /nfs/dbraw/zinc/35/96/94/953359694.db2.gz SMTYOKIUAXSODJ-JTQLQIEISA-N -1 1 385.363 -0.174 20 0 GBADMM O=C(NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)c1ccncc1F ZINC001571255963 953359686 /nfs/dbraw/zinc/35/96/86/953359686.db2.gz SMTYOKIUAXSODJ-JTQLQIEISA-N -1 1 385.363 -0.174 20 0 GBADMM CCc1nc(NC[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571256003 953361666 /nfs/dbraw/zinc/36/16/66/953361666.db2.gz NXCHKUBGWPQYPW-SECBINFHSA-N -1 1 385.392 -0.710 20 0 GBADMM CCc1nc(NC[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571256004 953362338 /nfs/dbraw/zinc/36/23/38/953362338.db2.gz NXCHKUBGWPQYPW-VIFPVBQESA-N -1 1 385.392 -0.710 20 0 GBADMM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)[nH]1 ZINC001571256008 953360947 /nfs/dbraw/zinc/36/09/47/953360947.db2.gz ODXADPRWDOPRKJ-SCZZXKLOSA-N -1 1 385.388 -0.096 20 0 GBADMM COCCn1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571256036 953362142 /nfs/dbraw/zinc/36/21/42/953362142.db2.gz ORGOJRQUBXPAPG-SNVBAGLBSA-N -1 1 385.392 -0.779 20 0 GBADMM COCCn1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571256036 953362134 /nfs/dbraw/zinc/36/21/34/953362134.db2.gz ORGOJRQUBXPAPG-SNVBAGLBSA-N -1 1 385.392 -0.779 20 0 GBADMM O=C(c1ccon1)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571256043 953361353 /nfs/dbraw/zinc/36/13/53/953361353.db2.gz OXKBMRNZAZGYOJ-UHFFFAOYSA-N -1 1 385.388 -0.252 20 0 GBADMM Cn1nncc1C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571256171 953365884 /nfs/dbraw/zinc/36/58/84/953365884.db2.gz ZTAIPHBMRGWQGL-JTQLQIEISA-N -1 1 385.392 -0.872 20 0 GBADMM Cn1nncc1C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571256171 953365876 /nfs/dbraw/zinc/36/58/76/953365876.db2.gz ZTAIPHBMRGWQGL-JTQLQIEISA-N -1 1 385.392 -0.872 20 0 GBADMM Cn1nncc1C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571256172 953365522 /nfs/dbraw/zinc/36/55/22/953365522.db2.gz ZTAIPHBMRGWQGL-SNVBAGLBSA-N -1 1 385.392 -0.872 20 0 GBADMM Cn1nncc1C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571256172 953365516 /nfs/dbraw/zinc/36/55/16/953365516.db2.gz ZTAIPHBMRGWQGL-SNVBAGLBSA-N -1 1 385.392 -0.872 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1oc(C)nc1C ZINC001571256201 953364947 /nfs/dbraw/zinc/36/49/47/953364947.db2.gz PYTDPNYMFVHWNS-GHMZBOCLSA-N -1 1 385.388 -0.105 20 0 GBADMM O=C([C@@H]1COC(=O)N1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571256202 953366293 /nfs/dbraw/zinc/36/62/93/953366293.db2.gz QBFSDTNARNYYMN-AXFHLTTASA-N -1 1 385.388 -0.665 20 0 GBADMM O=C([C@H]1COC(=O)N1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571256203 953365269 /nfs/dbraw/zinc/36/52/69/953365269.db2.gz QBFSDTNARNYYMN-OUAUKWLOSA-N -1 1 385.388 -0.665 20 0 GBADMM O=C(Cc1cnn2c1CCCC2)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571256204 953366413 /nfs/dbraw/zinc/36/64/13/953366413.db2.gz QCRIKDWIRBLAGJ-UHFFFAOYSA-N -1 1 385.388 -0.979 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)c1ccncc1F ZINC001571256223 953365054 /nfs/dbraw/zinc/36/50/54/953365054.db2.gz SMTYOKIUAXSODJ-SNVBAGLBSA-N -1 1 385.363 -0.174 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)c1ccncc1F ZINC001571256223 953365043 /nfs/dbraw/zinc/36/50/43/953365043.db2.gz SMTYOKIUAXSODJ-SNVBAGLBSA-N -1 1 385.363 -0.174 20 0 GBADMM CCc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)no1 ZINC001571256240 953364925 /nfs/dbraw/zinc/36/49/25/953364925.db2.gz QVAWQWQISVKTNN-JTQLQIEISA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)no1 ZINC001571256240 953364911 /nfs/dbraw/zinc/36/49/11/953364911.db2.gz QVAWQWQISVKTNN-JTQLQIEISA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)no1 ZINC001571256241 953365736 /nfs/dbraw/zinc/36/57/36/953365736.db2.gz QVAWQWQISVKTNN-SNVBAGLBSA-N -1 1 385.388 -0.158 20 0 GBADMM CCc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)no1 ZINC001571256241 953365732 /nfs/dbraw/zinc/36/57/32/953365732.db2.gz QVAWQWQISVKTNN-SNVBAGLBSA-N -1 1 385.388 -0.158 20 0 GBADMM Cc1ncoc1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001571256243 953368235 /nfs/dbraw/zinc/36/82/35/953368235.db2.gz QVUZOFZXLMWRKL-LLVKDONJSA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1ncoc1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001571256243 953368227 /nfs/dbraw/zinc/36/82/27/953368227.db2.gz QVUZOFZXLMWRKL-LLVKDONJSA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1ncoc1C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001571256245 953367322 /nfs/dbraw/zinc/36/73/22/953367322.db2.gz QVUZOFZXLMWRKL-NSHDSACASA-N -1 1 385.388 -0.022 20 0 GBADMM Cc1ncoc1C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001571256245 953367316 /nfs/dbraw/zinc/36/73/16/953367316.db2.gz QVUZOFZXLMWRKL-NSHDSACASA-N -1 1 385.388 -0.022 20 0 GBADMM CCCc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)no1 ZINC001571256253 953366917 /nfs/dbraw/zinc/36/69/17/953366917.db2.gz RESNAMCNQZJKQU-NEPJUHHUSA-N -1 1 385.388 -0.423 20 0 GBADMM CCOCc1ccccc1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571256264 953368448 /nfs/dbraw/zinc/36/84/48/953368448.db2.gz RKWIQBAMYJTMPA-UHFFFAOYSA-N -1 1 385.384 -0.018 20 0 GBADMM Cc1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)c(C)o1 ZINC001571256267 953367812 /nfs/dbraw/zinc/36/78/12/953367812.db2.gz RPHMBDHSUPJDJP-CMPLNLGQSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)c(C)o1 ZINC001571256267 953367798 /nfs/dbraw/zinc/36/77/98/953367798.db2.gz RPHMBDHSUPJDJP-CMPLNLGQSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)c(C)o1 ZINC001571256268 953367950 /nfs/dbraw/zinc/36/79/50/953367950.db2.gz RPHMBDHSUPJDJP-JQWIXIFHSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)c(C)o1 ZINC001571256268 953367942 /nfs/dbraw/zinc/36/79/42/953367942.db2.gz RPHMBDHSUPJDJP-JQWIXIFHSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)c(C)o1 ZINC001571256270 953368063 /nfs/dbraw/zinc/36/80/63/953368063.db2.gz RPHMBDHSUPJDJP-PWSUYJOCSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)c(C)o1 ZINC001571256270 953368055 /nfs/dbraw/zinc/36/80/55/953368055.db2.gz RPHMBDHSUPJDJP-PWSUYJOCSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)c(C)o1 ZINC001571256271 953367899 /nfs/dbraw/zinc/36/78/99/953367899.db2.gz RPHMBDHSUPJDJP-ZYHUDNBSSA-N -1 1 385.388 -0.369 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)c(C)o1 ZINC001571256271 953367896 /nfs/dbraw/zinc/36/78/96/953367896.db2.gz RPHMBDHSUPJDJP-ZYHUDNBSSA-N -1 1 385.388 -0.369 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H]1COc2ccccc2O1 ZINC001571256281 953368538 /nfs/dbraw/zinc/36/85/38/953368538.db2.gz UGCNZONGIONXSB-SECBINFHSA-N -1 1 385.340 -0.915 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H]1COc2ccccc2O1 ZINC001571256285 953367371 /nfs/dbraw/zinc/36/73/71/953367371.db2.gz UGCNZONGIONXSB-VIFPVBQESA-N -1 1 385.340 -0.915 20 0 GBADMM O=C(N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)[C@@H]1COC(=O)N1 ZINC001571256317 953368689 /nfs/dbraw/zinc/36/86/89/953368689.db2.gz STADVHKZNKMGHS-QEKSWQHZSA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)[C@@H]1COC(=O)N1 ZINC001571256317 953368678 /nfs/dbraw/zinc/36/86/78/953368678.db2.gz STADVHKZNKMGHS-QEKSWQHZSA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)[C@H]1COC(=O)N1 ZINC001571256318 953368364 /nfs/dbraw/zinc/36/83/64/953368364.db2.gz STADVHKZNKMGHS-ZXLZKYRFSA-N -1 1 385.388 -0.760 20 0 GBADMM O=C(N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)[C@H]1COC(=O)N1 ZINC001571256318 953368357 /nfs/dbraw/zinc/36/83/57/953368357.db2.gz STADVHKZNKMGHS-ZXLZKYRFSA-N -1 1 385.388 -0.760 20 0 GBADMM COC(=O)c1ccccc1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571256319 953368722 /nfs/dbraw/zinc/36/87/22/953368722.db2.gz UUAHYZXLBZNNQG-UHFFFAOYSA-N -1 1 385.340 -0.768 20 0 GBADMM COC(=O)C1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC(CO)C1 ZINC001571256363 953369139 /nfs/dbraw/zinc/36/91/39/953369139.db2.gz WCIOHIFWIKRRDY-UHFFFAOYSA-N -1 1 385.377 -0.402 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571256390 953371133 /nfs/dbraw/zinc/37/11/33/953371133.db2.gz SYRKRIVQZOWLST-NXEZZACHSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)no1 ZINC001571256391 953369476 /nfs/dbraw/zinc/36/94/76/953369476.db2.gz SZBAECOVTGOWRA-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)no1 ZINC001571256391 953369468 /nfs/dbraw/zinc/36/94/68/953369468.db2.gz SZBAECOVTGOWRA-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001571256392 953370302 /nfs/dbraw/zinc/37/03/02/953370302.db2.gz SZCZIKIUHHOFFB-GHMZBOCLSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001571256392 953370292 /nfs/dbraw/zinc/37/02/92/953370292.db2.gz SZCZIKIUHHOFFB-GHMZBOCLSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001571256393 953369236 /nfs/dbraw/zinc/36/92/36/953369236.db2.gz SZCZIKIUHHOFFB-MNOVXSKESA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001571256393 953369225 /nfs/dbraw/zinc/36/92/25/953369225.db2.gz SZCZIKIUHHOFFB-MNOVXSKESA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001571256394 953369625 /nfs/dbraw/zinc/36/96/25/953369625.db2.gz SZCZIKIUHHOFFB-QWRGUYRKSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001571256394 953369613 /nfs/dbraw/zinc/36/96/13/953369613.db2.gz SZCZIKIUHHOFFB-QWRGUYRKSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001571256395 953369433 /nfs/dbraw/zinc/36/94/33/953369433.db2.gz SZCZIKIUHHOFFB-WDEREUQCSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001571256395 953369425 /nfs/dbraw/zinc/36/94/25/953369425.db2.gz SZCZIKIUHHOFFB-WDEREUQCSA-N -1 1 385.392 -0.851 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC(n2cccn2)CC1 ZINC001571256401 953370445 /nfs/dbraw/zinc/37/04/45/953370445.db2.gz TXSVQCXKFKPWEH-UHFFFAOYSA-N -1 1 385.388 -0.421 20 0 GBADMM NC(=O)c1csc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571257707 945343389 /nfs/dbraw/zinc/34/33/89/945343389.db2.gz HKPQJZIHDHNZJW-VIFPVBQESA-N -1 1 385.413 -0.174 20 0 GBADMM NC(=O)c1csc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571257707 945343378 /nfs/dbraw/zinc/34/33/78/945343378.db2.gz HKPQJZIHDHNZJW-VIFPVBQESA-N -1 1 385.413 -0.174 20 0 GBADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)c1-c1nn[n-]n1 ZINC001571257730 945341372 /nfs/dbraw/zinc/34/13/72/945341372.db2.gz ICMFAEDAMNGFMA-JDICNCQASA-N -1 1 385.413 -0.420 20 0 GBADMM NC(=O)c1csc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571257733 945341439 /nfs/dbraw/zinc/34/14/39/945341439.db2.gz IMMVHEMERRDLAC-SECBINFHSA-N -1 1 385.413 -0.434 20 0 GBADMM O=C(Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1)[C@@H]1CSCC(=O)N1 ZINC001571258164 945351659 /nfs/dbraw/zinc/35/16/59/945351659.db2.gz NJYAGYACPNEKRH-JTQLQIEISA-N -1 1 385.413 -0.323 20 0 GBADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1csc(=O)[nH]1 ZINC001571258228 945351201 /nfs/dbraw/zinc/35/12/01/945351201.db2.gz NUZQMFOKIQUKRY-PSVAKVPMSA-N -1 1 385.413 -0.069 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571258274 945349372 /nfs/dbraw/zinc/34/93/72/945349372.db2.gz OLBHXNXFEMXGCP-MRVPVSSYSA-N -1 1 385.413 -0.174 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571258275 945351391 /nfs/dbraw/zinc/35/13/91/945351391.db2.gz OLBHXNXFEMXGCP-QMMMGPOBSA-N -1 1 385.413 -0.174 20 0 GBADMM CC(=O)N1CCC(NC(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)CC1 ZINC001571258501 945355381 /nfs/dbraw/zinc/35/53/81/945355381.db2.gz TXOIBWBIKLSXKX-UHFFFAOYSA-N -1 1 385.428 -0.356 20 0 GBADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001571258667 945360734 /nfs/dbraw/zinc/36/07/34/945360734.db2.gz YTWLWDVRPXWOAZ-GHMZBOCLSA-N -1 1 385.421 -0.074 20 0 GBADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001571258668 945360902 /nfs/dbraw/zinc/36/09/02/945360902.db2.gz YTWLWDVRPXWOAZ-MNOVXSKESA-N -1 1 385.421 -0.074 20 0 GBADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001571258669 945362297 /nfs/dbraw/zinc/36/22/97/945362297.db2.gz YTWLWDVRPXWOAZ-QWRGUYRKSA-N -1 1 385.421 -0.074 20 0 GBADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001571258670 945362011 /nfs/dbraw/zinc/36/20/11/945362011.db2.gz YTWLWDVRPXWOAZ-WDEREUQCSA-N -1 1 385.421 -0.074 20 0 GBADMM CN(CC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571258716 945364005 /nfs/dbraw/zinc/36/40/05/945364005.db2.gz ABBPMQVGOQGURS-LBPRGKRZSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(CC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571258716 945363995 /nfs/dbraw/zinc/36/39/95/945363995.db2.gz ABBPMQVGOQGURS-LBPRGKRZSA-N -1 1 385.432 -0.390 20 0 GBADMM CC1(C)CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571258722 945365188 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CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001571258848 945367985 /nfs/dbraw/zinc/36/79/85/945367985.db2.gz DBJZKUZGZYUHSO-NSHDSACASA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001571258848 945367972 /nfs/dbraw/zinc/36/79/72/945367972.db2.gz DBJZKUZGZYUHSO-NSHDSACASA-N -1 1 385.432 -0.390 20 0 GBADMM CC1(C)CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571258849 945365929 /nfs/dbraw/zinc/36/59/29/945365929.db2.gz DDFJTVIEPNFJCJ-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM CC1(C)CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571258849 945365914 /nfs/dbraw/zinc/36/59/14/945365914.db2.gz DDFJTVIEPNFJCJ-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM CC1(C)CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571258850 945365661 /nfs/dbraw/zinc/36/56/61/945365661.db2.gz DDFJTVIEPNFJCJ-ZYHUDNBSSA-N -1 1 385.432 -0.026 20 0 GBADMM CC1(C)CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571258850 945365650 /nfs/dbraw/zinc/36/56/50/945365650.db2.gz DDFJTVIEPNFJCJ-ZYHUDNBSSA-N -1 1 385.432 -0.026 20 0 GBADMM CCN1C[C@H](C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001571258862 945366161 /nfs/dbraw/zinc/36/61/61/945366161.db2.gz DGOXNRFQXQNTRL-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CCN1C[C@@H](C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001571258863 945366093 /nfs/dbraw/zinc/36/60/93/945366093.db2.gz DGOXNRFQXQNTRL-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CCN1C[C@@H](C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001571258864 945366811 /nfs/dbraw/zinc/36/68/11/945366811.db2.gz DGOXNRFQXQNTRL-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CCN1C[C@H](C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001571258865 945366202 /nfs/dbraw/zinc/36/62/02/945366202.db2.gz DGOXNRFQXQNTRL-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC001571258879 945370333 /nfs/dbraw/zinc/37/03/33/945370333.db2.gz DLBLBHCZEACQEI-LLVKDONJSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC001571258879 945370324 /nfs/dbraw/zinc/37/03/24/945370324.db2.gz DLBLBHCZEACQEI-LLVKDONJSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC001571258880 945368987 /nfs/dbraw/zinc/36/89/87/945368987.db2.gz DLBLBHCZEACQEI-NSHDSACASA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC001571258880 945368975 /nfs/dbraw/zinc/36/89/75/945368975.db2.gz DLBLBHCZEACQEI-NSHDSACASA-N -1 1 385.432 -0.390 20 0 GBADMM CN(C(=O)C[C@H]1CCCC(=O)N1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571258889 945369119 /nfs/dbraw/zinc/36/91/19/945369119.db2.gz DQWMKFOPGJYSKP-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM CN(C(=O)C[C@H]1CCCC(=O)N1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571258889 945369105 /nfs/dbraw/zinc/36/91/05/945369105.db2.gz DQWMKFOPGJYSKP-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM CN(C(=O)C[C@@H]1CCCC(=O)N1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571258890 945369018 /nfs/dbraw/zinc/36/90/18/945369018.db2.gz DQWMKFOPGJYSKP-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM CN(C(=O)C[C@@H]1CCCC(=O)N1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571258890 945369014 /nfs/dbraw/zinc/36/90/14/945369014.db2.gz DQWMKFOPGJYSKP-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM CN(C(=O)C[C@@H]1CCCC(=O)N1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571258891 945371003 /nfs/dbraw/zinc/37/10/03/945371003.db2.gz DQWMKFOPGJYSKP-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM CN(C(=O)C[C@@H]1CCCC(=O)N1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571258891 945370992 /nfs/dbraw/zinc/37/09/92/945370992.db2.gz DQWMKFOPGJYSKP-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM CN(C(=O)C[C@H]1CCCC(=O)N1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571258892 945369051 /nfs/dbraw/zinc/36/90/51/945369051.db2.gz DQWMKFOPGJYSKP-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM CN(C(=O)C[C@H]1CCCC(=O)N1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571258892 945369044 /nfs/dbraw/zinc/36/90/44/945369044.db2.gz DQWMKFOPGJYSKP-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001571258894 945370104 /nfs/dbraw/zinc/37/01/04/945370104.db2.gz DZGFJCXUIKNTOV-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001571258894 945370093 /nfs/dbraw/zinc/37/00/93/945370093.db2.gz DZGFJCXUIKNTOV-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001571258895 945369692 /nfs/dbraw/zinc/36/96/92/945369692.db2.gz DZGFJCXUIKNTOV-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001571258895 945369681 /nfs/dbraw/zinc/36/96/81/945369681.db2.gz DZGFJCXUIKNTOV-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM CCN1C[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1=O ZINC001571258908 945368787 /nfs/dbraw/zinc/36/87/87/945368787.db2.gz FFPXFXNMZAEHQU-SDDRHHMPSA-N -1 1 385.432 -0.168 20 0 GBADMM CCN1C[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1=O ZINC001571258908 945368775 /nfs/dbraw/zinc/36/87/75/945368775.db2.gz FFPXFXNMZAEHQU-SDDRHHMPSA-N -1 1 385.432 -0.168 20 0 GBADMM CCN1C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1=O ZINC001571258909 945369906 /nfs/dbraw/zinc/36/99/06/945369906.db2.gz FFPXFXNMZAEHQU-UTUOFQBUSA-N -1 1 385.432 -0.168 20 0 GBADMM CCN1C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1=O ZINC001571258909 945369895 /nfs/dbraw/zinc/36/98/95/945369895.db2.gz FFPXFXNMZAEHQU-UTUOFQBUSA-N -1 1 385.432 -0.168 20 0 GBADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001571258910 945369451 /nfs/dbraw/zinc/36/94/51/945369451.db2.gz FKBHGVLXDVJJHP-DIFFPNOSSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001571258911 945368937 /nfs/dbraw/zinc/36/89/37/945368937.db2.gz FKBHGVLXDVJJHP-PIGZYNQJSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001571258912 945369640 /nfs/dbraw/zinc/36/96/40/945369640.db2.gz FKKUNINZRQFSRI-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001571258912 945369628 /nfs/dbraw/zinc/36/96/28/945369628.db2.gz FKKUNINZRQFSRI-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001571258913 945370556 /nfs/dbraw/zinc/37/05/56/945370556.db2.gz FKKUNINZRQFSRI-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001571258913 945370544 /nfs/dbraw/zinc/37/05/44/945370544.db2.gz FKKUNINZRQFSRI-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1=O ZINC001571258914 945368877 /nfs/dbraw/zinc/36/88/77/945368877.db2.gz ABGGOPAZKOEIGP-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1=O ZINC001571258914 945368865 /nfs/dbraw/zinc/36/88/65/945368865.db2.gz ABGGOPAZKOEIGP-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1=O ZINC001571258915 945369936 /nfs/dbraw/zinc/36/99/36/945369936.db2.gz ABGGOPAZKOEIGP-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1=O ZINC001571258915 945369926 /nfs/dbraw/zinc/36/99/26/945369926.db2.gz ABGGOPAZKOEIGP-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571258916 945370200 /nfs/dbraw/zinc/37/02/00/945370200.db2.gz ABQQYJQNLLGOQA-FVCCEPFGSA-N -1 1 385.432 -0.787 20 0 GBADMM CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571258917 945371065 /nfs/dbraw/zinc/37/10/65/945371065.db2.gz ABQQYJQNLLGOQA-NDBYEHHHSA-N -1 1 385.432 -0.787 20 0 GBADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCNC(=O)CC1 ZINC001571258920 945368589 /nfs/dbraw/zinc/36/85/89/945368589.db2.gz ACICDOQONBUWHZ-LLVKDONJSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCNC(=O)CC1 ZINC001571258920 945368582 /nfs/dbraw/zinc/36/85/82/945368582.db2.gz ACICDOQONBUWHZ-LLVKDONJSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCNC(=O)CC1 ZINC001571258921 945370784 /nfs/dbraw/zinc/37/07/84/945370784.db2.gz ACICDOQONBUWHZ-NSHDSACASA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCNC(=O)CC1 ZINC001571258921 945370774 /nfs/dbraw/zinc/37/07/74/945370774.db2.gz ACICDOQONBUWHZ-NSHDSACASA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCCC2=O)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571258922 945369871 /nfs/dbraw/zinc/36/98/71/945369871.db2.gz ACLVPJXPLRASSM-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCCC2=O)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571258922 945369859 /nfs/dbraw/zinc/36/98/59/945369859.db2.gz ACLVPJXPLRASSM-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM O=C(CN1CCCCC1=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571258935 945368614 /nfs/dbraw/zinc/36/86/14/945368614.db2.gz ALVDEUNJAMZIKQ-UHFFFAOYSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCCC1=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571258935 945368606 /nfs/dbraw/zinc/36/86/06/945368606.db2.gz ALVDEUNJAMZIKQ-UHFFFAOYSA-N -1 1 385.432 -0.024 20 0 GBADMM CN1CC[C@@H](CC(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)C1=O ZINC001571258936 945369302 /nfs/dbraw/zinc/36/93/02/945369302.db2.gz AUSDQTWDADTONA-CXQJBGSLSA-N -1 1 385.432 -0.168 20 0 GBADMM CN1CC[C@@H](CC(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)C1=O ZINC001571258936 945369290 /nfs/dbraw/zinc/36/92/90/945369290.db2.gz AUSDQTWDADTONA-CXQJBGSLSA-N -1 1 385.432 -0.168 20 0 GBADMM CN1CC[C@H](CC(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)C1=O ZINC001571258937 945368565 /nfs/dbraw/zinc/36/85/65/945368565.db2.gz AUSDQTWDADTONA-MOENNCHZSA-N -1 1 385.432 -0.168 20 0 GBADMM CN1CC[C@H](CC(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)C1=O ZINC001571258937 945368557 /nfs/dbraw/zinc/36/85/57/945368557.db2.gz AUSDQTWDADTONA-MOENNCHZSA-N -1 1 385.432 -0.168 20 0 GBADMM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571258938 945370662 /nfs/dbraw/zinc/37/06/62/945370662.db2.gz AVNVVOKIXZIRSI-AAEUAGOBSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571258938 945370651 /nfs/dbraw/zinc/37/06/51/945370651.db2.gz AVNVVOKIXZIRSI-AAEUAGOBSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571258939 945370411 /nfs/dbraw/zinc/37/04/11/945370411.db2.gz AVNVVOKIXZIRSI-YPMHNXCESA-N -1 1 385.432 -0.072 20 0 GBADMM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571258939 945370398 /nfs/dbraw/zinc/37/03/98/945370398.db2.gz AVNVVOKIXZIRSI-YPMHNXCESA-N -1 1 385.432 -0.072 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)[C@@]3(C)CCNC(=O)C3)C2)n1 ZINC001571258941 945368686 /nfs/dbraw/zinc/36/86/86/945368686.db2.gz BAOUYKSXWSPUBN-RVPKQNPDSA-N -1 1 385.432 -0.059 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)[C@@]3(C)CCNC(=O)C3)C2)n1 ZINC001571258941 945368677 /nfs/dbraw/zinc/36/86/77/945368677.db2.gz BAOUYKSXWSPUBN-RVPKQNPDSA-N -1 1 385.432 -0.059 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)[C@]3(C)CCNC(=O)C3)C2)n1 ZINC001571258942 945369796 /nfs/dbraw/zinc/36/97/96/945369796.db2.gz BAOUYKSXWSPUBN-VGTOOOLASA-N -1 1 385.432 -0.059 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)[C@]3(C)CCNC(=O)C3)C2)n1 ZINC001571258942 945369781 /nfs/dbraw/zinc/36/97/81/945369781.db2.gz BAOUYKSXWSPUBN-VGTOOOLASA-N -1 1 385.432 -0.059 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C[C@@H]3CCN(C)C3=O)C2)n1 ZINC001571258945 945369984 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C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001571259311 945383207 /nfs/dbraw/zinc/38/32/07/945383207.db2.gz FQTKOXLFDCJUSX-CZIZLABSSA-N -1 1 385.432 -0.486 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001571259311 945383199 /nfs/dbraw/zinc/38/31/99/945383199.db2.gz FQTKOXLFDCJUSX-CZIZLABSSA-N -1 1 385.432 -0.486 20 0 GBADMM CN1C[C@@H](C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001571259312 945383881 /nfs/dbraw/zinc/38/38/81/945383881.db2.gz FQURYZZLSAXMIG-NWDGAFQWSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1C[C@@H](C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001571259312 945383874 /nfs/dbraw/zinc/38/38/74/945383874.db2.gz FQURYZZLSAXMIG-NWDGAFQWSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1C[C@H](C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001571259313 945382295 /nfs/dbraw/zinc/38/22/95/945382295.db2.gz FQURYZZLSAXMIG-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1C[C@H](C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001571259313 945382284 /nfs/dbraw/zinc/38/22/84/945382284.db2.gz FQURYZZLSAXMIG-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571259314 945383048 /nfs/dbraw/zinc/38/30/48/945383048.db2.gz KMAIQQMFQVBMJH-QGZVFWFLSA-N -1 1 385.432 -0.436 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571259314 945383036 /nfs/dbraw/zinc/38/30/36/945383036.db2.gz KMAIQQMFQVBMJH-QGZVFWFLSA-N -1 1 385.432 -0.436 20 0 GBADMM CCN1C[C@H](C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001571259319 945383488 /nfs/dbraw/zinc/38/34/88/945383488.db2.gz KVEJAGDBDIVPKL-NEPJUHHUSA-N -1 1 385.432 -0.650 20 0 GBADMM CCN1C[C@@H](C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001571259320 945383230 /nfs/dbraw/zinc/38/32/30/945383230.db2.gz KVEJAGDBDIVPKL-NWDGAFQWSA-N -1 1 385.432 -0.650 20 0 GBADMM CCN1C[C@@H](C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001571259321 945382980 /nfs/dbraw/zinc/38/29/80/945382980.db2.gz KVEJAGDBDIVPKL-RYUDHWBXSA-N -1 1 385.432 -0.650 20 0 GBADMM CCN1C[C@H](C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001571259322 945383565 /nfs/dbraw/zinc/38/35/65/945383565.db2.gz KVEJAGDBDIVPKL-VXGBXAGGSA-N -1 1 385.432 -0.650 20 0 GBADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571259323 945384276 /nfs/dbraw/zinc/38/42/76/945384276.db2.gz KXEFQEFWMWAYPI-GHMZBOCLSA-N -1 1 385.432 -0.242 20 0 GBADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571259323 945384265 /nfs/dbraw/zinc/38/42/65/945384265.db2.gz KXEFQEFWMWAYPI-GHMZBOCLSA-N -1 1 385.432 -0.242 20 0 GBADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571259324 945384442 /nfs/dbraw/zinc/38/44/42/945384442.db2.gz KXEFQEFWMWAYPI-WDEREUQCSA-N -1 1 385.432 -0.242 20 0 GBADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571259324 945384431 /nfs/dbraw/zinc/38/44/31/945384431.db2.gz KXEFQEFWMWAYPI-WDEREUQCSA-N -1 1 385.432 -0.242 20 0 GBADMM CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571259344 945383083 /nfs/dbraw/zinc/38/30/83/945383083.db2.gz LNUILQDURWAJKO-LOWVWBTDSA-N -1 1 385.432 -0.026 20 0 GBADMM CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571259344 945383071 /nfs/dbraw/zinc/38/30/71/945383071.db2.gz LNUILQDURWAJKO-LOWVWBTDSA-N -1 1 385.432 -0.026 20 0 GBADMM CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571259345 945383903 /nfs/dbraw/zinc/38/39/03/945383903.db2.gz LNUILQDURWAJKO-NTZNESFSSA-N -1 1 385.432 -0.026 20 0 GBADMM CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571259345 945383898 /nfs/dbraw/zinc/38/38/98/945383898.db2.gz LNUILQDURWAJKO-NTZNESFSSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001571259346 945383863 /nfs/dbraw/zinc/38/38/63/945383863.db2.gz LOHDKFINYDXUOC-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001571259346 945383857 /nfs/dbraw/zinc/38/38/57/945383857.db2.gz LOHDKFINYDXUOC-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCNC(=O)C1 ZINC001571259352 945384376 /nfs/dbraw/zinc/38/43/76/945384376.db2.gz FSMARHQWTRFWSW-NEPJUHHUSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCNC(=O)C1 ZINC001571259352 945384365 /nfs/dbraw/zinc/38/43/65/945384365.db2.gz FSMARHQWTRFWSW-NEPJUHHUSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCNC(=O)C1 ZINC001571259354 945387346 /nfs/dbraw/zinc/38/73/46/945387346.db2.gz FSMARHQWTRFWSW-NWDGAFQWSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCNC(=O)C1 ZINC001571259354 945387330 /nfs/dbraw/zinc/38/73/30/945387330.db2.gz FSMARHQWTRFWSW-NWDGAFQWSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCNC(=O)C1 ZINC001571259356 945386567 /nfs/dbraw/zinc/38/65/67/945386567.db2.gz FSMARHQWTRFWSW-RYUDHWBXSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCNC(=O)C1 ZINC001571259356 945386557 /nfs/dbraw/zinc/38/65/57/945386557.db2.gz FSMARHQWTRFWSW-RYUDHWBXSA-N -1 1 385.432 -0.342 20 0 GBADMM CCN1C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259357 945387164 /nfs/dbraw/zinc/38/71/64/945387164.db2.gz LWUITLBTOZPTEB-IJLUTSLNSA-N -1 1 385.432 -0.746 20 0 GBADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCNC(=O)C1 ZINC001571259358 945387145 /nfs/dbraw/zinc/38/71/45/945387145.db2.gz FSMARHQWTRFWSW-VXGBXAGGSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCNC(=O)C1 ZINC001571259358 945387138 /nfs/dbraw/zinc/38/71/38/945387138.db2.gz FSMARHQWTRFWSW-VXGBXAGGSA-N -1 1 385.432 -0.342 20 0 GBADMM CCN1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259359 945387299 /nfs/dbraw/zinc/38/72/99/945387299.db2.gz LWUITLBTOZPTEB-SRVKXCTJSA-N -1 1 385.432 -0.746 20 0 GBADMM CN1C[C@@H](C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259379 945386099 /nfs/dbraw/zinc/38/60/99/945386099.db2.gz GDAKHQGGTUMKDV-APPDUMDISA-N -1 1 385.432 -0.793 20 0 GBADMM CN1C[C@H](C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259380 945385105 /nfs/dbraw/zinc/38/51/05/945385105.db2.gz GDAKHQGGTUMKDV-DIFFPNOSSA-N -1 1 385.432 -0.793 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259381 945385165 /nfs/dbraw/zinc/38/51/65/945385165.db2.gz MHBYTHLVSJKPEB-GXTWGEPZSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259381 945385156 /nfs/dbraw/zinc/38/51/56/945385156.db2.gz MHBYTHLVSJKPEB-GXTWGEPZSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@@H](C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259382 945385322 /nfs/dbraw/zinc/38/53/22/945385322.db2.gz GDAKHQGGTUMKDV-GTNSWQLSSA-N -1 1 385.432 -0.793 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259383 945385643 /nfs/dbraw/zinc/38/56/43/945385643.db2.gz MHBYTHLVSJKPEB-TZMCWYRMSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259383 945385634 /nfs/dbraw/zinc/38/56/34/945385634.db2.gz MHBYTHLVSJKPEB-TZMCWYRMSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@H](C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259384 945385430 /nfs/dbraw/zinc/38/54/30/945385430.db2.gz GDAKHQGGTUMKDV-PIGZYNQJSA-N -1 1 385.432 -0.793 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571259385 945386221 /nfs/dbraw/zinc/38/62/21/945386221.db2.gz MHMDQZMWVWJVBT-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCNC(=O)C1 ZINC001571259394 945387112 /nfs/dbraw/zinc/38/71/12/945387112.db2.gz GDTFDQSPANLWAB-QJPTWQEYSA-N -1 1 385.432 -0.698 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCNC(=O)C1 ZINC001571259399 945386299 /nfs/dbraw/zinc/38/62/99/945386299.db2.gz GDTFDQSPANLWAB-SDDRHHMPSA-N -1 1 385.432 -0.698 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)n1 ZINC001571259401 945387216 /nfs/dbraw/zinc/38/72/16/945387216.db2.gz GFPVLYUILCUFSL-GFCCVEGCSA-N -1 1 385.432 -0.010 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)n1 ZINC001571259401 945387207 /nfs/dbraw/zinc/38/72/07/945387207.db2.gz GFPVLYUILCUFSL-GFCCVEGCSA-N -1 1 385.432 -0.010 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571259402 945385082 /nfs/dbraw/zinc/38/50/82/945385082.db2.gz GGAROYUBNBBDFW-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571259402 945385077 /nfs/dbraw/zinc/38/50/77/945385077.db2.gz GGAROYUBNBBDFW-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571259403 945384998 /nfs/dbraw/zinc/38/49/98/945384998.db2.gz GGAROYUBNBBDFW-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571259403 945384991 /nfs/dbraw/zinc/38/49/91/945384991.db2.gz GGAROYUBNBBDFW-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)c1nccnc1-c1nn[n-]n1 ZINC001571259407 945385761 /nfs/dbraw/zinc/38/57/61/945385761.db2.gz MNECNBGZTZTLJL-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)c1nccnc1-c1nnn[n-]1 ZINC001571259407 945385749 /nfs/dbraw/zinc/38/57/49/945385749.db2.gz MNECNBGZTZTLJL-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)c1nccnc1-c1nn[n-]n1 ZINC001571259408 945385198 /nfs/dbraw/zinc/38/51/98/945385198.db2.gz MNECNBGZTZTLJL-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)c1nccnc1-c1nnn[n-]1 ZINC001571259408 945385191 /nfs/dbraw/zinc/38/51/91/945385191.db2.gz MNECNBGZTZTLJL-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571259418 945386033 /nfs/dbraw/zinc/38/60/33/945386033.db2.gz GJEUCSORGYOPPN-DGCLKSJQSA-N -1 1 385.432 -0.247 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571259418 945386027 /nfs/dbraw/zinc/38/60/27/945386027.db2.gz GJEUCSORGYOPPN-DGCLKSJQSA-N -1 1 385.432 -0.247 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571259419 945386881 /nfs/dbraw/zinc/38/68/81/945386881.db2.gz GJEUCSORGYOPPN-WCQYABFASA-N -1 1 385.432 -0.247 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571259419 945386867 /nfs/dbraw/zinc/38/68/67/945386867.db2.gz GJEUCSORGYOPPN-WCQYABFASA-N -1 1 385.432 -0.247 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001571259420 945385250 /nfs/dbraw/zinc/38/52/50/945385250.db2.gz NBZXVCWMKFLXFU-LLVKDONJSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001571259420 945385240 /nfs/dbraw/zinc/38/52/40/945385240.db2.gz NBZXVCWMKFLXFU-LLVKDONJSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001571259422 945386642 /nfs/dbraw/zinc/38/66/42/945386642.db2.gz NBZXVCWMKFLXFU-NSHDSACASA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001571259422 945386619 /nfs/dbraw/zinc/38/66/19/945386619.db2.gz NBZXVCWMKFLXFU-NSHDSACASA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001571259436 945389640 /nfs/dbraw/zinc/38/96/40/945389640.db2.gz NFIXBIBFWJOZCF-APPDUMDISA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001571259436 945389630 /nfs/dbraw/zinc/38/96/30/945389630.db2.gz NFIXBIBFWJOZCF-APPDUMDISA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001571259438 945388914 /nfs/dbraw/zinc/38/89/14/945388914.db2.gz NFIXBIBFWJOZCF-DIFFPNOSSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001571259438 945388903 /nfs/dbraw/zinc/38/89/03/945388903.db2.gz NFIXBIBFWJOZCF-DIFFPNOSSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001571259439 945389737 /nfs/dbraw/zinc/38/97/37/945389737.db2.gz NFIXBIBFWJOZCF-GTNSWQLSSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001571259439 945389727 /nfs/dbraw/zinc/38/97/27/945389727.db2.gz NFIXBIBFWJOZCF-GTNSWQLSSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001571259440 945388343 /nfs/dbraw/zinc/38/83/43/945388343.db2.gz NFIXBIBFWJOZCF-PIGZYNQJSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001571259440 945388334 /nfs/dbraw/zinc/38/83/34/945388334.db2.gz NFIXBIBFWJOZCF-PIGZYNQJSA-N -1 1 385.432 -0.390 20 0 GBADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCC(=O)NC1 ZINC001571259442 945388721 /nfs/dbraw/zinc/38/87/21/945388721.db2.gz GLZCNTHCAKOJPA-IJLUTSLNSA-N -1 1 385.432 -0.556 20 0 GBADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCC(=O)NC1 ZINC001571259444 945388633 /nfs/dbraw/zinc/38/86/33/945388633.db2.gz GLZCNTHCAKOJPA-QJPTWQEYSA-N -1 1 385.432 -0.556 20 0 GBADMM CN1C[C@H](C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)CC1=O ZINC001571259446 945388801 /nfs/dbraw/zinc/38/88/01/945388801.db2.gz GMQGKEMDVYPTTG-GHMZBOCLSA-N -1 1 385.432 -0.794 20 0 GBADMM CCN1C[C@H](C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CC1=O ZINC001571259447 945389043 /nfs/dbraw/zinc/38/90/43/945389043.db2.gz NKHNXXREHTYBCH-LLVKDONJSA-N -1 1 385.432 -0.072 20 0 GBADMM CCN1C[C@H](C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CC1=O ZINC001571259447 945389036 /nfs/dbraw/zinc/38/90/36/945389036.db2.gz NKHNXXREHTYBCH-LLVKDONJSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1C[C@H](C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)CC1=O ZINC001571259448 945389143 /nfs/dbraw/zinc/38/91/43/945389143.db2.gz GMQGKEMDVYPTTG-MNOVXSKESA-N -1 1 385.432 -0.794 20 0 GBADMM CCN1C[C@@H](C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CC1=O ZINC001571259449 945388213 /nfs/dbraw/zinc/38/82/13/945388213.db2.gz NKHNXXREHTYBCH-NSHDSACASA-N -1 1 385.432 -0.072 20 0 GBADMM CCN1C[C@@H](C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CC1=O ZINC001571259449 945388207 /nfs/dbraw/zinc/38/82/07/945388207.db2.gz NKHNXXREHTYBCH-NSHDSACASA-N -1 1 385.432 -0.072 20 0 GBADMM CN1C[C@@H](C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)CC1=O 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GPWMZAKEUWOLLF-NEPJUHHUSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1=O ZINC001571259472 945388222 /nfs/dbraw/zinc/38/82/22/945388222.db2.gz GPWMZAKEUWOLLF-NEPJUHHUSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1C[C@H](C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC1=O ZINC001571259473 945387892 /nfs/dbraw/zinc/38/78/92/945387892.db2.gz GPWMZAKEUWOLLF-NWDGAFQWSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1C[C@H](C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1=O ZINC001571259473 945387883 /nfs/dbraw/zinc/38/78/83/945387883.db2.gz GPWMZAKEUWOLLF-NWDGAFQWSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC1=O ZINC001571259474 945388444 /nfs/dbraw/zinc/38/84/44/945388444.db2.gz GPWMZAKEUWOLLF-RYUDHWBXSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1=O ZINC001571259474 945388433 /nfs/dbraw/zinc/38/84/33/945388433.db2.gz GPWMZAKEUWOLLF-RYUDHWBXSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1C[C@H](C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC1=O ZINC001571259475 945389195 /nfs/dbraw/zinc/38/91/95/945389195.db2.gz GPWMZAKEUWOLLF-VXGBXAGGSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1C[C@H](C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1=O ZINC001571259475 945389187 /nfs/dbraw/zinc/38/91/87/945389187.db2.gz GPWMZAKEUWOLLF-VXGBXAGGSA-N -1 1 385.432 -0.532 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571259488 945389229 /nfs/dbraw/zinc/38/92/29/945389229.db2.gz GWRDSJTYANIZEO-WISYIIOYSA-N -1 1 385.432 -0.761 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)CN3CCCCC3=O)C2)n1 ZINC001571259489 945388181 /nfs/dbraw/zinc/38/81/81/945388181.db2.gz GWUQBJARJGAEBT-LBPRGKRZSA-N -1 1 385.432 -0.327 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)CN3CCCCC3=O)C2)n1 ZINC001571259489 945388176 /nfs/dbraw/zinc/38/81/76/945388176.db2.gz GWUQBJARJGAEBT-LBPRGKRZSA-N -1 1 385.432 -0.327 20 0 GBADMM CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001571259490 945387764 /nfs/dbraw/zinc/38/77/64/945387764.db2.gz GXLLYZIBGFWASX-FRRDWIJNSA-N -1 1 385.432 -0.833 20 0 GBADMM CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001571259491 945388665 /nfs/dbraw/zinc/38/86/65/945388665.db2.gz GXLLYZIBGFWASX-XQQFMLRXSA-N -1 1 385.432 -0.833 20 0 GBADMM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259502 945388150 /nfs/dbraw/zinc/38/81/50/945388150.db2.gz HKVDGTUYCQUARI-NEPJUHHUSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259502 945388144 /nfs/dbraw/zinc/38/81/44/945388144.db2.gz HKVDGTUYCQUARI-NEPJUHHUSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259503 945388315 /nfs/dbraw/zinc/38/83/15/945388315.db2.gz HKVDGTUYCQUARI-NWDGAFQWSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259503 945388307 /nfs/dbraw/zinc/38/83/07/945388307.db2.gz HKVDGTUYCQUARI-NWDGAFQWSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259504 945389768 /nfs/dbraw/zinc/38/97/68/945389768.db2.gz HKVDGTUYCQUARI-RYUDHWBXSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259504 945389757 /nfs/dbraw/zinc/38/97/57/945389757.db2.gz HKVDGTUYCQUARI-RYUDHWBXSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259505 945388882 /nfs/dbraw/zinc/38/88/82/945388882.db2.gz HKVDGTUYCQUARI-VXGBXAGGSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259505 945388873 /nfs/dbraw/zinc/38/88/73/945388873.db2.gz HKVDGTUYCQUARI-VXGBXAGGSA-N -1 1 385.432 -0.342 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)n1 ZINC001571259510 945388956 /nfs/dbraw/zinc/38/89/56/945388956.db2.gz HOAHNDANTZMGDD-NEPJUHHUSA-N -1 1 385.432 -0.106 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)n1 ZINC001571259510 945388944 /nfs/dbraw/zinc/38/89/44/945388944.db2.gz HOAHNDANTZMGDD-NEPJUHHUSA-N -1 1 385.432 -0.106 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)n1 ZINC001571259511 945389337 /nfs/dbraw/zinc/38/93/37/945389337.db2.gz HOAHNDANTZMGDD-NWDGAFQWSA-N -1 1 385.432 -0.106 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)n1 ZINC001571259511 945389325 /nfs/dbraw/zinc/38/93/25/945389325.db2.gz HOAHNDANTZMGDD-NWDGAFQWSA-N -1 1 385.432 -0.106 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)n1 ZINC001571259512 945389536 /nfs/dbraw/zinc/38/95/36/945389536.db2.gz HOAHNDANTZMGDD-RYUDHWBXSA-N -1 1 385.432 -0.106 20 0 GBADMM 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CC(=O)N1CC(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571259516 945391317 /nfs/dbraw/zinc/39/13/17/945391317.db2.gz NQXYARSAFAAVGE-ZDUSSCGKSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571259516 945391309 /nfs/dbraw/zinc/39/13/09/945391309.db2.gz NQXYARSAFAAVGE-ZDUSSCGKSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571259522 945391464 /nfs/dbraw/zinc/39/14/64/945391464.db2.gz NUUUHIKMPNQBDE-GFCCVEGCSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571259522 945391456 /nfs/dbraw/zinc/39/14/56/945391456.db2.gz NUUUHIKMPNQBDE-GFCCVEGCSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571259523 945390336 /nfs/dbraw/zinc/39/03/36/945390336.db2.gz NUUUHIKMPNQBDE-LBPRGKRZSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 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-1 1 385.432 -0.294 20 0 GBADMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CN2CCCC2=O)C1 ZINC001571259553 945391039 /nfs/dbraw/zinc/39/10/39/945391039.db2.gz OLXRNBXSTGGKBN-KRWDZBQOSA-N -1 1 385.432 -0.070 20 0 GBADMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CN2CCCC2=O)C1 ZINC001571259553 945391023 /nfs/dbraw/zinc/39/10/23/945391023.db2.gz OLXRNBXSTGGKBN-KRWDZBQOSA-N -1 1 385.432 -0.070 20 0 GBADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CN2CCCC2=O)C1 ZINC001571259554 945392057 /nfs/dbraw/zinc/39/20/57/945392057.db2.gz OLXRNBXSTGGKBN-QGZVFWFLSA-N -1 1 385.432 -0.070 20 0 GBADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CN2CCCC2=O)C1 ZINC001571259554 945392046 /nfs/dbraw/zinc/39/20/46/945392046.db2.gz OLXRNBXSTGGKBN-QGZVFWFLSA-N -1 1 385.432 -0.070 20 0 GBADMM CCN1C[C@@H](C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CC1=O ZINC001571259562 945390454 /nfs/dbraw/zinc/39/04/54/945390454.db2.gz OTFQIPDLYVBEKM-NWDGAFQWSA-N -1 1 385.432 -0.072 20 0 GBADMM CCN1C[C@@H](C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CC1=O ZINC001571259562 945390448 /nfs/dbraw/zinc/39/04/48/945390448.db2.gz OTFQIPDLYVBEKM-NWDGAFQWSA-N -1 1 385.432 -0.072 20 0 GBADMM CCN1C[C@H](C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CC1=O ZINC001571259564 945392308 /nfs/dbraw/zinc/39/23/08/945392308.db2.gz OTFQIPDLYVBEKM-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM CCN1C[C@H](C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CC1=O ZINC001571259564 945392297 /nfs/dbraw/zinc/39/22/97/945392297.db2.gz OTFQIPDLYVBEKM-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571259565 945391148 /nfs/dbraw/zinc/39/11/48/945391148.db2.gz HQVYLQFIFANZJO-WOPDTQHZSA-N -1 1 385.432 -0.357 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571259565 945391146 /nfs/dbraw/zinc/39/11/46/945391146.db2.gz HQVYLQFIFANZJO-WOPDTQHZSA-N -1 1 385.432 -0.357 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001571259574 945390777 /nfs/dbraw/zinc/39/07/77/945390777.db2.gz OVUWLNYZSACOHL-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001571259574 945390766 /nfs/dbraw/zinc/39/07/66/945390766.db2.gz OVUWLNYZSACOHL-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001571259576 945391141 /nfs/dbraw/zinc/39/11/41/945391141.db2.gz OVUWLNYZSACOHL-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001571259576 945391135 /nfs/dbraw/zinc/39/11/35/945391135.db2.gz OVUWLNYZSACOHL-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM O=C([C@@H]1CCC(=O)NC1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571259580 945391773 /nfs/dbraw/zinc/39/17/73/945391773.db2.gz IDEAJQTVFUCIDZ-NEPJUHHUSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCC(=O)NC1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571259580 945391762 /nfs/dbraw/zinc/39/17/62/945391762.db2.gz IDEAJQTVFUCIDZ-NEPJUHHUSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571259582 945390268 /nfs/dbraw/zinc/39/02/68/945390268.db2.gz IDEAJQTVFUCIDZ-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571259582 945390264 /nfs/dbraw/zinc/39/02/64/945390264.db2.gz IDEAJQTVFUCIDZ-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571259584 945391528 /nfs/dbraw/zinc/39/15/28/945391528.db2.gz IDEAJQTVFUCIDZ-RYUDHWBXSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571259584 945391518 /nfs/dbraw/zinc/39/15/18/945391518.db2.gz IDEAJQTVFUCIDZ-RYUDHWBXSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCC(=O)NC1)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571259586 945390529 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OZIQHINRIHCFBS-CYBMUJFWSA-N -1 1 385.432 -0.390 20 0 GBADMM O=C(CN1CCCCC1=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571259595 945393477 /nfs/dbraw/zinc/39/34/77/945393477.db2.gz IDVYRCIQBRQIAW-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM O=C(CN1CCCCC1=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571259595 945393467 /nfs/dbraw/zinc/39/34/67/945393467.db2.gz IDVYRCIQBRQIAW-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571259603 945394018 /nfs/dbraw/zinc/39/40/18/945394018.db2.gz PCMHRWWVSJTKGA-GRYCIOLGSA-N -1 1 385.432 -0.405 20 0 GBADMM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571259603 945394007 /nfs/dbraw/zinc/39/40/07/945394007.db2.gz PCMHRWWVSJTKGA-GRYCIOLGSA-N -1 1 385.432 -0.405 20 0 GBADMM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571259604 945393918 /nfs/dbraw/zinc/39/39/18/945393918.db2.gz PCMHRWWVSJTKGA-WOPDTQHZSA-N -1 1 385.432 -0.405 20 0 GBADMM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571259604 945393906 /nfs/dbraw/zinc/39/39/06/945393906.db2.gz PCMHRWWVSJTKGA-WOPDTQHZSA-N -1 1 385.432 -0.405 20 0 GBADMM O=C(CN1CCCCCC1=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259610 945393212 /nfs/dbraw/zinc/39/32/12/945393212.db2.gz IHFLLTVCNHSZFM-UHFFFAOYSA-N -1 1 385.432 -0.292 20 0 GBADMM O=C(CN1CCCCCC1=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259610 945393201 /nfs/dbraw/zinc/39/32/01/945393201.db2.gz IHFLLTVCNHSZFM-UHFFFAOYSA-N -1 1 385.432 -0.292 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571259620 945393504 /nfs/dbraw/zinc/39/35/04/945393504.db2.gz IIJHELYVXALXTB-KKOKHZNYSA-N -1 1 385.432 -0.325 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571259620 945393498 /nfs/dbraw/zinc/39/34/98/945393498.db2.gz IIJHELYVXALXTB-KKOKHZNYSA-N -1 1 385.432 -0.325 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)n1 ZINC001571259649 945393819 /nfs/dbraw/zinc/39/38/19/945393819.db2.gz IRIWTUOAFXZBMF-GFCCVEGCSA-N -1 1 385.432 -0.010 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)n1 ZINC001571259649 945393807 /nfs/dbraw/zinc/39/38/07/945393807.db2.gz IRIWTUOAFXZBMF-GFCCVEGCSA-N -1 1 385.432 -0.010 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)CN3CCCCC3=O)C2)n1 ZINC001571259651 945393445 /nfs/dbraw/zinc/39/34/45/945393445.db2.gz IRIWTUOAFXZBMF-LBPRGKRZSA-N -1 1 385.432 -0.010 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)CN3CCCCC3=O)C2)n1 ZINC001571259651 945393435 /nfs/dbraw/zinc/39/34/35/945393435.db2.gz IRIWTUOAFXZBMF-LBPRGKRZSA-N -1 1 385.432 -0.010 20 0 GBADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001571259652 945394038 /nfs/dbraw/zinc/39/40/38/945394038.db2.gz PMFJFWNJNJLSNJ-APPDUMDISA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001571259654 945394968 /nfs/dbraw/zinc/39/49/68/945394968.db2.gz PMFJFWNJNJLSNJ-DIFFPNOSSA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001571259656 945393365 /nfs/dbraw/zinc/39/33/65/945393365.db2.gz PMFJFWNJNJLSNJ-GTNSWQLSSA-N -1 1 385.432 -0.745 20 0 GBADMM CN1C[C@@H](C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259657 945394251 /nfs/dbraw/zinc/39/42/51/945394251.db2.gz IVRNOSSCKWPRTH-NEPJUHHUSA-N -1 1 385.432 -0.793 20 0 GBADMM CN1C[C@H](C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259658 945394816 /nfs/dbraw/zinc/39/48/16/945394816.db2.gz IVRNOSSCKWPRTH-NWDGAFQWSA-N -1 1 385.432 -0.793 20 0 GBADMM CN1C[C@@H](C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259659 945394669 /nfs/dbraw/zinc/39/46/69/945394669.db2.gz IVRNOSSCKWPRTH-RYUDHWBXSA-N -1 1 385.432 -0.793 20 0 GBADMM CN1C[C@H](C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259660 945395023 /nfs/dbraw/zinc/39/50/23/945395023.db2.gz IVRNOSSCKWPRTH-VXGBXAGGSA-N -1 1 385.432 -0.793 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001571259662 945394213 /nfs/dbraw/zinc/39/42/13/945394213.db2.gz IXZPXALNMVFVFF-NEPJUHHUSA-N -1 1 385.432 -0.581 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001571259662 945394202 /nfs/dbraw/zinc/39/42/02/945394202.db2.gz IXZPXALNMVFVFF-NEPJUHHUSA-N -1 1 385.432 -0.581 20 0 GBADMM O=C(NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCC(=O)N1 ZINC001571259680 945396169 /nfs/dbraw/zinc/39/61/69/945396169.db2.gz JHPUSKQMIHMFNI-HTAVTVPLSA-N -1 1 385.432 -0.413 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 ZINC001571259687 945395638 /nfs/dbraw/zinc/39/56/38/945395638.db2.gz JOCFEWKYRHIPCM-GRYCIOLGSA-N -1 1 385.432 -0.438 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 ZINC001571259687 945395628 /nfs/dbraw/zinc/39/56/28/945395628.db2.gz JOCFEWKYRHIPCM-GRYCIOLGSA-N -1 1 385.432 -0.438 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 ZINC001571259688 945395695 /nfs/dbraw/zinc/39/56/95/945395695.db2.gz JOCFEWKYRHIPCM-WOPDTQHZSA-N -1 1 385.432 -0.438 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 ZINC001571259688 945395685 /nfs/dbraw/zinc/39/56/85/945395685.db2.gz JOCFEWKYRHIPCM-WOPDTQHZSA-N -1 1 385.432 -0.438 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259689 945397559 /nfs/dbraw/zinc/39/75/59/945397559.db2.gz JQYYVZABFBXTJO-NEPJUHHUSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259689 945397549 /nfs/dbraw/zinc/39/75/49/945397549.db2.gz JQYYVZABFBXTJO-NEPJUHHUSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@H](C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259690 945397317 /nfs/dbraw/zinc/39/73/17/945397317.db2.gz JQYYVZABFBXTJO-NWDGAFQWSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@H](C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259690 945397300 /nfs/dbraw/zinc/39/73/00/945397300.db2.gz JQYYVZABFBXTJO-NWDGAFQWSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259691 945396843 /nfs/dbraw/zinc/39/68/43/945396843.db2.gz JQYYVZABFBXTJO-RYUDHWBXSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259691 945396835 /nfs/dbraw/zinc/39/68/35/945396835.db2.gz JQYYVZABFBXTJO-RYUDHWBXSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@H](C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259692 945396932 /nfs/dbraw/zinc/39/69/32/945396932.db2.gz JQYYVZABFBXTJO-VXGBXAGGSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@H](C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259692 945396921 /nfs/dbraw/zinc/39/69/21/945396921.db2.gz JQYYVZABFBXTJO-VXGBXAGGSA-N -1 1 385.432 -0.215 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)C2)n1 ZINC001571259701 945397779 /nfs/dbraw/zinc/39/77/79/945397779.db2.gz KEMFXYMUCWSNEI-IJLUTSLNSA-N -1 1 385.432 -0.202 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)C2)n1 ZINC001571259701 945397774 /nfs/dbraw/zinc/39/77/74/945397774.db2.gz KEMFXYMUCWSNEI-IJLUTSLNSA-N -1 1 385.432 -0.202 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)n1 ZINC001571259702 945396968 /nfs/dbraw/zinc/39/69/68/945396968.db2.gz KEMFXYMUCWSNEI-SRVKXCTJSA-N -1 1 385.432 -0.202 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)n1 ZINC001571259702 945396957 /nfs/dbraw/zinc/39/69/57/945396957.db2.gz KEMFXYMUCWSNEI-SRVKXCTJSA-N -1 1 385.432 -0.202 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001571259705 945397717 /nfs/dbraw/zinc/39/77/17/945397717.db2.gz KGTDYWNRLSTLTA-TUAOUCFPSA-N -1 1 385.432 -0.486 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001571259705 945397711 /nfs/dbraw/zinc/39/77/11/945397711.db2.gz KGTDYWNRLSTLTA-TUAOUCFPSA-N -1 1 385.432 -0.486 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001571259706 945396589 /nfs/dbraw/zinc/39/65/89/945396589.db2.gz KGTDYWNRLSTLTA-UTUOFQBUSA-N -1 1 385.432 -0.486 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001571259706 945396579 /nfs/dbraw/zinc/39/65/79/945396579.db2.gz KGTDYWNRLSTLTA-UTUOFQBUSA-N -1 1 385.432 -0.486 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001571259708 945396141 /nfs/dbraw/zinc/39/61/41/945396141.db2.gz KKTUDBKEYFIQLQ-HSOHIQCKSA-N -1 1 385.432 -0.486 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001571259708 945396131 /nfs/dbraw/zinc/39/61/31/945396131.db2.gz KKTUDBKEYFIQLQ-HSOHIQCKSA-N -1 1 385.432 -0.486 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001571259709 945397478 /nfs/dbraw/zinc/39/74/78/945397478.db2.gz KKTUDBKEYFIQLQ-ILMHXZGMSA-N -1 1 385.432 -0.486 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001571259709 945397468 /nfs/dbraw/zinc/39/74/68/945397468.db2.gz KKTUDBKEYFIQLQ-ILMHXZGMSA-N -1 1 385.432 -0.486 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571259710 945395925 /nfs/dbraw/zinc/39/59/25/945395925.db2.gz KKYQYPOECZSNES-RLFDGXBXSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571259711 945397260 /nfs/dbraw/zinc/39/72/60/945397260.db2.gz KKYQYPOECZSNES-VGTOOOLASA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001571259714 945397657 /nfs/dbraw/zinc/39/76/57/945397657.db2.gz PMFJFWNJNJLSNJ-PIGZYNQJSA-N -1 1 385.432 -0.745 20 0 GBADMM CCC(=O)N1CCC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2=O)C1 ZINC001571259722 945397449 /nfs/dbraw/zinc/39/74/49/945397449.db2.gz PRRHPSDAZGWPHC-GFCCVEGCSA-N -1 1 385.432 -0.294 20 0 GBADMM CCC(=O)N1CCC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2=O)C1 ZINC001571259722 945397440 /nfs/dbraw/zinc/39/74/40/945397440.db2.gz PRRHPSDAZGWPHC-GFCCVEGCSA-N -1 1 385.432 -0.294 20 0 GBADMM CCC(=O)N1CCC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2=O)C1 ZINC001571259723 945397533 /nfs/dbraw/zinc/39/75/33/945397533.db2.gz PRRHPSDAZGWPHC-LBPRGKRZSA-N -1 1 385.432 -0.294 20 0 GBADMM CCC(=O)N1CCC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2=O)C1 ZINC001571259723 945397523 /nfs/dbraw/zinc/39/75/23/945397523.db2.gz PRRHPSDAZGWPHC-LBPRGKRZSA-N -1 1 385.432 -0.294 20 0 GBADMM CCCN1C[C@H](C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259724 945397868 /nfs/dbraw/zinc/39/78/68/945397868.db2.gz PTGVQYZHEGTTLN-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CCCN1C[C@H](C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1=O ZINC001571259724 945397862 /nfs/dbraw/zinc/39/78/62/945397862.db2.gz PTGVQYZHEGTTLN-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CCCN1C[C@@H](C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571259725 945397746 /nfs/dbraw/zinc/39/77/46/945397746.db2.gz PTGVQYZHEGTTLN-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CCCN1C[C@@H](C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1=O ZINC001571259725 945397742 /nfs/dbraw/zinc/39/77/42/945397742.db2.gz PTGVQYZHEGTTLN-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CCC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001571259728 945396483 /nfs/dbraw/zinc/39/64/83/945396483.db2.gz PXJDIZQEZJMUOW-MNOVXSKESA-N -1 1 385.432 -0.039 20 0 GBADMM CCC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001571259728 945396471 /nfs/dbraw/zinc/39/64/71/945396471.db2.gz PXJDIZQEZJMUOW-MNOVXSKESA-N -1 1 385.432 -0.039 20 0 GBADMM CN(C[C@H]1CCN(C(=O)CN2CCCC2=O)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571259729 945397697 /nfs/dbraw/zinc/39/76/97/945397697.db2.gz PYBJIMSOZAHPFC-GFCCVEGCSA-N -1 1 385.432 -0.436 20 0 GBADMM CN(C[C@H]1CCN(C(=O)CN2CCCC2=O)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571259729 945397691 /nfs/dbraw/zinc/39/76/91/945397691.db2.gz PYBJIMSOZAHPFC-GFCCVEGCSA-N -1 1 385.432 -0.436 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)CN2CCCC2=O)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571259730 945396010 /nfs/dbraw/zinc/39/60/10/945396010.db2.gz PYBJIMSOZAHPFC-LBPRGKRZSA-N -1 1 385.432 -0.436 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)CN2CCCC2=O)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571259730 945396003 /nfs/dbraw/zinc/39/60/03/945396003.db2.gz PYBJIMSOZAHPFC-LBPRGKRZSA-N -1 1 385.432 -0.436 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571259742 945397814 /nfs/dbraw/zinc/39/78/14/945397814.db2.gz QIEKUKBAKGVHQH-GFCCVEGCSA-N -1 1 385.432 -0.793 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571259743 945396277 /nfs/dbraw/zinc/39/62/77/945396277.db2.gz QIEKUKBAKGVHQH-LBPRGKRZSA-N -1 1 385.432 -0.793 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571259750 945396210 /nfs/dbraw/zinc/39/62/10/945396210.db2.gz QMUMILGEPCAEDJ-NWDGAFQWSA-N -1 1 385.432 -0.508 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571259751 945396358 /nfs/dbraw/zinc/39/63/58/945396358.db2.gz QMUMILGEPCAEDJ-VXGBXAGGSA-N -1 1 385.432 -0.508 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571259755 945398350 /nfs/dbraw/zinc/39/83/50/945398350.db2.gz QOVGGQQHIBEPPN-NEPJUHHUSA-N -1 1 385.432 -0.074 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001571259755 945398337 /nfs/dbraw/zinc/39/83/37/945398337.db2.gz QOVGGQQHIBEPPN-NEPJUHHUSA-N -1 1 385.432 -0.074 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571259756 945399772 /nfs/dbraw/zinc/39/97/72/945399772.db2.gz QOVGGQQHIBEPPN-VXGBXAGGSA-N -1 1 385.432 -0.074 20 0 GBADMM CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001571259756 945399762 /nfs/dbraw/zinc/39/97/62/945399762.db2.gz QOVGGQQHIBEPPN-VXGBXAGGSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001571259766 945398823 /nfs/dbraw/zinc/39/88/23/945398823.db2.gz QRZIWIVGYQEIBN-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001571259766 945398814 /nfs/dbraw/zinc/39/88/14/945398814.db2.gz QRZIWIVGYQEIBN-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001571259767 945398682 /nfs/dbraw/zinc/39/86/82/945398682.db2.gz QRZIWIVGYQEIBN-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001571259767 945398675 /nfs/dbraw/zinc/39/86/75/945398675.db2.gz QRZIWIVGYQEIBN-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM 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O=C(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571259816 945399942 /nfs/dbraw/zinc/39/99/42/945399942.db2.gz KMTZAWZMVQCWNU-UPJWGTAASA-N -1 1 385.432 -0.785 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001571259820 945398227 /nfs/dbraw/zinc/39/82/27/945398227.db2.gz KRMOZTDXAJTVML-GRYCIOLGSA-N -1 1 385.432 -0.629 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001571259820 945398213 /nfs/dbraw/zinc/39/82/13/945398213.db2.gz KRMOZTDXAJTVML-GRYCIOLGSA-N -1 1 385.432 -0.629 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001571259821 945398854 /nfs/dbraw/zinc/39/88/54/945398854.db2.gz KRMOZTDXAJTVML-IJLUTSLNSA-N -1 1 385.432 -0.629 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001571259821 945398846 /nfs/dbraw/zinc/39/88/46/945398846.db2.gz KRMOZTDXAJTVML-IJLUTSLNSA-N -1 1 385.432 -0.629 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571259822 945399696 /nfs/dbraw/zinc/39/96/96/945399696.db2.gz KSNCEFNLALJPHQ-GFCCVEGCSA-N -1 1 385.432 -0.388 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571259822 945399689 /nfs/dbraw/zinc/39/96/89/945399689.db2.gz KSNCEFNLALJPHQ-GFCCVEGCSA-N -1 1 385.432 -0.388 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571259823 945398546 /nfs/dbraw/zinc/39/85/46/945398546.db2.gz KSNCEFNLALJPHQ-LBPRGKRZSA-N -1 1 385.432 -0.388 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571259823 945398534 /nfs/dbraw/zinc/39/85/34/945398534.db2.gz KSNCEFNLALJPHQ-LBPRGKRZSA-N -1 1 385.432 -0.388 20 0 GBADMM O=C(C[C@H]1CCCC(=O)N1)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571259826 945400214 /nfs/dbraw/zinc/40/02/14/945400214.db2.gz KUIZTMKSVLRECR-NEPJUHHUSA-N -1 1 385.432 -0.200 20 0 GBADMM O=C(C[C@H]1CCCC(=O)N1)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571259826 945400205 /nfs/dbraw/zinc/40/02/05/945400205.db2.gz KUIZTMKSVLRECR-NEPJUHHUSA-N -1 1 385.432 -0.200 20 0 GBADMM O=C(C[C@@H]1CCCC(=O)N1)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571259827 945398264 /nfs/dbraw/zinc/39/82/64/945398264.db2.gz KUIZTMKSVLRECR-RYUDHWBXSA-N -1 1 385.432 -0.200 20 0 GBADMM O=C(C[C@@H]1CCCC(=O)N1)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571259827 945398252 /nfs/dbraw/zinc/39/82/52/945398252.db2.gz KUIZTMKSVLRECR-RYUDHWBXSA-N -1 1 385.432 -0.200 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571259828 945398885 /nfs/dbraw/zinc/39/88/85/945398885.db2.gz KUXKGMAPHCYERR-ZDUSSCGKSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571259828 945398876 /nfs/dbraw/zinc/39/88/76/945398876.db2.gz KUXKGMAPHCYERR-ZDUSSCGKSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCCC1=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259829 945400291 /nfs/dbraw/zinc/40/02/91/945400291.db2.gz KYOMXLCQYYTXDX-HAQNSBGRSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCCC1=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259829 945400287 /nfs/dbraw/zinc/40/02/87/945400287.db2.gz KYOMXLCQYYTXDX-HAQNSBGRSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571259848 945402156 /nfs/dbraw/zinc/40/21/56/945402156.db2.gz LLPVLMLLBVXWBM-GFCCVEGCSA-N -1 1 385.432 -0.485 20 0 GBADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)NC1 ZINC001571259849 945401627 /nfs/dbraw/zinc/40/16/27/945401627.db2.gz LLPVLMLLBVXWBM-LBPRGKRZSA-N -1 1 385.432 -0.485 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259850 945401923 /nfs/dbraw/zinc/40/19/23/945401923.db2.gz LNECAKCJZBLILM-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259850 945401917 /nfs/dbraw/zinc/40/19/17/945401917.db2.gz LNECAKCJZBLILM-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259851 945401722 /nfs/dbraw/zinc/40/17/22/945401722.db2.gz LNECAKCJZBLILM-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCCC(=O)N1)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259851 945401716 /nfs/dbraw/zinc/40/17/16/945401716.db2.gz LNECAKCJZBLILM-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259852 945401039 /nfs/dbraw/zinc/40/10/39/945401039.db2.gz LNVAXIAGEKEQOC-KXNHARMFSA-N -1 1 385.432 -0.183 20 0 GBADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259852 945401032 /nfs/dbraw/zinc/40/10/32/945401032.db2.gz LNVAXIAGEKEQOC-KXNHARMFSA-N -1 1 385.432 -0.183 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259866 945402179 /nfs/dbraw/zinc/40/21/79/945402179.db2.gz LXUYFAODGSJKQX-NEPJUHHUSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259866 945402173 /nfs/dbraw/zinc/40/21/73/945402173.db2.gz LXUYFAODGSJKQX-NEPJUHHUSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259867 945402284 /nfs/dbraw/zinc/40/22/84/945402284.db2.gz LXUYFAODGSJKQX-NWDGAFQWSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259867 945402279 /nfs/dbraw/zinc/40/22/79/945402279.db2.gz LXUYFAODGSJKQX-NWDGAFQWSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259868 945401256 /nfs/dbraw/zinc/40/12/56/945401256.db2.gz LXUYFAODGSJKQX-RYUDHWBXSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259868 945401245 /nfs/dbraw/zinc/40/12/45/945401245.db2.gz LXUYFAODGSJKQX-RYUDHWBXSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259869 945400759 /nfs/dbraw/zinc/40/07/59/945400759.db2.gz LXUYFAODGSJKQX-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259869 945400753 /nfs/dbraw/zinc/40/07/53/945400753.db2.gz LXUYFAODGSJKQX-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259870 945400996 /nfs/dbraw/zinc/40/09/96/945400996.db2.gz MBSGMSFZMKVPAM-NEPJUHHUSA-N -1 1 385.432 -0.181 20 0 GBADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259870 945400993 /nfs/dbraw/zinc/40/09/93/945400993.db2.gz MBSGMSFZMKVPAM-NEPJUHHUSA-N -1 1 385.432 -0.181 20 0 GBADMM NC(=O)[C@H]1CC[C@H]1C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259871 945401693 /nfs/dbraw/zinc/40/16/93/945401693.db2.gz MBSGMSFZMKVPAM-NWDGAFQWSA-N -1 1 385.432 -0.181 20 0 GBADMM NC(=O)[C@H]1CC[C@H]1C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259871 945401685 /nfs/dbraw/zinc/40/16/85/945401685.db2.gz MBSGMSFZMKVPAM-NWDGAFQWSA-N -1 1 385.432 -0.181 20 0 GBADMM NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259872 945402216 /nfs/dbraw/zinc/40/22/16/945402216.db2.gz MBSGMSFZMKVPAM-RYUDHWBXSA-N -1 1 385.432 -0.181 20 0 GBADMM NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259872 945402210 /nfs/dbraw/zinc/40/22/10/945402210.db2.gz MBSGMSFZMKVPAM-RYUDHWBXSA-N -1 1 385.432 -0.181 20 0 GBADMM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259873 945401109 /nfs/dbraw/zinc/40/11/09/945401109.db2.gz MBSGMSFZMKVPAM-VXGBXAGGSA-N -1 1 385.432 -0.181 20 0 GBADMM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259873 945401102 /nfs/dbraw/zinc/40/11/02/945401102.db2.gz MBSGMSFZMKVPAM-VXGBXAGGSA-N -1 1 385.432 -0.181 20 0 GBADMM O=C([C@@H]1CCC(=O)NC1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571259874 945402042 /nfs/dbraw/zinc/40/20/42/945402042.db2.gz MDSJTMHIULQSHD-NEPJUHHUSA-N -1 1 385.432 -0.602 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571259875 945401399 /nfs/dbraw/zinc/40/13/99/945401399.db2.gz MDSJTMHIULQSHD-RYUDHWBXSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571259886 945401075 /nfs/dbraw/zinc/40/10/75/945401075.db2.gz MJTVWYLNLZDGFZ-WOPDTQHZSA-N -1 1 385.432 -0.604 20 0 GBADMM O=C(CCN1CCCC1=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571259892 945402092 /nfs/dbraw/zinc/40/20/92/945402092.db2.gz MLMVHORNMJWPOB-GFCCVEGCSA-N -1 1 385.432 -0.070 20 0 GBADMM O=C(CCN1CCCC1=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571259892 945402084 /nfs/dbraw/zinc/40/20/84/945402084.db2.gz MLMVHORNMJWPOB-GFCCVEGCSA-N -1 1 385.432 -0.070 20 0 GBADMM O=C(CCN1CCCC1=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571259893 945401190 /nfs/dbraw/zinc/40/11/90/945401190.db2.gz MLMVHORNMJWPOB-LBPRGKRZSA-N -1 1 385.432 -0.070 20 0 GBADMM O=C(CCN1CCCC1=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571259893 945401183 /nfs/dbraw/zinc/40/11/83/945401183.db2.gz MLMVHORNMJWPOB-LBPRGKRZSA-N -1 1 385.432 -0.070 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1=O ZINC001571259896 945401810 /nfs/dbraw/zinc/40/18/10/945401810.db2.gz MNSHLZRBGSZPKL-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1=O ZINC001571259896 945401800 /nfs/dbraw/zinc/40/18/00/945401800.db2.gz MNSHLZRBGSZPKL-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1=O ZINC001571259897 945402299 /nfs/dbraw/zinc/40/22/99/945402299.db2.gz MNSHLZRBGSZPKL-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1=O ZINC001571259897 945402294 /nfs/dbraw/zinc/40/22/94/945402294.db2.gz MNSHLZRBGSZPKL-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC001571259899 945401977 /nfs/dbraw/zinc/40/19/77/945401977.db2.gz MRBMSVKHVYLCEG-NWDGAFQWSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC001571259899 945401973 /nfs/dbraw/zinc/40/19/73/945401973.db2.gz MRBMSVKHVYLCEG-NWDGAFQWSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC001571259900 945401577 /nfs/dbraw/zinc/40/15/77/945401577.db2.gz MRBMSVKHVYLCEG-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC001571259900 945401570 /nfs/dbraw/zinc/40/15/70/945401570.db2.gz MRBMSVKHVYLCEG-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM O=C(NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCNC(=O)C1 ZINC001571259906 945402325 /nfs/dbraw/zinc/40/23/25/945402325.db2.gz MUZKYZLRJJJUIJ-UNXYVOJBSA-N -1 1 385.432 -0.556 20 0 GBADMM O=C(NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCNC(=O)C1 ZINC001571259907 945400928 /nfs/dbraw/zinc/40/09/28/945400928.db2.gz MUZKYZLRJJJUIJ-VOMCLLRMSA-N -1 1 385.432 -0.556 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001571259911 945402267 /nfs/dbraw/zinc/40/22/67/945402267.db2.gz MXZQVIUOJKQORH-NEPJUHHUSA-N -1 1 385.432 -0.424 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001571259911 945402260 /nfs/dbraw/zinc/40/22/60/945402260.db2.gz MXZQVIUOJKQORH-NEPJUHHUSA-N -1 1 385.432 -0.424 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001571259912 945401603 /nfs/dbraw/zinc/40/16/03/945401603.db2.gz MXZQVIUOJKQORH-NWDGAFQWSA-N -1 1 385.432 -0.424 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001571259912 945401597 /nfs/dbraw/zinc/40/15/97/945401597.db2.gz MXZQVIUOJKQORH-NWDGAFQWSA-N -1 1 385.432 -0.424 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001571259913 945401287 /nfs/dbraw/zinc/40/12/87/945401287.db2.gz MXZQVIUOJKQORH-RYUDHWBXSA-N -1 1 385.432 -0.424 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001571259913 945401278 /nfs/dbraw/zinc/40/12/78/945401278.db2.gz MXZQVIUOJKQORH-RYUDHWBXSA-N -1 1 385.432 -0.424 20 0 GBADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001571259914 945404161 /nfs/dbraw/zinc/40/41/61/945404161.db2.gz RPNQFGHJSOZNHQ-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571259917 945403175 /nfs/dbraw/zinc/40/31/75/945403175.db2.gz RWBIIOYPTDXKDZ-UHFFFAOYSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571259917 945403172 /nfs/dbraw/zinc/40/31/72/945403172.db2.gz RWBIIOYPTDXKDZ-UHFFFAOYSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001571259925 945403757 /nfs/dbraw/zinc/40/37/57/945403757.db2.gz SBDGNCRAOYHNOO-AULYBMBSSA-N -1 1 385.432 -0.250 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001571259925 945403746 /nfs/dbraw/zinc/40/37/46/945403746.db2.gz SBDGNCRAOYHNOO-AULYBMBSSA-N -1 1 385.432 -0.250 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001571259933 945404070 /nfs/dbraw/zinc/40/40/70/945404070.db2.gz SGBRKIUTERHDOD-GFCCVEGCSA-N -1 1 385.432 -0.294 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001571259933 945404063 /nfs/dbraw/zinc/40/40/63/945404063.db2.gz SGBRKIUTERHDOD-GFCCVEGCSA-N -1 1 385.432 -0.294 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001571259934 945403658 /nfs/dbraw/zinc/40/36/58/945403658.db2.gz SGBRKIUTERHDOD-LBPRGKRZSA-N -1 1 385.432 -0.294 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001571259934 945403656 /nfs/dbraw/zinc/40/36/56/945403656.db2.gz SGBRKIUTERHDOD-LBPRGKRZSA-N -1 1 385.432 -0.294 20 0 GBADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001571259944 945404431 /nfs/dbraw/zinc/40/44/31/945404431.db2.gz SLSLVGIEPDGZEI-MNOVXSKESA-N -1 1 385.432 -0.039 20 0 GBADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001571259944 945404422 /nfs/dbraw/zinc/40/44/22/945404422.db2.gz SLSLVGIEPDGZEI-MNOVXSKESA-N -1 1 385.432 -0.039 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571259950 945403508 /nfs/dbraw/zinc/40/35/08/945403508.db2.gz SPBHOKQBLGVKAL-CYBMUJFWSA-N -1 1 385.432 -0.294 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571259950 945403504 /nfs/dbraw/zinc/40/35/04/945403504.db2.gz SPBHOKQBLGVKAL-CYBMUJFWSA-N -1 1 385.432 -0.294 20 0 GBADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571259951 945404222 /nfs/dbraw/zinc/40/42/22/945404222.db2.gz SRFGCWWJVOMUTJ-OLZOCXBDSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571259951 945404212 /nfs/dbraw/zinc/40/42/12/945404212.db2.gz SRFGCWWJVOMUTJ-OLZOCXBDSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571259952 945403559 /nfs/dbraw/zinc/40/35/59/945403559.db2.gz SRFGCWWJVOMUTJ-STQMWFEESA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571259952 945403553 /nfs/dbraw/zinc/40/35/53/945403553.db2.gz SRFGCWWJVOMUTJ-STQMWFEESA-N -1 1 385.432 -0.390 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571259953 945403353 /nfs/dbraw/zinc/40/33/53/945403353.db2.gz STKKPILYBJVVEB-GRYCIOLGSA-N -1 1 385.432 -0.344 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571259953 945403351 /nfs/dbraw/zinc/40/33/51/945403351.db2.gz STKKPILYBJVVEB-GRYCIOLGSA-N -1 1 385.432 -0.344 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571259954 945403454 /nfs/dbraw/zinc/40/34/54/945403454.db2.gz STKKPILYBJVVEB-SDDRHHMPSA-N -1 1 385.432 -0.344 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571259954 945403449 /nfs/dbraw/zinc/40/34/49/945403449.db2.gz STKKPILYBJVVEB-SDDRHHMPSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001571259956 945403673 /nfs/dbraw/zinc/40/36/73/945403673.db2.gz UEKLSXHPLFDLAZ-JLLWLGSASA-N -1 1 385.432 -0.183 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001571259956 945403672 /nfs/dbraw/zinc/40/36/72/945403672.db2.gz UEKLSXHPLFDLAZ-JLLWLGSASA-N -1 1 385.432 -0.183 20 0 GBADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001571259957 945403467 /nfs/dbraw/zinc/40/34/67/945403467.db2.gz UEKLSXHPLFDLAZ-WCQGTBRESA-N -1 1 385.432 -0.183 20 0 GBADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001571259957 945403462 /nfs/dbraw/zinc/40/34/62/945403462.db2.gz UEKLSXHPLFDLAZ-WCQGTBRESA-N -1 1 385.432 -0.183 20 0 GBADMM CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259959 945403163 /nfs/dbraw/zinc/40/31/63/945403163.db2.gz UHLLSDBLTSKSER-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259959 945403158 /nfs/dbraw/zinc/40/31/58/945403158.db2.gz UHLLSDBLTSKSER-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571259960 945403573 /nfs/dbraw/zinc/40/35/73/945403573.db2.gz UHLLSDBLTSKSER-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571259960 945403567 /nfs/dbraw/zinc/40/35/67/945403567.db2.gz UHLLSDBLTSKSER-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)C[C@H]1CCNC1=O)c1ccnc(-c2nn[n-]n2)n1 ZINC001571259961 945403954 /nfs/dbraw/zinc/40/39/54/945403954.db2.gz UHXQBRIMSXWDLE-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)C[C@@H]1CCNC1=O)c1ccnc(-c2nn[n-]n2)n1 ZINC001571259962 945403434 /nfs/dbraw/zinc/40/34/34/945403434.db2.gz UHXQBRIMSXWDLE-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)C[C@@H]1CCNC1=O)c1ccnc(-c2nn[n-]n2)n1 ZINC001571259963 945403201 /nfs/dbraw/zinc/40/32/01/945403201.db2.gz UHXQBRIMSXWDLE-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)C[C@H]1CCNC1=O)c1ccnc(-c2nn[n-]n2)n1 ZINC001571259964 945403129 /nfs/dbraw/zinc/40/31/29/945403129.db2.gz UHXQBRIMSXWDLE-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CC1(NC(=O)[C@@H]2CCNC(=O)C2)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571259965 945404009 /nfs/dbraw/zinc/40/40/09/945404009.db2.gz UISXZCGHGSAPHD-LLVKDONJSA-N -1 1 385.432 -0.342 20 0 GBADMM CC1(NC(=O)[C@H]2CCNC(=O)C2)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571259966 945403839 /nfs/dbraw/zinc/40/38/39/945403839.db2.gz UISXZCGHGSAPHD-NSHDSACASA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259973 945403819 /nfs/dbraw/zinc/40/38/19/945403819.db2.gz ULVCBTPNDNSRJU-GXTWGEPZSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259973 945403812 /nfs/dbraw/zinc/40/38/12/945403812.db2.gz ULVCBTPNDNSRJU-GXTWGEPZSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259974 945403626 /nfs/dbraw/zinc/40/36/26/945403626.db2.gz ULVCBTPNDNSRJU-TZMCWYRMSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259974 945403620 /nfs/dbraw/zinc/40/36/20/945403620.db2.gz ULVCBTPNDNSRJU-TZMCWYRMSA-N -1 1 385.432 -0.247 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571259984 945403876 /nfs/dbraw/zinc/40/38/76/945403876.db2.gz UYDFCJIUGUTWRF-OBJOEFQTSA-N -1 1 385.432 -0.833 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571259984 945403870 /nfs/dbraw/zinc/40/38/70/945403870.db2.gz UYDFCJIUGUTWRF-OBJOEFQTSA-N -1 1 385.432 -0.833 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571259985 945403691 /nfs/dbraw/zinc/40/36/91/945403691.db2.gz UYDFCJIUGUTWRF-SGMGOOAPSA-N -1 1 385.432 -0.833 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571259985 945403685 /nfs/dbraw/zinc/40/36/85/945403685.db2.gz UYDFCJIUGUTWRF-SGMGOOAPSA-N -1 1 385.432 -0.833 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571259986 945403283 /nfs/dbraw/zinc/40/32/83/945403283.db2.gz UYLAENOKIVTXAS-WXRRBKDZSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571259986 945403279 /nfs/dbraw/zinc/40/32/79/945403279.db2.gz UYLAENOKIVTXAS-WXRRBKDZSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001571260000 945405518 /nfs/dbraw/zinc/40/55/18/945405518.db2.gz VIHXWLUWTFMWSL-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001571260000 945405515 /nfs/dbraw/zinc/40/55/15/945405515.db2.gz VIHXWLUWTFMWSL-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001571260001 945404963 /nfs/dbraw/zinc/40/49/63/945404963.db2.gz VIHXWLUWTFMWSL-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001571260001 945404955 /nfs/dbraw/zinc/40/49/55/945404955.db2.gz VIHXWLUWTFMWSL-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001571260002 945405116 /nfs/dbraw/zinc/40/51/16/945405116.db2.gz VIHXWLUWTFMWSL-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001571260002 945405110 /nfs/dbraw/zinc/40/51/10/945405110.db2.gz VIHXWLUWTFMWSL-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001571260003 945405920 /nfs/dbraw/zinc/40/59/20/945405920.db2.gz VIHXWLUWTFMWSL-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001571260003 945405918 /nfs/dbraw/zinc/40/59/18/945405918.db2.gz VIHXWLUWTFMWSL-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001571260007 945405589 /nfs/dbraw/zinc/40/55/89/945405589.db2.gz VNOHDRSQROIGBJ-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001571260007 945405579 /nfs/dbraw/zinc/40/55/79/945405579.db2.gz VNOHDRSQROIGBJ-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001571260008 945405015 /nfs/dbraw/zinc/40/50/15/945405015.db2.gz VNOHDRSQROIGBJ-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001571260008 945405006 /nfs/dbraw/zinc/40/50/06/945405006.db2.gz VNOHDRSQROIGBJ-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001571260014 945405082 /nfs/dbraw/zinc/40/50/82/945405082.db2.gz MXZQVIUOJKQORH-VXGBXAGGSA-N -1 1 385.432 -0.424 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001571260014 945405074 /nfs/dbraw/zinc/40/50/74/945405074.db2.gz MXZQVIUOJKQORH-VXGBXAGGSA-N -1 1 385.432 -0.424 20 0 GBADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCNC(=O)C1 ZINC001571260024 945405221 /nfs/dbraw/zinc/40/52/21/945405221.db2.gz NDGJGLNOUMCWIQ-NEPJUHHUSA-N -1 1 385.432 -0.485 20 0 GBADMM 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O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCNC(=O)C1 ZINC001571260027 945405351 /nfs/dbraw/zinc/40/53/51/945405351.db2.gz NDGJGLNOUMCWIQ-VXGBXAGGSA-N -1 1 385.432 -0.485 20 0 GBADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCNC(=O)C1 ZINC001571260027 945405343 /nfs/dbraw/zinc/40/53/43/945405343.db2.gz NDGJGLNOUMCWIQ-VXGBXAGGSA-N -1 1 385.432 -0.485 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H](C)C2)n1 ZINC001571260030 945405328 /nfs/dbraw/zinc/40/53/28/945405328.db2.gz NKXVKASUZASDOM-JLLWLGSASA-N -1 1 385.432 -0.568 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H](C)C2)n1 ZINC001571260030 945405322 /nfs/dbraw/zinc/40/53/22/945405322.db2.gz NKXVKASUZASDOM-JLLWLGSASA-N -1 1 385.432 -0.568 20 0 GBADMM CN1CC[C@H](C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571260031 945406035 /nfs/dbraw/zinc/40/60/35/945406035.db2.gz NMFMGCFXXRHDIH-NEPJUHHUSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1CC[C@H](C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571260031 945406030 /nfs/dbraw/zinc/40/60/30/945406030.db2.gz NMFMGCFXXRHDIH-NEPJUHHUSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1CC[C@@H](C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571260032 945405653 /nfs/dbraw/zinc/40/56/53/945405653.db2.gz NMFMGCFXXRHDIH-NWDGAFQWSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1CC[C@@H](C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571260032 945405644 /nfs/dbraw/zinc/40/56/44/945405644.db2.gz NMFMGCFXXRHDIH-NWDGAFQWSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1CC[C@H](C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571260033 945405977 /nfs/dbraw/zinc/40/59/77/945405977.db2.gz NMFMGCFXXRHDIH-RYUDHWBXSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1CC[C@H](C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571260033 945405973 /nfs/dbraw/zinc/40/59/73/945405973.db2.gz NMFMGCFXXRHDIH-RYUDHWBXSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1CC[C@@H](C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1=O ZINC001571260034 945405043 /nfs/dbraw/zinc/40/50/43/945405043.db2.gz NMFMGCFXXRHDIH-VXGBXAGGSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1CC[C@@H](C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1=O ZINC001571260034 945405034 /nfs/dbraw/zinc/40/50/34/945405034.db2.gz NMFMGCFXXRHDIH-VXGBXAGGSA-N -1 1 385.432 -0.215 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260048 945405415 /nfs/dbraw/zinc/40/54/15/945405415.db2.gz NTLOGFSZTMYVGE-NEPJUHHUSA-N -1 1 385.432 -0.106 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260048 945405410 /nfs/dbraw/zinc/40/54/10/945405410.db2.gz NTLOGFSZTMYVGE-NEPJUHHUSA-N -1 1 385.432 -0.106 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260049 945405773 /nfs/dbraw/zinc/40/57/73/945405773.db2.gz NTLOGFSZTMYVGE-RYUDHWBXSA-N -1 1 385.432 -0.106 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260049 945405768 /nfs/dbraw/zinc/40/57/68/945405768.db2.gz NTLOGFSZTMYVGE-RYUDHWBXSA-N -1 1 385.432 -0.106 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)C[C@H]3CCN(C)C3=O)C2)n1 ZINC001571260053 945405900 /nfs/dbraw/zinc/40/59/00/945405900.db2.gz NXOKLKCLIIPXHB-IJLUTSLNSA-N -1 1 385.432 -0.107 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)C[C@H]3CCN(C)C3=O)C2)n1 ZINC001571260053 945405898 /nfs/dbraw/zinc/40/58/98/945405898.db2.gz NXOKLKCLIIPXHB-IJLUTSLNSA-N -1 1 385.432 -0.107 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)C[C@@H]3CCN(C)C3=O)C2)n1 ZINC001571260054 945405802 /nfs/dbraw/zinc/40/58/02/945405802.db2.gz NXOKLKCLIIPXHB-SRVKXCTJSA-N -1 1 385.432 -0.107 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)C[C@@H]3CCN(C)C3=O)C2)n1 ZINC001571260054 945405798 /nfs/dbraw/zinc/40/57/98/945405798.db2.gz NXOKLKCLIIPXHB-SRVKXCTJSA-N -1 1 385.432 -0.107 20 0 GBADMM O=C([C@@H]1CCNC(=O)C1)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571260059 945405426 /nfs/dbraw/zinc/40/54/26/945405426.db2.gz OCGCNWFFKKJFBD-GFCCVEGCSA-N -1 1 385.432 -0.745 20 0 GBADMM O=C([C@H]1CCNC(=O)C1)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571260060 945405739 /nfs/dbraw/zinc/40/57/39/945405739.db2.gz OCGCNWFFKKJFBD-LBPRGKRZSA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571260062 945405475 /nfs/dbraw/zinc/40/54/75/945405475.db2.gz ODBQTULVESGWEE-NQBHXWOUSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571260062 945405470 /nfs/dbraw/zinc/40/54/70/945405470.db2.gz ODBQTULVESGWEE-NQBHXWOUSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571260063 945406187 /nfs/dbraw/zinc/40/61/87/945406187.db2.gz ODBQTULVESGWEE-NTZNESFSSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571260063 945406184 /nfs/dbraw/zinc/40/61/84/945406184.db2.gz ODBQTULVESGWEE-NTZNESFSSA-N -1 1 385.432 -0.026 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571260064 945405295 /nfs/dbraw/zinc/40/52/95/945405295.db2.gz OERWGWRIYYAARB-GRYCIOLGSA-N -1 1 385.432 -0.617 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1=O ZINC001571260071 945405241 /nfs/dbraw/zinc/40/52/41/945405241.db2.gz OJXWILAOJDMGFI-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1=O ZINC001571260071 945405233 /nfs/dbraw/zinc/40/52/33/945405233.db2.gz OJXWILAOJDMGFI-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1=O ZINC001571260072 945405398 /nfs/dbraw/zinc/40/53/98/945405398.db2.gz OJXWILAOJDMGFI-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1=O ZINC001571260072 945405391 /nfs/dbraw/zinc/40/53/91/945405391.db2.gz OJXWILAOJDMGFI-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1=O ZINC001571260073 945405720 /nfs/dbraw/zinc/40/57/20/945405720.db2.gz OJXWILAOJDMGFI-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@@H](CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1=O ZINC001571260073 945405712 /nfs/dbraw/zinc/40/57/12/945405712.db2.gz OJXWILAOJDMGFI-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1=O ZINC001571260074 945407293 /nfs/dbraw/zinc/40/72/93/945407293.db2.gz OJXWILAOJDMGFI-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1=O ZINC001571260074 945407287 /nfs/dbraw/zinc/40/72/87/945407287.db2.gz OJXWILAOJDMGFI-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM O=C(C[C@H]1CCCC(=O)N1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571260076 945408198 /nfs/dbraw/zinc/40/81/98/945408198.db2.gz OOHIGGMBPOQWCK-NEPJUHHUSA-N -1 1 385.432 -0.460 20 0 GBADMM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571260077 945407521 /nfs/dbraw/zinc/40/75/21/945407521.db2.gz OOHIGGMBPOQWCK-NWDGAFQWSA-N -1 1 385.432 -0.460 20 0 GBADMM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571260079 945407651 /nfs/dbraw/zinc/40/76/51/945407651.db2.gz OOHIGGMBPOQWCK-RYUDHWBXSA-N -1 1 385.432 -0.460 20 0 GBADMM O=C(C[C@H]1CCCC(=O)N1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571260080 945407357 /nfs/dbraw/zinc/40/73/57/945407357.db2.gz OOHIGGMBPOQWCK-VXGBXAGGSA-N -1 1 385.432 -0.460 20 0 GBADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001571260082 945407565 /nfs/dbraw/zinc/40/75/65/945407565.db2.gz VWKXFXAIJILVMZ-CMPLNLGQSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001571260082 945407562 /nfs/dbraw/zinc/40/75/62/945407562.db2.gz VWKXFXAIJILVMZ-CMPLNLGQSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001571260084 945407871 /nfs/dbraw/zinc/40/78/71/945407871.db2.gz VWKXFXAIJILVMZ-JQWIXIFHSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001571260084 945407864 /nfs/dbraw/zinc/40/78/64/945407864.db2.gz VWKXFXAIJILVMZ-JQWIXIFHSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)C[C@H]1CCNC1=O ZINC001571260086 945407465 /nfs/dbraw/zinc/40/74/65/945407465.db2.gz VWKXFXAIJILVMZ-PWSUYJOCSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)C[C@H]1CCNC1=O ZINC001571260086 945407461 /nfs/dbraw/zinc/40/74/61/945407461.db2.gz VWKXFXAIJILVMZ-PWSUYJOCSA-N -1 1 385.432 -0.486 20 0 GBADMM 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CN1CC[C@H](C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001571260355 945412478 /nfs/dbraw/zinc/41/24/78/945412478.db2.gz QILFUUGNXZGVSI-RYUDHWBXSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001571260355 945412475 /nfs/dbraw/zinc/41/24/75/945412475.db2.gz QILFUUGNXZGVSI-RYUDHWBXSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001571260356 945412087 /nfs/dbraw/zinc/41/20/87/945412087.db2.gz QILFUUGNXZGVSI-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001571260356 945412075 /nfs/dbraw/zinc/41/20/75/945412075.db2.gz QILFUUGNXZGVSI-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001571260363 945414860 /nfs/dbraw/zinc/41/48/60/945414860.db2.gz QQPFQKJCNFBLMT-UTUOFQBUSA-N -1 1 385.432 -0.534 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571260376 945414984 /nfs/dbraw/zinc/41/49/84/945414984.db2.gz QZNOQOLNRLOCFD-HNCHTBHHSA-N -1 1 385.432 -0.183 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571260376 945414975 /nfs/dbraw/zinc/41/49/75/945414975.db2.gz QZNOQOLNRLOCFD-HNCHTBHHSA-N -1 1 385.432 -0.183 20 0 GBADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571260379 945414882 /nfs/dbraw/zinc/41/48/82/945414882.db2.gz RBCMUFBQWKWBRY-CXQJBGSLSA-N -1 1 385.432 -0.698 20 0 GBADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCNC(=O)CC1 ZINC001571260380 945413875 /nfs/dbraw/zinc/41/38/75/945413875.db2.gz RBCMUFBQWKWBRY-IJLUTSLNSA-N -1 1 385.432 -0.698 20 0 GBADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCNC(=O)CC1 ZINC001571260381 945414346 /nfs/dbraw/zinc/41/43/46/945414346.db2.gz RBCMUFBQWKWBRY-MOENNCHZSA-N -1 1 385.432 -0.698 20 0 GBADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571260382 945414947 /nfs/dbraw/zinc/41/49/47/945414947.db2.gz RBCMUFBQWKWBRY-SDDRHHMPSA-N -1 1 385.432 -0.698 20 0 GBADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571260383 945413704 /nfs/dbraw/zinc/41/37/04/945413704.db2.gz RBCMUFBQWKWBRY-SRVKXCTJSA-N -1 1 385.432 -0.698 20 0 GBADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCNC(=O)CC1 ZINC001571260384 945413992 /nfs/dbraw/zinc/41/39/92/945413992.db2.gz RBCMUFBQWKWBRY-UTUOFQBUSA-N -1 1 385.432 -0.698 20 0 GBADMM CN1C[C@H](C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)CC1=O ZINC001571260393 945413927 /nfs/dbraw/zinc/41/39/27/945413927.db2.gz RJDNHICOBUAKDW-GFCCVEGCSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@H](C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)CC1=O ZINC001571260393 945413918 /nfs/dbraw/zinc/41/39/18/945413918.db2.gz RJDNHICOBUAKDW-GFCCVEGCSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)CC1=O ZINC001571260394 945414907 /nfs/dbraw/zinc/41/49/07/945414907.db2.gz RJDNHICOBUAKDW-LBPRGKRZSA-N -1 1 385.432 -0.215 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)CC1=O ZINC001571260394 945414903 /nfs/dbraw/zinc/41/49/03/945414903.db2.gz RJDNHICOBUAKDW-LBPRGKRZSA-N -1 1 385.432 -0.215 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@H]3CCC(=O)NC3)C2)n1 ZINC001571260396 945414219 /nfs/dbraw/zinc/41/42/19/945414219.db2.gz RJYKGEJCCMJQHJ-UNXYVOJBSA-N -1 1 385.432 -0.107 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@H]3CCC(=O)NC3)C2)n1 ZINC001571260396 945414217 /nfs/dbraw/zinc/41/42/17/945414217.db2.gz RJYKGEJCCMJQHJ-UNXYVOJBSA-N -1 1 385.432 -0.107 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@@H]3CCC(=O)NC3)C2)n1 ZINC001571260397 945413543 /nfs/dbraw/zinc/41/35/43/945413543.db2.gz RJYKGEJCCMJQHJ-VOMCLLRMSA-N -1 1 385.432 -0.107 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@@H]3CCC(=O)NC3)C2)n1 ZINC001571260397 945413537 /nfs/dbraw/zinc/41/35/37/945413537.db2.gz RJYKGEJCCMJQHJ-VOMCLLRMSA-N -1 1 385.432 -0.107 20 0 GBADMM O=c1cc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571260410 945414303 /nfs/dbraw/zinc/41/43/03/945414303.db2.gz RVBZWBXCUBNLEW-KBPBESRZSA-N -1 1 385.432 -0.354 20 0 GBADMM O=c1cc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571260411 945414787 /nfs/dbraw/zinc/41/47/87/945414787.db2.gz RVBZWBXCUBNLEW-KGLIPLIRSA-N -1 1 385.432 -0.354 20 0 GBADMM O=c1cc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571260412 945414082 /nfs/dbraw/zinc/41/40/82/945414082.db2.gz RVBZWBXCUBNLEW-UONOGXRCSA-N -1 1 385.432 -0.354 20 0 GBADMM O=c1cc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571260413 945414231 /nfs/dbraw/zinc/41/42/31/945414231.db2.gz RVBZWBXCUBNLEW-ZIAGYGMSSA-N -1 1 385.432 -0.354 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CC1=O ZINC001571260418 945414182 /nfs/dbraw/zinc/41/41/82/945414182.db2.gz SCIMJVOUBZYHNU-GFCCVEGCSA-N -1 1 385.432 -0.436 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC1=O ZINC001571260418 945414176 /nfs/dbraw/zinc/41/41/76/945414176.db2.gz SCIMJVOUBZYHNU-GFCCVEGCSA-N -1 1 385.432 -0.436 20 0 GBADMM CN1CC[C@H](C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CC1=O ZINC001571260419 945413941 /nfs/dbraw/zinc/41/39/41/945413941.db2.gz SCIMJVOUBZYHNU-LBPRGKRZSA-N -1 1 385.432 -0.436 20 0 GBADMM CN1CC[C@H](C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC1=O ZINC001571260419 945413937 /nfs/dbraw/zinc/41/39/37/945413937.db2.gz SCIMJVOUBZYHNU-LBPRGKRZSA-N -1 1 385.432 -0.436 20 0 GBADMM O=C(CN1CCCCCC1=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571260425 945414799 /nfs/dbraw/zinc/41/47/99/945414799.db2.gz SKUMFDOJZDHXPO-GFCCVEGCSA-N -1 1 385.432 -0.506 20 0 GBADMM O=C(CN1CCCCCC1=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571260426 945413644 /nfs/dbraw/zinc/41/36/44/945413644.db2.gz SKUMFDOJZDHXPO-LBPRGKRZSA-N -1 1 385.432 -0.506 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001571260427 945414839 /nfs/dbraw/zinc/41/48/39/945414839.db2.gz SMLFAFQNUZUEFP-GRYCIOLGSA-N -1 1 385.432 -0.629 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001571260427 945414831 /nfs/dbraw/zinc/41/48/31/945414831.db2.gz SMLFAFQNUZUEFP-GRYCIOLGSA-N -1 1 385.432 -0.629 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001571260428 945414203 /nfs/dbraw/zinc/41/42/03/945414203.db2.gz SMLFAFQNUZUEFP-IJLUTSLNSA-N -1 1 385.432 -0.629 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001571260428 945414195 /nfs/dbraw/zinc/41/41/95/945414195.db2.gz SMLFAFQNUZUEFP-IJLUTSLNSA-N -1 1 385.432 -0.629 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571260429 945413978 /nfs/dbraw/zinc/41/39/78/945413978.db2.gz SRCOIDLVFVWXEJ-TUAOUCFPSA-N -1 1 385.432 -0.499 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571260429 945413973 /nfs/dbraw/zinc/41/39/73/945413973.db2.gz SRCOIDLVFVWXEJ-TUAOUCFPSA-N -1 1 385.432 -0.499 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571260430 945414455 /nfs/dbraw/zinc/41/44/55/945414455.db2.gz SRCOIDLVFVWXEJ-UTUOFQBUSA-N -1 1 385.432 -0.499 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571260430 945414449 /nfs/dbraw/zinc/41/44/49/945414449.db2.gz SRCOIDLVFVWXEJ-UTUOFQBUSA-N -1 1 385.432 -0.499 20 0 GBADMM C[C@@]1(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)CCC(=O)N1 ZINC001571260434 945414645 /nfs/dbraw/zinc/41/46/45/945414645.db2.gz SSNBLWXPXWNMKM-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)CCC(=O)N1 ZINC001571260434 945414640 /nfs/dbraw/zinc/41/46/40/945414640.db2.gz SSNBLWXPXWNMKM-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260440 945416492 /nfs/dbraw/zinc/41/64/92/945416492.db2.gz SVFVOKQXYPXVPB-NEPJUHHUSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260440 945416489 /nfs/dbraw/zinc/41/64/89/945416489.db2.gz SVFVOKQXYPXVPB-NEPJUHHUSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260441 945416346 /nfs/dbraw/zinc/41/63/46/945416346.db2.gz SVFVOKQXYPXVPB-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260441 945416340 /nfs/dbraw/zinc/41/63/40/945416340.db2.gz SVFVOKQXYPXVPB-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260442 945416076 /nfs/dbraw/zinc/41/60/76/945416076.db2.gz SVFVOKQXYPXVPB-RYUDHWBXSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(C[C@@H]1CCC(=O)N1)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260442 945416070 /nfs/dbraw/zinc/41/60/70/945416070.db2.gz SVFVOKQXYPXVPB-RYUDHWBXSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260443 945416364 /nfs/dbraw/zinc/41/63/64/945416364.db2.gz SVFVOKQXYPXVPB-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(C[C@H]1CCC(=O)N1)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260443 945416360 /nfs/dbraw/zinc/41/63/60/945416360.db2.gz SVFVOKQXYPXVPB-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571260446 945416796 /nfs/dbraw/zinc/41/67/96/945416796.db2.gz SZMAQHUIUPJYBL-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)NC1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571260446 945416791 /nfs/dbraw/zinc/41/67/91/945416791.db2.gz SZMAQHUIUPJYBL-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCC(=O)NC1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571260447 945415739 /nfs/dbraw/zinc/41/57/39/945415739.db2.gz SZMAQHUIUPJYBL-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCC(=O)NC1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571260447 945415733 /nfs/dbraw/zinc/41/57/33/945415733.db2.gz SZMAQHUIUPJYBL-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM CN1CC[C@H](C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571260460 945416530 /nfs/dbraw/zinc/41/65/30/945416530.db2.gz UBSVRKUZZHLAFY-NEPJUHHUSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1CC[C@@H](C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571260461 945415772 /nfs/dbraw/zinc/41/57/72/945415772.db2.gz UBSVRKUZZHLAFY-NWDGAFQWSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1CC[C@H](C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571260462 945415754 /nfs/dbraw/zinc/41/57/54/945415754.db2.gz UBSVRKUZZHLAFY-RYUDHWBXSA-N -1 1 385.432 -0.532 20 0 GBADMM CN1CC[C@@H](C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1=O ZINC001571260463 945416252 /nfs/dbraw/zinc/41/62/52/945416252.db2.gz UBSVRKUZZHLAFY-VXGBXAGGSA-N -1 1 385.432 -0.532 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001571260464 945416714 /nfs/dbraw/zinc/41/67/14/945416714.db2.gz UBZWVHQWJJGFLL-DGCLKSJQSA-N -1 1 385.432 -0.329 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001571260464 945416711 /nfs/dbraw/zinc/41/67/11/945416711.db2.gz UBZWVHQWJJGFLL-DGCLKSJQSA-N -1 1 385.432 -0.329 20 0 GBADMM O=C(CN1CCCC1=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571260465 945415803 /nfs/dbraw/zinc/41/58/03/945415803.db2.gz UCPJGWACPCNILA-UHFFFAOYSA-N -1 1 385.432 -0.070 20 0 GBADMM O=C(CN1CCCC1=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571260465 945415800 /nfs/dbraw/zinc/41/58/00/945415800.db2.gz UCPJGWACPCNILA-UHFFFAOYSA-N -1 1 385.432 -0.070 20 0 GBADMM O=C(C[C@H]1CCC(=O)NC1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571260479 945415935 /nfs/dbraw/zinc/41/59/35/945415935.db2.gz UOCCQSXBQHOWEQ-NEPJUHHUSA-N -1 1 385.432 -0.602 20 0 GBADMM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571260480 945416806 /nfs/dbraw/zinc/41/68/06/945416806.db2.gz UOCCQSXBQHOWEQ-NWDGAFQWSA-N -1 1 385.432 -0.602 20 0 GBADMM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571260481 945416404 /nfs/dbraw/zinc/41/64/04/945416404.db2.gz UOCCQSXBQHOWEQ-RYUDHWBXSA-N -1 1 385.432 -0.602 20 0 GBADMM O=C(C[C@H]1CCC(=O)NC1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571260482 945416156 /nfs/dbraw/zinc/41/61/56/945416156.db2.gz UOCCQSXBQHOWEQ-VXGBXAGGSA-N -1 1 385.432 -0.602 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@@H]3CCC(=O)N3C)CC2)n1 ZINC001571260483 945416565 /nfs/dbraw/zinc/41/65/65/945416565.db2.gz UPFTZSQWIJKEKK-ZDUSSCGKSA-N -1 1 385.432 -0.329 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@@H]3CCC(=O)N3C)CC2)n1 ZINC001571260483 945416563 /nfs/dbraw/zinc/41/65/63/945416563.db2.gz UPFTZSQWIJKEKK-ZDUSSCGKSA-N -1 1 385.432 -0.329 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)[C@@H](C)[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260484 945416429 /nfs/dbraw/zinc/41/64/29/945416429.db2.gz URASBSHDNNSQKO-BJDJZHNGSA-N -1 1 385.432 -0.061 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)[C@@H](C)[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260484 945416425 /nfs/dbraw/zinc/41/64/25/945416425.db2.gz URASBSHDNNSQKO-BJDJZHNGSA-N -1 1 385.432 -0.061 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)[C@H](C)[C@H]3CCC(=O)N3)C2)n1 ZINC001571260485 945416331 /nfs/dbraw/zinc/41/63/31/945416331.db2.gz URASBSHDNNSQKO-DDHJBXDOSA-N -1 1 385.432 -0.061 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)[C@H](C)[C@H]3CCC(=O)N3)C2)n1 ZINC001571260485 945416325 /nfs/dbraw/zinc/41/63/25/945416325.db2.gz URASBSHDNNSQKO-DDHJBXDOSA-N -1 1 385.432 -0.061 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)[C@@H](C)[C@H]3CCC(=O)N3)C2)n1 ZINC001571260486 945416872 /nfs/dbraw/zinc/41/68/72/945416872.db2.gz URASBSHDNNSQKO-FIQHERPVSA-N -1 1 385.432 -0.061 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)[C@@H](C)[C@H]3CCC(=O)N3)C2)n1 ZINC001571260486 945416869 /nfs/dbraw/zinc/41/68/69/945416869.db2.gz URASBSHDNNSQKO-FIQHERPVSA-N -1 1 385.432 -0.061 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)[C@H](C)[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260487 945416758 /nfs/dbraw/zinc/41/67/58/945416758.db2.gz URASBSHDNNSQKO-KKOKHZNYSA-N -1 1 385.432 -0.061 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)[C@H](C)[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260487 945416751 /nfs/dbraw/zinc/41/67/51/945416751.db2.gz URASBSHDNNSQKO-KKOKHZNYSA-N -1 1 385.432 -0.061 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260488 945416587 /nfs/dbraw/zinc/41/65/87/945416587.db2.gz USUITTBPXNNCRF-AAEUAGOBSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260488 945416584 /nfs/dbraw/zinc/41/65/84/945416584.db2.gz USUITTBPXNNCRF-AAEUAGOBSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260489 945416640 /nfs/dbraw/zinc/41/66/40/945416640.db2.gz USUITTBPXNNCRF-YPMHNXCESA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCC(=O)N1)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260489 945416634 /nfs/dbraw/zinc/41/66/34/945416634.db2.gz USUITTBPXNNCRF-YPMHNXCESA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571260501 945416662 /nfs/dbraw/zinc/41/66/62/945416662.db2.gz UXJXKVUQSCSQBJ-NQBHXWOUSA-N -1 1 385.432 -0.216 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571260501 945416658 /nfs/dbraw/zinc/41/66/58/945416658.db2.gz UXJXKVUQSCSQBJ-NQBHXWOUSA-N -1 1 385.432 -0.216 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571260506 945416555 /nfs/dbraw/zinc/41/65/55/945416555.db2.gz VBXYNSSQUPQKTR-TUAOUCFPSA-N -1 1 385.432 -0.499 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571260506 945416551 /nfs/dbraw/zinc/41/65/51/945416551.db2.gz VBXYNSSQUPQKTR-TUAOUCFPSA-N -1 1 385.432 -0.499 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571260507 945416575 /nfs/dbraw/zinc/41/65/75/945416575.db2.gz VBXYNSSQUPQKTR-UTUOFQBUSA-N -1 1 385.432 -0.499 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571260507 945416573 /nfs/dbraw/zinc/41/65/73/945416573.db2.gz VBXYNSSQUPQKTR-UTUOFQBUSA-N -1 1 385.432 -0.499 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)NC1 ZINC001571260522 945418641 /nfs/dbraw/zinc/41/86/41/945418641.db2.gz VLVKSMRRMRMKAN-QJPTWQEYSA-N -1 1 385.432 -0.120 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)NC1 ZINC001571260522 945418634 /nfs/dbraw/zinc/41/86/34/945418634.db2.gz VLVKSMRRMRMKAN-QJPTWQEYSA-N -1 1 385.432 -0.120 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)NC1 ZINC001571260523 945418361 /nfs/dbraw/zinc/41/83/61/945418361.db2.gz VLVKSMRRMRMKAN-SDDRHHMPSA-N -1 1 385.432 -0.120 20 0 GBADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)NC1 ZINC001571260523 945418358 /nfs/dbraw/zinc/41/83/58/945418358.db2.gz VLVKSMRRMRMKAN-SDDRHHMPSA-N -1 1 385.432 -0.120 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571260524 945418373 /nfs/dbraw/zinc/41/83/73/945418373.db2.gz VNAQPNZSLHSKHV-NWDGAFQWSA-N -1 1 385.432 -0.329 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571260524 945418370 /nfs/dbraw/zinc/41/83/70/945418370.db2.gz VNAQPNZSLHSKHV-NWDGAFQWSA-N -1 1 385.432 -0.329 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571260525 945418001 /nfs/dbraw/zinc/41/80/01/945418001.db2.gz VNAQPNZSLHSKHV-VXGBXAGGSA-N -1 1 385.432 -0.329 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571260525 945417999 /nfs/dbraw/zinc/41/79/99/945417999.db2.gz VNAQPNZSLHSKHV-VXGBXAGGSA-N -1 1 385.432 -0.329 20 0 GBADMM CN1C[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001571260530 945418312 /nfs/dbraw/zinc/41/83/12/945418312.db2.gz VVOBBWBLLAPYKS-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001571260530 945418306 /nfs/dbraw/zinc/41/83/06/945418306.db2.gz VVOBBWBLLAPYKS-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001571260531 945417959 /nfs/dbraw/zinc/41/79/59/945417959.db2.gz VVOBBWBLLAPYKS-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001571260531 945417954 /nfs/dbraw/zinc/41/79/54/945417954.db2.gz VVOBBWBLLAPYKS-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001571260532 945418386 /nfs/dbraw/zinc/41/83/86/945418386.db2.gz VVOBBWBLLAPYKS-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001571260532 945418382 /nfs/dbraw/zinc/41/83/82/945418382.db2.gz VVOBBWBLLAPYKS-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001571260533 945418193 /nfs/dbraw/zinc/41/81/93/945418193.db2.gz VVOBBWBLLAPYKS-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM CN1C[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001571260533 945418189 /nfs/dbraw/zinc/41/81/89/945418189.db2.gz VVOBBWBLLAPYKS-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCNC(=O)C1 ZINC001571260536 945417860 /nfs/dbraw/zinc/41/78/60/945417860.db2.gz VZMOVVHEQWWESG-NEPJUHHUSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCNC(=O)C1 ZINC001571260536 945417853 /nfs/dbraw/zinc/41/78/53/945417853.db2.gz VZMOVVHEQWWESG-NEPJUHHUSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1CCNC(=O)C1 ZINC001571260537 945418148 /nfs/dbraw/zinc/41/81/48/945418148.db2.gz VZMOVVHEQWWESG-NWDGAFQWSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1CCNC(=O)C1 ZINC001571260537 945418145 /nfs/dbraw/zinc/41/81/45/945418145.db2.gz VZMOVVHEQWWESG-NWDGAFQWSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1CCNC(=O)C1 ZINC001571260538 945418339 /nfs/dbraw/zinc/41/83/39/945418339.db2.gz VZMOVVHEQWWESG-RYUDHWBXSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1CCNC(=O)C1 ZINC001571260538 945418335 /nfs/dbraw/zinc/41/83/35/945418335.db2.gz VZMOVVHEQWWESG-RYUDHWBXSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCNC(=O)C1 ZINC001571260539 945417730 /nfs/dbraw/zinc/41/77/30/945417730.db2.gz VZMOVVHEQWWESG-VXGBXAGGSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCNC(=O)C1 ZINC001571260539 945417722 /nfs/dbraw/zinc/41/77/22/945417722.db2.gz VZMOVVHEQWWESG-VXGBXAGGSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(CN1CCCC1=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571260541 945418209 /nfs/dbraw/zinc/41/82/09/945418209.db2.gz WDQSOYYZQSKXHT-NEPJUHHUSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCC1=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571260541 945418204 /nfs/dbraw/zinc/41/82/04/945418204.db2.gz WDQSOYYZQSKXHT-NEPJUHHUSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCC1=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571260542 945418494 /nfs/dbraw/zinc/41/84/94/945418494.db2.gz WDQSOYYZQSKXHT-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCC1=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571260542 945418491 /nfs/dbraw/zinc/41/84/91/945418491.db2.gz WDQSOYYZQSKXHT-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCC1=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571260543 945418592 /nfs/dbraw/zinc/41/85/92/945418592.db2.gz WDQSOYYZQSKXHT-RYUDHWBXSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCC1=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571260543 945418580 /nfs/dbraw/zinc/41/85/80/945418580.db2.gz WDQSOYYZQSKXHT-RYUDHWBXSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCC1=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571260544 945418735 /nfs/dbraw/zinc/41/87/35/945418735.db2.gz WDQSOYYZQSKXHT-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCC1=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571260544 945418727 /nfs/dbraw/zinc/41/87/27/945418727.db2.gz WDQSOYYZQSKXHT-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571260545 945418351 /nfs/dbraw/zinc/41/83/51/945418351.db2.gz WDWBBPFGAWCOJW-IJLUTSLNSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571260545 945418347 /nfs/dbraw/zinc/41/83/47/945418347.db2.gz WDWBBPFGAWCOJW-IJLUTSLNSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571260546 945418266 /nfs/dbraw/zinc/41/82/66/945418266.db2.gz WDWBBPFGAWCOJW-UTUOFQBUSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571260546 945418260 /nfs/dbraw/zinc/41/82/60/945418260.db2.gz WDWBBPFGAWCOJW-UTUOFQBUSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571260559 945418089 /nfs/dbraw/zinc/41/80/89/945418089.db2.gz WRXJBABSTAHNIW-WYUUTHIRSA-N -1 1 385.432 -0.358 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571260559 945418085 /nfs/dbraw/zinc/41/80/85/945418085.db2.gz WRXJBABSTAHNIW-WYUUTHIRSA-N -1 1 385.432 -0.358 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260570 945418529 /nfs/dbraw/zinc/41/85/29/945418529.db2.gz WWRPSIGJZDZRAN-NEPJUHHUSA-N -1 1 385.432 -0.167 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260570 945418517 /nfs/dbraw/zinc/41/85/17/945418517.db2.gz WWRPSIGJZDZRAN-NEPJUHHUSA-N -1 1 385.432 -0.167 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260571 945417626 /nfs/dbraw/zinc/41/76/26/945417626.db2.gz WWRPSIGJZDZRAN-NWDGAFQWSA-N -1 1 385.432 -0.167 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260571 945417619 /nfs/dbraw/zinc/41/76/19/945417619.db2.gz WWRPSIGJZDZRAN-NWDGAFQWSA-N -1 1 385.432 -0.167 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260572 945418479 /nfs/dbraw/zinc/41/84/79/945418479.db2.gz WWRPSIGJZDZRAN-RYUDHWBXSA-N -1 1 385.432 -0.167 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260572 945418476 /nfs/dbraw/zinc/41/84/76/945418476.db2.gz WWRPSIGJZDZRAN-RYUDHWBXSA-N -1 1 385.432 -0.167 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260573 945418452 /nfs/dbraw/zinc/41/84/52/945418452.db2.gz WWRPSIGJZDZRAN-VXGBXAGGSA-N -1 1 385.432 -0.167 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260573 945418447 /nfs/dbraw/zinc/41/84/47/945418447.db2.gz WWRPSIGJZDZRAN-VXGBXAGGSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001571260574 945417975 /nfs/dbraw/zinc/41/79/75/945417975.db2.gz WXJGEQXOANRBSX-GRYCIOLGSA-N -1 1 385.432 -0.677 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001571260574 945417969 /nfs/dbraw/zinc/41/79/69/945417969.db2.gz WXJGEQXOANRBSX-GRYCIOLGSA-N -1 1 385.432 -0.677 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001571260575 945417840 /nfs/dbraw/zinc/41/78/40/945417840.db2.gz WXJGEQXOANRBSX-IJLUTSLNSA-N -1 1 385.432 -0.677 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001571260575 945417835 /nfs/dbraw/zinc/41/78/35/945417835.db2.gz WXJGEQXOANRBSX-IJLUTSLNSA-N -1 1 385.432 -0.677 20 0 GBADMM CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260587 945418033 /nfs/dbraw/zinc/41/80/33/945418033.db2.gz XCOXLHIYRGOIGZ-NEPJUHHUSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260587 945418027 /nfs/dbraw/zinc/41/80/27/945418027.db2.gz XCOXLHIYRGOIGZ-NEPJUHHUSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260588 945418713 /nfs/dbraw/zinc/41/87/13/945418713.db2.gz XCOXLHIYRGOIGZ-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260588 945418705 /nfs/dbraw/zinc/41/87/05/945418705.db2.gz XCOXLHIYRGOIGZ-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260589 945418750 /nfs/dbraw/zinc/41/87/50/945418750.db2.gz XCOXLHIYRGOIGZ-RYUDHWBXSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260589 945418747 /nfs/dbraw/zinc/41/87/47/945418747.db2.gz XCOXLHIYRGOIGZ-RYUDHWBXSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260590 945418329 /nfs/dbraw/zinc/41/83/29/945418329.db2.gz XCOXLHIYRGOIGZ-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260590 945418325 /nfs/dbraw/zinc/41/83/25/945418325.db2.gz XCOXLHIYRGOIGZ-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM CN1C[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CC1=O ZINC001571260593 945417703 /nfs/dbraw/zinc/41/77/03/945417703.db2.gz XEELRGFWXYBTJI-CMPLNLGQSA-N -1 1 385.432 -0.534 20 0 GBADMM CN1C[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CC1=O ZINC001571260593 945417693 /nfs/dbraw/zinc/41/76/93/945417693.db2.gz XEELRGFWXYBTJI-CMPLNLGQSA-N -1 1 385.432 -0.534 20 0 GBADMM CN1C[C@@H](C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CC1=O ZINC001571260594 945417874 /nfs/dbraw/zinc/41/78/74/945417874.db2.gz XEELRGFWXYBTJI-JQWIXIFHSA-N -1 1 385.432 -0.534 20 0 GBADMM CN1C[C@@H](C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CC1=O ZINC001571260594 945417870 /nfs/dbraw/zinc/41/78/70/945417870.db2.gz XEELRGFWXYBTJI-JQWIXIFHSA-N -1 1 385.432 -0.534 20 0 GBADMM CN1C[C@H](C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CC1=O ZINC001571260595 945418177 /nfs/dbraw/zinc/41/81/77/945418177.db2.gz XEELRGFWXYBTJI-PWSUYJOCSA-N -1 1 385.432 -0.534 20 0 GBADMM CN1C[C@H](C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CC1=O ZINC001571260595 945418174 /nfs/dbraw/zinc/41/81/74/945418174.db2.gz XEELRGFWXYBTJI-PWSUYJOCSA-N -1 1 385.432 -0.534 20 0 GBADMM CN1C[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CC1=O ZINC001571260596 945418104 /nfs/dbraw/zinc/41/81/04/945418104.db2.gz XEELRGFWXYBTJI-ZYHUDNBSSA-N -1 1 385.432 -0.534 20 0 GBADMM CN1C[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CC1=O ZINC001571260596 945418101 /nfs/dbraw/zinc/41/81/01/945418101.db2.gz XEELRGFWXYBTJI-ZYHUDNBSSA-N -1 1 385.432 -0.534 20 0 GBADMM O=C([C@@H]1CCNC(=O)C1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571260598 945421332 /nfs/dbraw/zinc/42/13/32/945421332.db2.gz XGNBMVGVOCVNGB-NEPJUHHUSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCNC(=O)C1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571260598 945421322 /nfs/dbraw/zinc/42/13/22/945421322.db2.gz XGNBMVGVOCVNGB-NEPJUHHUSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCNC(=O)C1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571260599 945420826 /nfs/dbraw/zinc/42/08/26/945420826.db2.gz XGNBMVGVOCVNGB-RYUDHWBXSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCNC(=O)C1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571260599 945420814 /nfs/dbraw/zinc/42/08/14/945420814.db2.gz XGNBMVGVOCVNGB-RYUDHWBXSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C(CN1CCCCC1=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571260601 945421070 /nfs/dbraw/zinc/42/10/70/945421070.db2.gz XHFCDHREAJXIQO-GFCCVEGCSA-N -1 1 385.432 -0.506 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571260609 945419789 /nfs/dbraw/zinc/41/97/89/945419789.db2.gz XKJFKSGCVZSVSR-NEPJUHHUSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571260609 945419783 /nfs/dbraw/zinc/41/97/83/945419783.db2.gz XKJFKSGCVZSVSR-NEPJUHHUSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571260610 945420741 /nfs/dbraw/zinc/42/07/41/945420741.db2.gz XKJFKSGCVZSVSR-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571260610 945420737 /nfs/dbraw/zinc/42/07/37/945420737.db2.gz XKJFKSGCVZSVSR-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571260611 945420864 /nfs/dbraw/zinc/42/08/64/945420864.db2.gz XKJFKSGCVZSVSR-RYUDHWBXSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571260611 945420859 /nfs/dbraw/zinc/42/08/59/945420859.db2.gz XKJFKSGCVZSVSR-RYUDHWBXSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571260612 945419679 /nfs/dbraw/zinc/41/96/79/945419679.db2.gz XKJFKSGCVZSVSR-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571260612 945419671 /nfs/dbraw/zinc/41/96/71/945419671.db2.gz XKJFKSGCVZSVSR-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC(=O)N1 ZINC001571260621 945420840 /nfs/dbraw/zinc/42/08/40/945420840.db2.gz XNTRPLMKZREGPI-NWDGAFQWSA-N -1 1 385.432 -0.342 20 0 GBADMM O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC(=O)N1 ZINC001571260622 945421395 /nfs/dbraw/zinc/42/13/95/945421395.db2.gz XNTRPLMKZREGPI-VXGBXAGGSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571260629 945419970 /nfs/dbraw/zinc/41/99/70/945419970.db2.gz XSPHRBQSHDRYSK-WYUUTHIRSA-N -1 1 385.432 -0.358 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571260629 945419963 /nfs/dbraw/zinc/41/99/63/945419963.db2.gz XSPHRBQSHDRYSK-WYUUTHIRSA-N -1 1 385.432 -0.358 20 0 GBADMM C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571260634 945419920 /nfs/dbraw/zinc/41/99/20/945419920.db2.gz XTKMYSXHMPGPDP-AGKHESDQSA-N -1 1 385.432 -0.168 20 0 GBADMM C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571260634 945419913 /nfs/dbraw/zinc/41/99/13/945419913.db2.gz XTKMYSXHMPGPDP-AGKHESDQSA-N -1 1 385.432 -0.168 20 0 GBADMM C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571260635 945420528 /nfs/dbraw/zinc/42/05/28/945420528.db2.gz XTKMYSXHMPGPDP-CZIZLABSSA-N -1 1 385.432 -0.168 20 0 GBADMM C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571260635 945420520 /nfs/dbraw/zinc/42/05/20/945420520.db2.gz XTKMYSXHMPGPDP-CZIZLABSSA-N -1 1 385.432 -0.168 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571260652 945419731 /nfs/dbraw/zinc/41/97/31/945419731.db2.gz YHZCUNOVAXXNAG-NEPJUHHUSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571260652 945419726 /nfs/dbraw/zinc/41/97/26/945419726.db2.gz YHZCUNOVAXXNAG-NEPJUHHUSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001571260653 945419643 /nfs/dbraw/zinc/41/96/43/945419643.db2.gz YHZCUNOVAXXNAG-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001571260653 945419636 /nfs/dbraw/zinc/41/96/36/945419636.db2.gz YHZCUNOVAXXNAG-NWDGAFQWSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001571260654 945419715 /nfs/dbraw/zinc/41/97/15/945419715.db2.gz YHZCUNOVAXXNAG-RYUDHWBXSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001571260654 945419711 /nfs/dbraw/zinc/41/97/11/945419711.db2.gz YHZCUNOVAXXNAG-RYUDHWBXSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571260655 945421356 /nfs/dbraw/zinc/42/13/56/945421356.db2.gz YHZCUNOVAXXNAG-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571260655 945421348 /nfs/dbraw/zinc/42/13/48/945421348.db2.gz YHZCUNOVAXXNAG-VXGBXAGGSA-N -1 1 385.432 -0.438 20 0 GBADMM O=C(CN1CCCCCC1=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260662 945420592 /nfs/dbraw/zinc/42/05/92/945420592.db2.gz YNNHVTDCELWFAZ-GFCCVEGCSA-N -1 1 385.432 -0.246 20 0 GBADMM O=C(CN1CCCCCC1=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260662 945420587 /nfs/dbraw/zinc/42/05/87/945420587.db2.gz YNNHVTDCELWFAZ-GFCCVEGCSA-N -1 1 385.432 -0.246 20 0 GBADMM O=C([C@H]1CCC(=O)N1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260667 945420758 /nfs/dbraw/zinc/42/07/58/945420758.db2.gz YQYWSPQHLQXGLX-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)N1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260667 945420753 /nfs/dbraw/zinc/42/07/53/945420753.db2.gz YQYWSPQHLQXGLX-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)N1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571260668 945421174 /nfs/dbraw/zinc/42/11/74/945421174.db2.gz YQYWSPQHLQXGLX-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCC(=O)N1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571260668 945421167 /nfs/dbraw/zinc/42/11/67/945421167.db2.gz YQYWSPQHLQXGLX-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571260669 945421144 /nfs/dbraw/zinc/42/11/44/945421144.db2.gz YRXDWVQOHZBWPP-NEPJUHHUSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@@H](C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571260669 945421137 /nfs/dbraw/zinc/42/11/37/945421137.db2.gz YRXDWVQOHZBWPP-NEPJUHHUSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571260670 945420946 /nfs/dbraw/zinc/42/09/46/945420946.db2.gz YRXDWVQOHZBWPP-RYUDHWBXSA-N -1 1 385.432 -0.072 20 0 GBADMM CN1CC[C@H](C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571260670 945420940 /nfs/dbraw/zinc/42/09/40/945420940.db2.gz YRXDWVQOHZBWPP-RYUDHWBXSA-N -1 1 385.432 -0.072 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260673 945421222 /nfs/dbraw/zinc/42/12/22/945421222.db2.gz YVNMYSAHRHTCTE-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@@H]1CCNC(=O)CC1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260673 945421214 /nfs/dbraw/zinc/42/12/14/945421214.db2.gz YVNMYSAHRHTCTE-NWDGAFQWSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571260674 945420019 /nfs/dbraw/zinc/42/00/19/945420019.db2.gz YVNMYSAHRHTCTE-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM O=C([C@H]1CCNC(=O)CC1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571260674 945420013 /nfs/dbraw/zinc/42/00/13/945420013.db2.gz YVNMYSAHRHTCTE-VXGBXAGGSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571260685 945422988 /nfs/dbraw/zinc/42/29/88/945422988.db2.gz ZJMGINHYHFFXRW-KKOKHZNYSA-N -1 1 385.432 -0.325 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571260685 945422982 /nfs/dbraw/zinc/42/29/82/945422982.db2.gz ZJMGINHYHFFXRW-KKOKHZNYSA-N -1 1 385.432 -0.325 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)C[C@H]3CCC(=O)N3)CC2)n1 ZINC001571260696 945422263 /nfs/dbraw/zinc/42/22/63/945422263.db2.gz ZRNFVKFAYRDIDP-GFCCVEGCSA-N -1 1 385.432 -0.281 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)C[C@H]3CCC(=O)N3)CC2)n1 ZINC001571260696 945422255 /nfs/dbraw/zinc/42/22/55/945422255.db2.gz ZRNFVKFAYRDIDP-GFCCVEGCSA-N -1 1 385.432 -0.281 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)C[C@@H]3CCC(=O)N3)CC2)n1 ZINC001571260697 945422761 /nfs/dbraw/zinc/42/27/61/945422761.db2.gz ZRNFVKFAYRDIDP-LBPRGKRZSA-N -1 1 385.432 -0.281 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)C[C@@H]3CCC(=O)N3)CC2)n1 ZINC001571260697 945422756 /nfs/dbraw/zinc/42/27/56/945422756.db2.gz ZRNFVKFAYRDIDP-LBPRGKRZSA-N -1 1 385.432 -0.281 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571260701 945423049 /nfs/dbraw/zinc/42/30/49/945423049.db2.gz ZRUUPBHRLHWFGW-GRYCIOLGSA-N -1 1 385.432 -0.249 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571260701 945423045 /nfs/dbraw/zinc/42/30/45/945423045.db2.gz ZRUUPBHRLHWFGW-GRYCIOLGSA-N -1 1 385.432 -0.249 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571260702 945422243 /nfs/dbraw/zinc/42/22/43/945422243.db2.gz ZRUUPBHRLHWFGW-WOPDTQHZSA-N -1 1 385.432 -0.249 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571260702 945422238 /nfs/dbraw/zinc/42/22/38/945422238.db2.gz ZRUUPBHRLHWFGW-WOPDTQHZSA-N -1 1 385.432 -0.249 20 0 GBADMM O=C(CN1CCCCC1=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571260703 945421994 /nfs/dbraw/zinc/42/19/94/945421994.db2.gz ZTACWXVLJAAQQG-LBPRGKRZSA-N -1 1 385.432 -0.246 20 0 GBADMM O=C(CN1CCCCC1=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571260703 945421985 /nfs/dbraw/zinc/42/19/85/945421985.db2.gz ZTACWXVLJAAQQG-LBPRGKRZSA-N -1 1 385.432 -0.246 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571260704 945422482 /nfs/dbraw/zinc/42/24/82/945422482.db2.gz ZWYHIGRLDAGBCC-NQBHXWOUSA-N -1 1 385.432 -0.216 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571260704 945422474 /nfs/dbraw/zinc/42/24/74/945422474.db2.gz ZWYHIGRLDAGBCC-NQBHXWOUSA-N -1 1 385.432 -0.216 20 0 GBADMM CS(=O)(=O)N1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571265489 945511508 /nfs/dbraw/zinc/51/15/08/945511508.db2.gz HFDUYFMKIATNJO-UHFFFAOYSA-N -1 1 385.475 -0.878 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O)[C@@H]1CCCO1 ZINC001571265828 945521277 /nfs/dbraw/zinc/52/12/77/945521277.db2.gz QCERIOIYMHADOS-CSMHCCOUSA-N -1 1 385.837 -0.179 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O)[C@@H]1CCCO1 ZINC001571265828 945521267 /nfs/dbraw/zinc/52/12/67/945521267.db2.gz QCERIOIYMHADOS-CSMHCCOUSA-N -1 1 385.837 -0.179 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O)[C@H]1CCCO1 ZINC001571265829 945520931 /nfs/dbraw/zinc/52/09/31/945520931.db2.gz QCERIOIYMHADOS-GJMOJQLCSA-N -1 1 385.837 -0.179 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O)[C@H]1CCCO1 ZINC001571265829 945520920 /nfs/dbraw/zinc/52/09/20/945520920.db2.gz QCERIOIYMHADOS-GJMOJQLCSA-N -1 1 385.837 -0.179 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O)[C@@H]1CCOC1 ZINC001571266123 945531874 /nfs/dbraw/zinc/53/18/74/945531874.db2.gz WUXIFNXHKQCEFQ-BWZBUEFSSA-N -1 1 385.837 -0.321 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O)[C@@H]1CCOC1 ZINC001571266123 945531866 /nfs/dbraw/zinc/53/18/66/945531866.db2.gz WUXIFNXHKQCEFQ-BWZBUEFSSA-N -1 1 385.837 -0.321 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O)[C@H]1CCOC1 ZINC001571266124 945531547 /nfs/dbraw/zinc/53/15/47/945531547.db2.gz WUXIFNXHKQCEFQ-XLPZGREQSA-N -1 1 385.837 -0.321 20 0 GBADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O)[C@H]1CCOC1 ZINC001571266124 945531537 /nfs/dbraw/zinc/53/15/37/945531537.db2.gz WUXIFNXHKQCEFQ-XLPZGREQSA-N -1 1 385.837 -0.321 20 0 GBADMM O=C(c1cnon1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571266909 945557550 /nfs/dbraw/zinc/55/75/50/945557550.db2.gz BZRMWFUKYWXWLC-JTQLQIEISA-N -1 1 386.376 -0.857 20 0 GBADMM O=C(c1cnon1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266909 945557546 /nfs/dbraw/zinc/55/75/46/945557546.db2.gz BZRMWFUKYWXWLC-JTQLQIEISA-N -1 1 386.376 -0.857 20 0 GBADMM O=C(c1cnon1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571266910 945556111 /nfs/dbraw/zinc/55/61/11/945556111.db2.gz BZRMWFUKYWXWLC-SNVBAGLBSA-N -1 1 386.376 -0.857 20 0 GBADMM O=C(c1cnon1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266910 945556100 /nfs/dbraw/zinc/55/61/00/945556100.db2.gz BZRMWFUKYWXWLC-SNVBAGLBSA-N -1 1 386.376 -0.857 20 0 GBADMM COCc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)o1 ZINC001571266931 945557614 /nfs/dbraw/zinc/55/76/14/945557614.db2.gz CQJZFWDHJLUCSH-VXGBXAGGSA-N -1 1 386.372 -0.624 20 0 GBADMM COCc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)o1 ZINC001571266931 945557607 /nfs/dbraw/zinc/55/76/07/945557607.db2.gz CQJZFWDHJLUCSH-VXGBXAGGSA-N -1 1 386.372 -0.624 20 0 GBADMM COc1ccc(C(=O)Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)cc1OC ZINC001571266934 945556266 /nfs/dbraw/zinc/55/62/66/945556266.db2.gz CUCVTWBYNASUTN-UHFFFAOYSA-N -1 1 386.368 -0.064 20 0 GBADMM Cc1nonc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266956 945557593 /nfs/dbraw/zinc/55/75/93/945557593.db2.gz DDUOMGRNVCRQGN-PSASIEDQSA-N -1 1 386.376 -0.888 20 0 GBADMM Cc1nonc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266957 945556914 /nfs/dbraw/zinc/55/69/14/945556914.db2.gz DDUOMGRNVCRQGN-SCZZXKLOSA-N -1 1 386.376 -0.888 20 0 GBADMM Cc1nonc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266958 945557690 /nfs/dbraw/zinc/55/76/90/945557690.db2.gz DDUOMGRNVCRQGN-WCBMZHEXSA-N -1 1 386.376 -0.888 20 0 GBADMM Cc1nonc1C(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266959 945556525 /nfs/dbraw/zinc/55/65/25/945556525.db2.gz DDUOMGRNVCRQGN-WPRPVWTQSA-N -1 1 386.376 -0.888 20 0 GBADMM O=C(c1cnon1)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571266973 945559009 /nfs/dbraw/zinc/55/90/09/945559009.db2.gz DYFBDWOTAGVBOZ-UHFFFAOYSA-N -1 1 386.376 -0.857 20 0 GBADMM O=C(c1cnon1)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571266973 945559004 /nfs/dbraw/zinc/55/90/04/945559004.db2.gz DYFBDWOTAGVBOZ-UHFFFAOYSA-N -1 1 386.376 -0.857 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1ccc2c(c1)OCO2 ZINC001571266976 945559268 /nfs/dbraw/zinc/55/92/68/945559268.db2.gz DZCJXRFYGBDVSV-UHFFFAOYSA-N -1 1 386.328 -0.321 20 0 GBADMM C[C@@H](C(=O)NC[C@H](O)C(=O)OCc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001571266984 945559523 /nfs/dbraw/zinc/55/95/23/945559523.db2.gz FKNJGHAEXOVGNL-JQWIXIFHSA-N -1 1 386.372 -0.760 20 0 GBADMM C[C@H](C(=O)NC[C@H](O)C(=O)OCc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001571266985 945559033 /nfs/dbraw/zinc/55/90/33/945559033.db2.gz FKNJGHAEXOVGNL-PWSUYJOCSA-N -1 1 386.372 -0.760 20 0 GBADMM COc1c(C)cnc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1C ZINC001571267000 945558801 /nfs/dbraw/zinc/55/88/01/945558801.db2.gz FWASAAHSACGZPB-UHFFFAOYSA-N -1 1 386.372 -0.534 20 0 GBADMM Cc1nnc(CC(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571267006 945558440 /nfs/dbraw/zinc/55/84/40/945558440.db2.gz FYXSPDLZKZXKHY-JTQLQIEISA-N -1 1 386.376 -0.770 20 0 GBADMM Cc1nnc(CC(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571267006 945558438 /nfs/dbraw/zinc/55/84/38/945558438.db2.gz FYXSPDLZKZXKHY-JTQLQIEISA-N -1 1 386.376 -0.770 20 0 GBADMM Cc1nnc(CC(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571267007 945559244 /nfs/dbraw/zinc/55/92/44/945559244.db2.gz FYXSPDLZKZXKHY-SNVBAGLBSA-N -1 1 386.376 -0.770 20 0 GBADMM Cc1nnc(CC(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571267007 945559231 /nfs/dbraw/zinc/55/92/31/945559231.db2.gz FYXSPDLZKZXKHY-SNVBAGLBSA-N -1 1 386.376 -0.770 20 0 GBADMM Cc1nonc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571267014 945559579 /nfs/dbraw/zinc/55/95/79/945559579.db2.gz GFKALSPONFWNSB-JTQLQIEISA-N -1 1 386.376 -0.627 20 0 GBADMM Cc1nonc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571267014 945559560 /nfs/dbraw/zinc/55/95/60/945559560.db2.gz GFKALSPONFWNSB-JTQLQIEISA-N -1 1 386.376 -0.627 20 0 GBADMM Cc1nonc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571267015 945559108 /nfs/dbraw/zinc/55/91/08/945559108.db2.gz GFKALSPONFWNSB-SNVBAGLBSA-N -1 1 386.376 -0.627 20 0 GBADMM Cc1nonc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571267015 945559103 /nfs/dbraw/zinc/55/91/03/945559103.db2.gz GFKALSPONFWNSB-SNVBAGLBSA-N -1 1 386.376 -0.627 20 0 GBADMM COCCn1cc(N2C[C@H](C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CC2=O)cn1 ZINC001571267116 945561239 /nfs/dbraw/zinc/56/12/39/945561239.db2.gz JSQMXMDYAADHGX-SECBINFHSA-N -1 1 386.376 -0.576 20 0 GBADMM COCCn1cc(N2C[C@H](C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CC2=O)cn1 ZINC001571267116 945561234 /nfs/dbraw/zinc/56/12/34/945561234.db2.gz JSQMXMDYAADHGX-SECBINFHSA-N -1 1 386.376 -0.576 20 0 GBADMM COCCn1cc(N2C[C@@H](C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CC2=O)cn1 ZINC001571267117 945561283 /nfs/dbraw/zinc/56/12/83/945561283.db2.gz JSQMXMDYAADHGX-VIFPVBQESA-N -1 1 386.376 -0.576 20 0 GBADMM COCCn1cc(N2C[C@@H](C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CC2=O)cn1 ZINC001571267117 945561276 /nfs/dbraw/zinc/56/12/76/945561276.db2.gz JSQMXMDYAADHGX-VIFPVBQESA-N -1 1 386.376 -0.576 20 0 GBADMM CN1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c2ccc(F)cc21 ZINC001571267137 945562865 /nfs/dbraw/zinc/56/28/65/945562865.db2.gz KJNYWIPPQLWOKI-UHFFFAOYSA-N -1 1 386.347 -0.249 20 0 GBADMM Cn1c(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]c1=O ZINC001571267158 945562607 /nfs/dbraw/zinc/56/26/07/945562607.db2.gz LETGTHIZWFUDNB-SECBINFHSA-N -1 1 386.376 -0.951 20 0 GBADMM Cn1c(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]c1=O ZINC001571267158 945562600 /nfs/dbraw/zinc/56/26/00/945562600.db2.gz LETGTHIZWFUDNB-SECBINFHSA-N -1 1 386.376 -0.951 20 0 GBADMM Cn1c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]c1=O ZINC001571267159 945563620 /nfs/dbraw/zinc/56/36/20/945563620.db2.gz LETGTHIZWFUDNB-VIFPVBQESA-N -1 1 386.376 -0.951 20 0 GBADMM Cn1c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]c1=O ZINC001571267159 945563612 /nfs/dbraw/zinc/56/36/12/945563612.db2.gz LETGTHIZWFUDNB-VIFPVBQESA-N -1 1 386.376 -0.951 20 0 GBADMM C[C@@H](NC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)c1ccnn1C ZINC001571267266 945564681 /nfs/dbraw/zinc/56/46/81/945564681.db2.gz ODNDTWRALZDUTD-MRVPVSSYSA-N -1 1 386.376 -0.810 20 0 GBADMM C[C@H](NC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)c1ccnn1C ZINC001571267267 945564506 /nfs/dbraw/zinc/56/45/06/945564506.db2.gz ODNDTWRALZDUTD-QMMMGPOBSA-N -1 1 386.376 -0.810 20 0 GBADMM CC(C)Oc1cccnc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571267291 945566649 /nfs/dbraw/zinc/56/66/49/945566649.db2.gz POLLHIHURVBWSN-UHFFFAOYSA-N -1 1 386.372 -0.259 20 0 GBADMM COC(=O)c1cccc(Cn2c(=O)c(-c3nn[n-]n3)c(C)n(CCO)c2=O)c1 ZINC001571267354 945567305 /nfs/dbraw/zinc/56/73/05/945567305.db2.gz RPAGRRYQTDBTPZ-UHFFFAOYSA-N -1 1 386.368 -0.674 20 0 GBADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cc2n(n1)CCCO2 ZINC001571267370 945569446 /nfs/dbraw/zinc/56/94/46/945569446.db2.gz SFPJUURNFSVJGV-UHFFFAOYSA-N -1 1 386.376 -0.342 20 0 GBADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cc2n(n1)CCCO2 ZINC001571267370 945569440 /nfs/dbraw/zinc/56/94/40/945569440.db2.gz SFPJUURNFSVJGV-UHFFFAOYSA-N -1 1 386.376 -0.342 20 0 GBADMM NC(=O)CCN(C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccc(F)cc1 ZINC001571267415 945568663 /nfs/dbraw/zinc/56/86/63/945568663.db2.gz UTRGLHRJCSBGSZ-UHFFFAOYSA-N -1 1 386.347 -0.529 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571267441 945570971 /nfs/dbraw/zinc/57/09/71/945570971.db2.gz VJFDGNBHPMHKRO-SECBINFHSA-N -1 1 386.376 -0.971 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571267441 945570968 /nfs/dbraw/zinc/57/09/68/945570968.db2.gz VJFDGNBHPMHKRO-SECBINFHSA-N -1 1 386.376 -0.971 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001571267442 945571905 /nfs/dbraw/zinc/57/19/05/945571905.db2.gz VJFDGNBHPMHKRO-VIFPVBQESA-N -1 1 386.376 -0.971 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001571267442 945571898 /nfs/dbraw/zinc/57/18/98/945571898.db2.gz VJFDGNBHPMHKRO-VIFPVBQESA-N -1 1 386.376 -0.971 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267456 945571814 /nfs/dbraw/zinc/57/18/14/945571814.db2.gz VSJCOKAIYZRFAK-SECBINFHSA-N -1 1 386.376 -0.653 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267456 945571807 /nfs/dbraw/zinc/57/18/07/945571807.db2.gz VSJCOKAIYZRFAK-SECBINFHSA-N -1 1 386.376 -0.653 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267457 945570594 /nfs/dbraw/zinc/57/05/94/945570594.db2.gz VSJCOKAIYZRFAK-VIFPVBQESA-N -1 1 386.376 -0.653 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267457 945570590 /nfs/dbraw/zinc/57/05/90/945570590.db2.gz VSJCOKAIYZRFAK-VIFPVBQESA-N -1 1 386.376 -0.653 20 0 GBADMM COc1ccc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)o1 ZINC001571267567 945573160 /nfs/dbraw/zinc/57/31/60/945573160.db2.gz YSRSUVPPPGHWQY-JTQLQIEISA-N -1 1 386.372 -0.107 20 0 GBADMM COc1ccc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)o1 ZINC001571267567 945573156 /nfs/dbraw/zinc/57/31/56/945573156.db2.gz YSRSUVPPPGHWQY-JTQLQIEISA-N -1 1 386.372 -0.107 20 0 GBADMM COc1ccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)o1 ZINC001571267568 945572394 /nfs/dbraw/zinc/57/23/94/945572394.db2.gz YSRSUVPPPGHWQY-SNVBAGLBSA-N -1 1 386.372 -0.107 20 0 GBADMM COc1ccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)o1 ZINC001571267568 945572384 /nfs/dbraw/zinc/57/23/84/945572384.db2.gz YSRSUVPPPGHWQY-SNVBAGLBSA-N -1 1 386.372 -0.107 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2CNC(=O)c2cnon2)n1 ZINC001571267583 945573496 /nfs/dbraw/zinc/57/34/96/945573496.db2.gz ZESBFAIZHCYREE-SECBINFHSA-N -1 1 386.376 -0.763 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2CNC(=O)c2cnon2)n1 ZINC001571267583 945573490 /nfs/dbraw/zinc/57/34/90/945573490.db2.gz ZESBFAIZHCYREE-SECBINFHSA-N -1 1 386.376 -0.763 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2CNC(=O)c2cnon2)n1 ZINC001571267584 945573907 /nfs/dbraw/zinc/57/39/07/945573907.db2.gz ZESBFAIZHCYREE-VIFPVBQESA-N -1 1 386.376 -0.763 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2CNC(=O)c2cnon2)n1 ZINC001571267584 945573900 /nfs/dbraw/zinc/57/39/00/945573900.db2.gz ZESBFAIZHCYREE-VIFPVBQESA-N -1 1 386.376 -0.763 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571267596 945573247 /nfs/dbraw/zinc/57/32/47/945573247.db2.gz ZLDYKOYBMPBSDK-SECBINFHSA-N -1 1 386.376 -0.971 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571267596 945573242 /nfs/dbraw/zinc/57/32/42/945573242.db2.gz ZLDYKOYBMPBSDK-SECBINFHSA-N -1 1 386.376 -0.971 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571267597 945573258 /nfs/dbraw/zinc/57/32/58/945573258.db2.gz ZLDYKOYBMPBSDK-VIFPVBQESA-N -1 1 386.376 -0.971 20 0 GBADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571267597 945573256 /nfs/dbraw/zinc/57/32/56/945573256.db2.gz ZLDYKOYBMPBSDK-VIFPVBQESA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2=COCCC2)CCO1 ZINC001571267628 945575556 /nfs/dbraw/zinc/57/55/56/945575556.db2.gz AOQPRDDIWHUQGU-AAEUAGOBSA-N -1 1 386.416 -0.199 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2=COCCC2)CCO1 ZINC001571267629 945574475 /nfs/dbraw/zinc/57/44/75/945574475.db2.gz AOQPRDDIWHUQGU-DGCLKSJQSA-N -1 1 386.416 -0.199 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2=COCCC2)CCO1 ZINC001571267630 945574823 /nfs/dbraw/zinc/57/48/23/945574823.db2.gz AOQPRDDIWHUQGU-WCQYABFASA-N -1 1 386.416 -0.199 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2=COCCC2)CCO1 ZINC001571267631 945575230 /nfs/dbraw/zinc/57/52/30/945575230.db2.gz AOQPRDDIWHUQGU-YPMHNXCESA-N -1 1 386.416 -0.199 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 ZINC001571267723 945577921 /nfs/dbraw/zinc/57/79/21/945577921.db2.gz CTXXFMXJNOOFMS-MNOVXSKESA-N -1 1 386.416 -0.133 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 ZINC001571267723 945577919 /nfs/dbraw/zinc/57/79/19/945577919.db2.gz CTXXFMXJNOOFMS-MNOVXSKESA-N -1 1 386.416 -0.133 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)n1 ZINC001571267724 945577399 /nfs/dbraw/zinc/57/73/99/945577399.db2.gz CTXXFMXJNOOFMS-QWRGUYRKSA-N -1 1 386.416 -0.133 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)n1 ZINC001571267724 945577392 /nfs/dbraw/zinc/57/73/92/945577392.db2.gz CTXXFMXJNOOFMS-QWRGUYRKSA-N -1 1 386.416 -0.133 20 0 GBADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571267781 945579126 /nfs/dbraw/zinc/57/91/26/945579126.db2.gz DSCOQLIYABBICQ-NEPJUHHUSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571267781 945579115 /nfs/dbraw/zinc/57/91/15/945579115.db2.gz DSCOQLIYABBICQ-NEPJUHHUSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571267782 945580098 /nfs/dbraw/zinc/58/00/98/945580098.db2.gz DSCOQLIYABBICQ-NWDGAFQWSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571267782 945580093 /nfs/dbraw/zinc/58/00/93/945580093.db2.gz DSCOQLIYABBICQ-NWDGAFQWSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571267783 945579681 /nfs/dbraw/zinc/57/96/81/945579681.db2.gz DSCOQLIYABBICQ-RYUDHWBXSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571267783 945579671 /nfs/dbraw/zinc/57/96/71/945579671.db2.gz DSCOQLIYABBICQ-RYUDHWBXSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571267784 945578972 /nfs/dbraw/zinc/57/89/72/945578972.db2.gz DSCOQLIYABBICQ-VXGBXAGGSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571267784 945578967 /nfs/dbraw/zinc/57/89/67/945578967.db2.gz DSCOQLIYABBICQ-VXGBXAGGSA-N -1 1 386.416 -0.107 20 0 GBADMM CO[C@@H]1COC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC001571267886 945582136 /nfs/dbraw/zinc/58/21/36/945582136.db2.gz HNBDJKBLPWISNA-ZIAGYGMSSA-N -1 1 386.416 -0.011 20 0 GBADMM CO[C@@H]1COC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC001571267886 945582130 /nfs/dbraw/zinc/58/21/30/945582130.db2.gz HNBDJKBLPWISNA-ZIAGYGMSSA-N -1 1 386.416 -0.011 20 0 GBADMM COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267921 945583197 /nfs/dbraw/zinc/58/31/97/945583197.db2.gz JETLSVHKIQVGKJ-NEPJUHHUSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267921 945583185 /nfs/dbraw/zinc/58/31/85/945583185.db2.gz JETLSVHKIQVGKJ-NEPJUHHUSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267922 945583231 /nfs/dbraw/zinc/58/32/31/945583231.db2.gz JETLSVHKIQVGKJ-NWDGAFQWSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267922 945583218 /nfs/dbraw/zinc/58/32/18/945583218.db2.gz JETLSVHKIQVGKJ-NWDGAFQWSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@H]1C[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267923 945584464 /nfs/dbraw/zinc/58/44/64/945584464.db2.gz JETLSVHKIQVGKJ-RYUDHWBXSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@H]1C[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267923 945584458 /nfs/dbraw/zinc/58/44/58/945584458.db2.gz JETLSVHKIQVGKJ-RYUDHWBXSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267924 945583052 /nfs/dbraw/zinc/58/30/52/945583052.db2.gz JETLSVHKIQVGKJ-VXGBXAGGSA-N -1 1 386.416 -0.107 20 0 GBADMM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267924 945583039 /nfs/dbraw/zinc/58/30/39/945583039.db2.gz JETLSVHKIQVGKJ-VXGBXAGGSA-N -1 1 386.416 -0.107 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001571268113 945588108 /nfs/dbraw/zinc/58/81/08/945588108.db2.gz ACNODBJLWNGSJF-CKYFFXLPSA-N -1 1 386.420 -0.514 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001571268113 945588103 /nfs/dbraw/zinc/58/81/03/945588103.db2.gz ACNODBJLWNGSJF-CKYFFXLPSA-N -1 1 386.420 -0.514 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001571268114 945587896 /nfs/dbraw/zinc/58/78/96/945587896.db2.gz ACNODBJLWNGSJF-NHCYSSNCSA-N -1 1 386.420 -0.514 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001571268114 945587890 /nfs/dbraw/zinc/58/78/90/945587890.db2.gz ACNODBJLWNGSJF-NHCYSSNCSA-N -1 1 386.420 -0.514 20 0 GBADMM CN1C[C@H](C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)NC1=O ZINC001571268116 945588203 /nfs/dbraw/zinc/58/82/03/945588203.db2.gz AHFFIGAXKWNGHP-GHMZBOCLSA-N -1 1 386.420 -0.669 20 0 GBADMM CN1C[C@H](C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)NC1=O ZINC001571268116 945588200 /nfs/dbraw/zinc/58/82/00/945588200.db2.gz AHFFIGAXKWNGHP-GHMZBOCLSA-N -1 1 386.420 -0.669 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)NC1=O ZINC001571268117 945587298 /nfs/dbraw/zinc/58/72/98/945587298.db2.gz AHFFIGAXKWNGHP-MNOVXSKESA-N -1 1 386.420 -0.669 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)NC1=O ZINC001571268117 945587291 /nfs/dbraw/zinc/58/72/91/945587291.db2.gz AHFFIGAXKWNGHP-MNOVXSKESA-N -1 1 386.420 -0.669 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)NC1=O ZINC001571268118 945587847 /nfs/dbraw/zinc/58/78/47/945587847.db2.gz AHFFIGAXKWNGHP-QWRGUYRKSA-N -1 1 386.420 -0.669 20 0 GBADMM CN1C[C@@H](C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)NC1=O ZINC001571268118 945587844 /nfs/dbraw/zinc/58/78/44/945587844.db2.gz AHFFIGAXKWNGHP-QWRGUYRKSA-N -1 1 386.420 -0.669 20 0 GBADMM CN1C[C@H](C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)NC1=O ZINC001571268119 945587238 /nfs/dbraw/zinc/58/72/38/945587238.db2.gz AHFFIGAXKWNGHP-WDEREUQCSA-N -1 1 386.420 -0.669 20 0 GBADMM CN1C[C@H](C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)NC1=O ZINC001571268119 945587225 /nfs/dbraw/zinc/58/72/25/945587225.db2.gz AHFFIGAXKWNGHP-WDEREUQCSA-N -1 1 386.420 -0.669 20 0 GBADMM O=C(CC1OCCCO1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571268127 945588058 /nfs/dbraw/zinc/58/80/58/945588058.db2.gz ARNGLZYFUKYNPN-TXEJJXNPSA-N -1 1 386.416 -0.296 20 0 GBADMM O=C(CC1OCCCO1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571268127 945588054 /nfs/dbraw/zinc/58/80/54/945588054.db2.gz ARNGLZYFUKYNPN-TXEJJXNPSA-N -1 1 386.416 -0.296 20 0 GBADMM NC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571268139 945587548 /nfs/dbraw/zinc/58/75/48/945587548.db2.gz AZWGINYOCNFJOL-GARJFASQSA-N -1 1 386.420 -0.494 20 0 GBADMM NC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571268139 945587535 /nfs/dbraw/zinc/58/75/35/945587535.db2.gz AZWGINYOCNFJOL-GARJFASQSA-N -1 1 386.420 -0.494 20 0 GBADMM NC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571268140 945588564 /nfs/dbraw/zinc/58/85/64/945588564.db2.gz AZWGINYOCNFJOL-MXWKQRLJSA-N -1 1 386.420 -0.494 20 0 GBADMM NC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571268140 945588553 /nfs/dbraw/zinc/58/85/53/945588553.db2.gz AZWGINYOCNFJOL-MXWKQRLJSA-N -1 1 386.420 -0.494 20 0 GBADMM CN1C[C@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)NC1=O ZINC001571268141 945587581 /nfs/dbraw/zinc/58/75/81/945587581.db2.gz BARZDMFYIKCABN-CKYFFXLPSA-N -1 1 386.420 -0.480 20 0 GBADMM CN1C[C@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)NC1=O ZINC001571268141 945587571 /nfs/dbraw/zinc/58/75/71/945587571.db2.gz BARZDMFYIKCABN-CKYFFXLPSA-N -1 1 386.420 -0.480 20 0 GBADMM CN1C[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)NC1=O ZINC001571268142 945587747 /nfs/dbraw/zinc/58/77/47/945587747.db2.gz BARZDMFYIKCABN-NHCYSSNCSA-N -1 1 386.420 -0.480 20 0 GBADMM CN1C[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)NC1=O ZINC001571268142 945587739 /nfs/dbraw/zinc/58/77/39/945587739.db2.gz BARZDMFYIKCABN-NHCYSSNCSA-N -1 1 386.420 -0.480 20 0 GBADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)[C@@H]1CC12CCOCC2 ZINC001571268153 945588392 /nfs/dbraw/zinc/58/83/92/945588392.db2.gz BJPKVXVYFQODTA-TUAOUCFPSA-N -1 1 386.416 -0.861 20 0 GBADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)[C@H]1CC12CCOCC2 ZINC001571268154 945588290 /nfs/dbraw/zinc/58/82/90/945588290.db2.gz BJPKVXVYFQODTA-UTUOFQBUSA-N -1 1 386.416 -0.861 20 0 GBADMM NC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571268168 945589092 /nfs/dbraw/zinc/58/90/92/945589092.db2.gz BQYAGXGSMNWIDL-MNOVXSKESA-N -1 1 386.420 -0.540 20 0 GBADMM NC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571268168 945589085 /nfs/dbraw/zinc/58/90/85/945589085.db2.gz BQYAGXGSMNWIDL-MNOVXSKESA-N -1 1 386.420 -0.540 20 0 GBADMM NC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571268169 945589176 /nfs/dbraw/zinc/58/91/76/945589176.db2.gz BQYAGXGSMNWIDL-QWRGUYRKSA-N -1 1 386.420 -0.540 20 0 GBADMM NC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571268169 945589167 /nfs/dbraw/zinc/58/91/67/945589167.db2.gz BQYAGXGSMNWIDL-QWRGUYRKSA-N -1 1 386.420 -0.540 20 0 GBADMM O=C(CN1CCCNC1=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268184 945590425 /nfs/dbraw/zinc/59/04/25/945590425.db2.gz BYZYVMHWFHHRCF-LLVKDONJSA-N -1 1 386.420 -0.668 20 0 GBADMM O=C(CN1CCCNC1=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268184 945590420 /nfs/dbraw/zinc/59/04/20/945590420.db2.gz BYZYVMHWFHHRCF-LLVKDONJSA-N -1 1 386.420 -0.668 20 0 GBADMM O=C(CN1CCCNC1=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268185 945590220 /nfs/dbraw/zinc/59/02/20/945590220.db2.gz BYZYVMHWFHHRCF-NSHDSACASA-N -1 1 386.420 -0.668 20 0 GBADMM O=C(CN1CCCNC1=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268185 945590217 /nfs/dbraw/zinc/59/02/17/945590217.db2.gz BYZYVMHWFHHRCF-NSHDSACASA-N -1 1 386.420 -0.668 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571268208 945590070 /nfs/dbraw/zinc/59/00/70/945590070.db2.gz CRAYFBSXUAYSLG-BYNQJWBRSA-N -1 1 386.416 -0.454 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571268208 945590064 /nfs/dbraw/zinc/59/00/64/945590064.db2.gz CRAYFBSXUAYSLG-BYNQJWBRSA-N -1 1 386.416 -0.454 20 0 GBADMM O=C(NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571268209 945590295 /nfs/dbraw/zinc/59/02/95/945590295.db2.gz CRAYFBSXUAYSLG-SFTQSGBHSA-N -1 1 386.416 -0.454 20 0 GBADMM O=C(NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571268209 945590291 /nfs/dbraw/zinc/59/02/91/945590291.db2.gz CRAYFBSXUAYSLG-SFTQSGBHSA-N -1 1 386.416 -0.454 20 0 GBADMM O=C([C@H]1CNC(=O)N1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268317 945591606 /nfs/dbraw/zinc/59/16/06/945591606.db2.gz CXFOXHMNXQTMGC-CMPLNLGQSA-N -1 1 386.420 -0.621 20 0 GBADMM O=C([C@H]1CNC(=O)N1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268317 945591594 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O=C(N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)[C@@H]1COCCO1 ZINC001571268348 945593775 /nfs/dbraw/zinc/59/37/75/945593775.db2.gz DPURCKRHQTZXFN-STQMWFEESA-N -1 1 386.416 -0.453 20 0 GBADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)[C@@H]1COCCO1 ZINC001571268348 945593768 /nfs/dbraw/zinc/59/37/68/945593768.db2.gz DPURCKRHQTZXFN-STQMWFEESA-N -1 1 386.416 -0.453 20 0 GBADMM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571268367 945593476 /nfs/dbraw/zinc/59/34/76/945593476.db2.gz FHGFCGZSBYSTAI-JUFZMCDQSA-N -1 1 386.416 -0.279 20 0 GBADMM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571268367 945593468 /nfs/dbraw/zinc/59/34/68/945593468.db2.gz FHGFCGZSBYSTAI-JUFZMCDQSA-N -1 1 386.416 -0.279 20 0 GBADMM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571268368 945594065 /nfs/dbraw/zinc/59/40/65/945594065.db2.gz FHGFCGZSBYSTAI-OZTPJHRESA-N -1 1 386.416 -0.279 20 0 GBADMM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571268368 945594056 /nfs/dbraw/zinc/59/40/56/945594056.db2.gz FHGFCGZSBYSTAI-OZTPJHRESA-N -1 1 386.416 -0.279 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001571268377 945594409 /nfs/dbraw/zinc/59/44/09/945594409.db2.gz FKSSIPFRZGMNFK-CMPLNLGQSA-N -1 1 386.420 -0.608 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001571268377 945594402 /nfs/dbraw/zinc/59/44/02/945594402.db2.gz FKSSIPFRZGMNFK-CMPLNLGQSA-N -1 1 386.420 -0.608 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001571268378 945593864 /nfs/dbraw/zinc/59/38/64/945593864.db2.gz FKSSIPFRZGMNFK-JQWIXIFHSA-N -1 1 386.420 -0.608 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001571268378 945593852 /nfs/dbraw/zinc/59/38/52/945593852.db2.gz FKSSIPFRZGMNFK-JQWIXIFHSA-N -1 1 386.420 -0.608 20 0 GBADMM CN1C[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)NC1=O ZINC001571268382 945593369 /nfs/dbraw/zinc/59/33/69/945593369.db2.gz FORHZIBRESARSJ-GHMZBOCLSA-N -1 1 386.420 -0.989 20 0 GBADMM CN1C[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)NC1=O ZINC001571268382 945593359 /nfs/dbraw/zinc/59/33/59/945593359.db2.gz FORHZIBRESARSJ-GHMZBOCLSA-N -1 1 386.420 -0.989 20 0 GBADMM CN1C[C@H](C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)NC1=O ZINC001571268383 945594472 /nfs/dbraw/zinc/59/44/72/945594472.db2.gz FORHZIBRESARSJ-MNOVXSKESA-N -1 1 386.420 -0.989 20 0 GBADMM CN1C[C@H](C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)NC1=O ZINC001571268383 945594470 /nfs/dbraw/zinc/59/44/70/945594470.db2.gz FORHZIBRESARSJ-MNOVXSKESA-N -1 1 386.420 -0.989 20 0 GBADMM CN1C[C@@H](C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)NC1=O ZINC001571268384 945593135 /nfs/dbraw/zinc/59/31/35/945593135.db2.gz FORHZIBRESARSJ-QWRGUYRKSA-N -1 1 386.420 -0.989 20 0 GBADMM CN1C[C@@H](C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)NC1=O ZINC001571268384 945593125 /nfs/dbraw/zinc/59/31/25/945593125.db2.gz FORHZIBRESARSJ-QWRGUYRKSA-N -1 1 386.420 -0.989 20 0 GBADMM CN1C[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)NC1=O ZINC001571268385 945594103 /nfs/dbraw/zinc/59/41/03/945594103.db2.gz FORHZIBRESARSJ-WDEREUQCSA-N -1 1 386.420 -0.989 20 0 GBADMM CN1C[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)NC1=O ZINC001571268385 945594098 /nfs/dbraw/zinc/59/40/98/945594098.db2.gz FORHZIBRESARSJ-WDEREUQCSA-N -1 1 386.420 -0.989 20 0 GBADMM C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571268434 945595057 /nfs/dbraw/zinc/59/50/57/945595057.db2.gz RVYBLEIIOHRHFF-VXGBXAGGSA-N -1 1 386.416 -0.137 20 0 GBADMM O=C(c1cnn(CCF)c1)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571268463 945595714 /nfs/dbraw/zinc/59/57/14/945595714.db2.gz SPGARDDJOLHJPY-LLVKDONJSA-N -1 1 386.395 -0.181 20 0 GBADMM O=C(c1cnn(CCF)c1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571268464 945595181 /nfs/dbraw/zinc/59/51/81/945595181.db2.gz SPGARDDJOLHJPY-NSHDSACASA-N -1 1 386.395 -0.181 20 0 GBADMM CN(C[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571268467 945595972 /nfs/dbraw/zinc/59/59/72/945595972.db2.gz STMRIZZUHAMEBB-NEPJUHHUSA-N -1 1 386.416 -0.105 20 0 GBADMM CN(C[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571268467 945595970 /nfs/dbraw/zinc/59/59/70/945595970.db2.gz STMRIZZUHAMEBB-NEPJUHHUSA-N -1 1 386.416 -0.105 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571268468 945595661 /nfs/dbraw/zinc/59/56/61/945595661.db2.gz STMRIZZUHAMEBB-NWDGAFQWSA-N -1 1 386.416 -0.105 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571268468 945595654 /nfs/dbraw/zinc/59/56/54/945595654.db2.gz STMRIZZUHAMEBB-NWDGAFQWSA-N -1 1 386.416 -0.105 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571268469 945595513 /nfs/dbraw/zinc/59/55/13/945595513.db2.gz STMRIZZUHAMEBB-RYUDHWBXSA-N -1 1 386.416 -0.105 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571268469 945595508 /nfs/dbraw/zinc/59/55/08/945595508.db2.gz STMRIZZUHAMEBB-RYUDHWBXSA-N -1 1 386.416 -0.105 20 0 GBADMM CN(C[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571268470 945595997 /nfs/dbraw/zinc/59/59/97/945595997.db2.gz STMRIZZUHAMEBB-VXGBXAGGSA-N -1 1 386.416 -0.105 20 0 GBADMM CN(C[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571268470 945595987 /nfs/dbraw/zinc/59/59/87/945595987.db2.gz STMRIZZUHAMEBB-VXGBXAGGSA-N -1 1 386.416 -0.105 20 0 GBADMM O=C(NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)[C@]12C[C@H]1COC2 ZINC001571268511 945597750 /nfs/dbraw/zinc/59/77/50/945597750.db2.gz GDMVCCDLYDEJGG-JKDFXYPNSA-N -1 1 386.416 -0.595 20 0 GBADMM O=C(NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)[C@]12C[C@H]1COC2 ZINC001571268511 945597743 /nfs/dbraw/zinc/59/77/43/945597743.db2.gz GDMVCCDLYDEJGG-JKDFXYPNSA-N -1 1 386.416 -0.595 20 0 GBADMM O=C(NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)[C@]12C[C@H]1COC2 ZINC001571268512 945597867 /nfs/dbraw/zinc/59/78/67/945597867.db2.gz GDMVCCDLYDEJGG-PRXAMGSTSA-N -1 1 386.416 -0.595 20 0 GBADMM O=C(NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)[C@]12C[C@H]1COC2 ZINC001571268512 945597861 /nfs/dbraw/zinc/59/78/61/945597861.db2.gz GDMVCCDLYDEJGG-PRXAMGSTSA-N -1 1 386.416 -0.595 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)[C@]12CCC[C@H]1OCC2 ZINC001571268522 945597469 /nfs/dbraw/zinc/59/74/69/945597469.db2.gz GKIUSRMQGWMXJW-ZFRZLUBXSA-N -1 1 386.416 -0.718 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)[C@]12CCC[C@H]1OCC2 ZINC001571268522 945597461 /nfs/dbraw/zinc/59/74/61/945597461.db2.gz GKIUSRMQGWMXJW-ZFRZLUBXSA-N -1 1 386.416 -0.718 20 0 GBADMM O=C(CN1CCCNC1=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571268536 945597635 /nfs/dbraw/zinc/59/76/35/945597635.db2.gz GUQCWPBXEYKSJI-NSHDSACASA-N -1 1 386.420 -0.843 20 0 GBADMM O=C(CN1CCCNC1=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571268536 945597628 /nfs/dbraw/zinc/59/76/28/945597628.db2.gz GUQCWPBXEYKSJI-NSHDSACASA-N -1 1 386.420 -0.843 20 0 GBADMM CN1C[C@H](C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)NC1=O ZINC001571268564 945600413 /nfs/dbraw/zinc/60/04/13/945600413.db2.gz HKTBMDXCQIGAPB-GHMZBOCLSA-N -1 1 386.420 -0.671 20 0 GBADMM CN1C[C@H](C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)NC1=O ZINC001571268564 945600407 /nfs/dbraw/zinc/60/04/07/945600407.db2.gz HKTBMDXCQIGAPB-GHMZBOCLSA-N -1 1 386.420 -0.671 20 0 GBADMM CN1C[C@H](C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)NC1=O ZINC001571268565 945600699 /nfs/dbraw/zinc/60/06/99/945600699.db2.gz HKTBMDXCQIGAPB-MNOVXSKESA-N -1 1 386.420 -0.671 20 0 GBADMM CN1C[C@H](C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)NC1=O ZINC001571268565 945600695 /nfs/dbraw/zinc/60/06/95/945600695.db2.gz HKTBMDXCQIGAPB-MNOVXSKESA-N -1 1 386.420 -0.671 20 0 GBADMM CN1C[C@@H](C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)NC1=O ZINC001571268566 945600867 /nfs/dbraw/zinc/60/08/67/945600867.db2.gz HKTBMDXCQIGAPB-QWRGUYRKSA-N -1 1 386.420 -0.671 20 0 GBADMM CN1C[C@@H](C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)NC1=O ZINC001571268566 945600860 /nfs/dbraw/zinc/60/08/60/945600860.db2.gz HKTBMDXCQIGAPB-QWRGUYRKSA-N -1 1 386.420 -0.671 20 0 GBADMM CN1C[C@@H](C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)NC1=O ZINC001571268567 945599947 /nfs/dbraw/zinc/59/99/47/945599947.db2.gz HKTBMDXCQIGAPB-WDEREUQCSA-N -1 1 386.420 -0.671 20 0 GBADMM CN1C[C@@H](C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)NC1=O ZINC001571268567 945599941 /nfs/dbraw/zinc/59/99/41/945599941.db2.gz HKTBMDXCQIGAPB-WDEREUQCSA-N -1 1 386.420 -0.671 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571268585 945599649 /nfs/dbraw/zinc/59/96/49/945599649.db2.gz IALDRMUHQYMHGA-MNOVXSKESA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571268585 945599636 /nfs/dbraw/zinc/59/96/36/945599636.db2.gz IALDRMUHQYMHGA-MNOVXSKESA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571268586 945600563 /nfs/dbraw/zinc/60/05/63/945600563.db2.gz IALDRMUHQYMHGA-QWRGUYRKSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571268586 945600558 /nfs/dbraw/zinc/60/05/58/945600558.db2.gz IALDRMUHQYMHGA-QWRGUYRKSA-N -1 1 386.420 -0.397 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)n1 ZINC001571268593 945600338 /nfs/dbraw/zinc/60/03/38/945600338.db2.gz IDPJXMZABKVLDT-JQWIXIFHSA-N -1 1 386.420 -0.479 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)n1 ZINC001571268593 945600328 /nfs/dbraw/zinc/60/03/28/945600328.db2.gz IDPJXMZABKVLDT-JQWIXIFHSA-N -1 1 386.420 -0.479 20 0 GBADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268711 945602513 /nfs/dbraw/zinc/60/25/13/945602513.db2.gz ILVZNBPXKHWVET-BYNQJWBRSA-N -1 1 386.416 -0.137 20 0 GBADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268711 945602509 /nfs/dbraw/zinc/60/25/09/945602509.db2.gz ILVZNBPXKHWVET-BYNQJWBRSA-N -1 1 386.416 -0.137 20 0 GBADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268712 945602500 /nfs/dbraw/zinc/60/25/00/945602500.db2.gz ILVZNBPXKHWVET-CZXHOFHRSA-N -1 1 386.416 -0.137 20 0 GBADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268712 945602497 /nfs/dbraw/zinc/60/24/97/945602497.db2.gz ILVZNBPXKHWVET-CZXHOFHRSA-N -1 1 386.416 -0.137 20 0 GBADMM O=C([C@@H]1COCCO1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571268740 945604201 /nfs/dbraw/zinc/60/42/01/945604201.db2.gz JIIKBSQQJJWQEK-DYEKYZERSA-N -1 1 386.416 -0.643 20 0 GBADMM O=C([C@@H]1COCCO1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571268740 945604198 /nfs/dbraw/zinc/60/41/98/945604198.db2.gz JIIKBSQQJJWQEK-DYEKYZERSA-N -1 1 386.416 -0.643 20 0 GBADMM O=C([C@H]1COCCO1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571268741 945604109 /nfs/dbraw/zinc/60/41/09/945604109.db2.gz JIIKBSQQJJWQEK-MBNYWOFBSA-N -1 1 386.416 -0.643 20 0 GBADMM O=C([C@H]1COCCO1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571268741 945604105 /nfs/dbraw/zinc/60/41/05/945604105.db2.gz JIIKBSQQJJWQEK-MBNYWOFBSA-N -1 1 386.416 -0.643 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001571268750 945603349 /nfs/dbraw/zinc/60/33/49/945603349.db2.gz JKKMRWQHCQFYST-CUOUOBHDSA-N -1 1 386.416 -0.811 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571268755 945604559 /nfs/dbraw/zinc/60/45/59/945604559.db2.gz JPQBDUKPZWUDFF-GHMZBOCLSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571268755 945604552 /nfs/dbraw/zinc/60/45/52/945604552.db2.gz JPQBDUKPZWUDFF-GHMZBOCLSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571268756 945603472 /nfs/dbraw/zinc/60/34/72/945603472.db2.gz JPQBDUKPZWUDFF-MNOVXSKESA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571268756 945603467 /nfs/dbraw/zinc/60/34/67/945603467.db2.gz JPQBDUKPZWUDFF-MNOVXSKESA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571268757 945603925 /nfs/dbraw/zinc/60/39/25/945603925.db2.gz JPQBDUKPZWUDFF-QWRGUYRKSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571268757 945603920 /nfs/dbraw/zinc/60/39/20/945603920.db2.gz JPQBDUKPZWUDFF-QWRGUYRKSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571268758 945603432 /nfs/dbraw/zinc/60/34/32/945603432.db2.gz JPQBDUKPZWUDFF-WDEREUQCSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571268758 945603425 /nfs/dbraw/zinc/60/34/25/945603425.db2.gz JPQBDUKPZWUDFF-WDEREUQCSA-N -1 1 386.420 -0.397 20 0 GBADMM CN1C[C@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)NC1=O ZINC001571268760 945603515 /nfs/dbraw/zinc/60/35/15/945603515.db2.gz JQAYCZXTTVVJDI-GHMZBOCLSA-N -1 1 386.420 -0.527 20 0 GBADMM CN1C[C@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)NC1=O ZINC001571268760 945603511 /nfs/dbraw/zinc/60/35/11/945603511.db2.gz JQAYCZXTTVVJDI-GHMZBOCLSA-N -1 1 386.420 -0.527 20 0 GBADMM CN1C[C@@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)NC1=O ZINC001571268761 945604397 /nfs/dbraw/zinc/60/43/97/945604397.db2.gz JQAYCZXTTVVJDI-MNOVXSKESA-N -1 1 386.420 -0.527 20 0 GBADMM CN1C[C@@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)NC1=O ZINC001571268761 945604392 /nfs/dbraw/zinc/60/43/92/945604392.db2.gz JQAYCZXTTVVJDI-MNOVXSKESA-N -1 1 386.420 -0.527 20 0 GBADMM CN1C[C@@H](C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)NC1=O ZINC001571268762 945603843 /nfs/dbraw/zinc/60/38/43/945603843.db2.gz JQAYCZXTTVVJDI-QWRGUYRKSA-N -1 1 386.420 -0.527 20 0 GBADMM CN1C[C@@H](C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)NC1=O ZINC001571268762 945603837 /nfs/dbraw/zinc/60/38/37/945603837.db2.gz JQAYCZXTTVVJDI-QWRGUYRKSA-N -1 1 386.420 -0.527 20 0 GBADMM CN1C[C@H](C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)NC1=O ZINC001571268763 945604060 /nfs/dbraw/zinc/60/40/60/945604060.db2.gz JQAYCZXTTVVJDI-WDEREUQCSA-N -1 1 386.420 -0.527 20 0 GBADMM CN1C[C@H](C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)NC1=O ZINC001571268763 945604056 /nfs/dbraw/zinc/60/40/56/945604056.db2.gz JQAYCZXTTVVJDI-WDEREUQCSA-N -1 1 386.420 -0.527 20 0 GBADMM NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571268766 945603764 /nfs/dbraw/zinc/60/37/64/945603764.db2.gz JRWIUELMUQPDAC-GHMZBOCLSA-N -1 1 386.420 -0.858 20 0 GBADMM NC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571268767 945604303 /nfs/dbraw/zinc/60/43/03/945604303.db2.gz JRWIUELMUQPDAC-MNOVXSKESA-N -1 1 386.420 -0.858 20 0 GBADMM NC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571268768 945603445 /nfs/dbraw/zinc/60/34/45/945603445.db2.gz JRWIUELMUQPDAC-QWRGUYRKSA-N -1 1 386.420 -0.858 20 0 GBADMM NC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571268769 945604034 /nfs/dbraw/zinc/60/40/34/945604034.db2.gz JRWIUELMUQPDAC-WDEREUQCSA-N -1 1 386.420 -0.858 20 0 GBADMM O=C(N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2)[C@H]1COCCO1 ZINC001571268786 945604494 /nfs/dbraw/zinc/60/44/94/945604494.db2.gz KJNQUHGYVFYOIL-JKDFXYPNSA-N -1 1 386.416 -0.453 20 0 GBADMM O=C(N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2)[C@@H]1COCCO1 ZINC001571268788 945604084 /nfs/dbraw/zinc/60/40/84/945604084.db2.gz KJNQUHGYVFYOIL-PRXAMGSTSA-N -1 1 386.416 -0.453 20 0 GBADMM O=C([C@H]1CNC(=O)N1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571268810 945605565 /nfs/dbraw/zinc/60/55/65/945605565.db2.gz KQQJALUSYSFTED-CMPLNLGQSA-N -1 1 386.420 -0.479 20 0 GBADMM O=C([C@H]1CNC(=O)N1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571268810 945605558 /nfs/dbraw/zinc/60/55/58/945605558.db2.gz KQQJALUSYSFTED-CMPLNLGQSA-N -1 1 386.420 -0.479 20 0 GBADMM O=C([C@@H]1CNC(=O)N1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571268812 945605921 /nfs/dbraw/zinc/60/59/21/945605921.db2.gz KQQJALUSYSFTED-JQWIXIFHSA-N -1 1 386.420 -0.479 20 0 GBADMM O=C([C@@H]1CNC(=O)N1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571268812 945605914 /nfs/dbraw/zinc/60/59/14/945605914.db2.gz KQQJALUSYSFTED-JQWIXIFHSA-N -1 1 386.420 -0.479 20 0 GBADMM O=C([C@@H]1CNC(=O)N1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571268814 945605713 /nfs/dbraw/zinc/60/57/13/945605713.db2.gz KQQJALUSYSFTED-PWSUYJOCSA-N -1 1 386.420 -0.479 20 0 GBADMM O=C([C@@H]1CNC(=O)N1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571268814 945605710 /nfs/dbraw/zinc/60/57/10/945605710.db2.gz KQQJALUSYSFTED-PWSUYJOCSA-N -1 1 386.420 -0.479 20 0 GBADMM O=C([C@H]1CNC(=O)N1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571268816 945605407 /nfs/dbraw/zinc/60/54/07/945605407.db2.gz KQQJALUSYSFTED-ZYHUDNBSSA-N -1 1 386.420 -0.479 20 0 GBADMM O=C([C@H]1CNC(=O)N1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571268816 945605401 /nfs/dbraw/zinc/60/54/01/945605401.db2.gz KQQJALUSYSFTED-ZYHUDNBSSA-N -1 1 386.420 -0.479 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268829 945606465 /nfs/dbraw/zinc/60/64/65/945606465.db2.gz KTJQXILDVXFMLS-JQWIXIFHSA-N -1 1 386.420 -0.715 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268829 945606459 /nfs/dbraw/zinc/60/64/59/945606459.db2.gz KTJQXILDVXFMLS-JQWIXIFHSA-N -1 1 386.420 -0.715 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cnn(CCF)c1 ZINC001571268837 945605546 /nfs/dbraw/zinc/60/55/46/945605546.db2.gz XUBPAIQGGWPIHO-CMPLNLGQSA-N -1 1 386.395 -0.040 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268838 945605777 /nfs/dbraw/zinc/60/57/77/945605777.db2.gz KTJQXILDVXFMLS-PWSUYJOCSA-N -1 1 386.420 -0.715 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268838 945605774 /nfs/dbraw/zinc/60/57/74/945605774.db2.gz KTJQXILDVXFMLS-PWSUYJOCSA-N -1 1 386.420 -0.715 20 0 GBADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cnn(CCF)c1 ZINC001571268839 945605737 /nfs/dbraw/zinc/60/57/37/945605737.db2.gz XUBPAIQGGWPIHO-JQWIXIFHSA-N -1 1 386.395 -0.040 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cnn(CCF)c1 ZINC001571268841 945606290 /nfs/dbraw/zinc/60/62/90/945606290.db2.gz XUBPAIQGGWPIHO-PWSUYJOCSA-N -1 1 386.395 -0.040 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cnn(CCF)c1 ZINC001571268843 945605635 /nfs/dbraw/zinc/60/56/35/945605635.db2.gz XUBPAIQGGWPIHO-ZYHUDNBSSA-N -1 1 386.395 -0.040 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571268844 945606116 /nfs/dbraw/zinc/60/61/16/945606116.db2.gz KVFCALNKEOMYSW-MNOVXSKESA-N -1 1 386.420 -0.845 20 0 GBADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001571268902 945607356 /nfs/dbraw/zinc/60/73/56/945607356.db2.gz YWNCWPTYHKOACH-UHFFFAOYSA-N -1 1 386.397 -0.625 20 0 GBADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001571268902 945607347 /nfs/dbraw/zinc/60/73/47/945607347.db2.gz YWNCWPTYHKOACH-UHFFFAOYSA-N -1 1 386.397 -0.625 20 0 GBADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001571268944 945607666 /nfs/dbraw/zinc/60/76/66/945607666.db2.gz LBFRKMDBJORFGL-LLVKDONJSA-N -1 1 386.420 -0.479 20 0 GBADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001571268944 945607665 /nfs/dbraw/zinc/60/76/65/945607665.db2.gz LBFRKMDBJORFGL-LLVKDONJSA-N -1 1 386.420 -0.479 20 0 GBADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001571268945 945608192 /nfs/dbraw/zinc/60/81/92/945608192.db2.gz LBFRKMDBJORFGL-NSHDSACASA-N -1 1 386.420 -0.479 20 0 GBADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001571268945 945608188 /nfs/dbraw/zinc/60/81/88/945608188.db2.gz LBFRKMDBJORFGL-NSHDSACASA-N -1 1 386.420 -0.479 20 0 GBADMM O=C(CO[C@@H]1CCOC1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571268965 945609496 /nfs/dbraw/zinc/60/94/96/945609496.db2.gz LQSTTXPPVVNIOE-FRRDWIJNSA-N -1 1 386.416 -0.643 20 0 GBADMM O=C(CO[C@H]1CCOC1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571268966 945610045 /nfs/dbraw/zinc/61/00/45/945610045.db2.gz LQSTTXPPVVNIOE-XQQFMLRXSA-N -1 1 386.416 -0.643 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268972 945609775 /nfs/dbraw/zinc/60/97/75/945609775.db2.gz LSCRYAKTIRHHHW-CMPLNLGQSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268972 945609767 /nfs/dbraw/zinc/60/97/67/945609767.db2.gz LSCRYAKTIRHHHW-CMPLNLGQSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268973 945610194 /nfs/dbraw/zinc/61/01/94/945610194.db2.gz LSCRYAKTIRHHHW-JQWIXIFHSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268973 945610192 /nfs/dbraw/zinc/61/01/92/945610192.db2.gz LSCRYAKTIRHHHW-JQWIXIFHSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268974 945609683 /nfs/dbraw/zinc/60/96/83/945609683.db2.gz LSCRYAKTIRHHHW-PWSUYJOCSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268974 945609681 /nfs/dbraw/zinc/60/96/81/945609681.db2.gz LSCRYAKTIRHHHW-PWSUYJOCSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268975 945609618 /nfs/dbraw/zinc/60/96/18/945609618.db2.gz LSCRYAKTIRHHHW-ZYHUDNBSSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268975 945609610 /nfs/dbraw/zinc/60/96/10/945609610.db2.gz LSCRYAKTIRHHHW-ZYHUDNBSSA-N -1 1 386.420 -0.397 20 0 GBADMM O=C(N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@]12C[C@H]1COC2 ZINC001571269000 945609268 /nfs/dbraw/zinc/60/92/68/945609268.db2.gz MGHJPXKSCNCLER-GOPGUHFVSA-N -1 1 386.416 -0.541 20 0 GBADMM O=C(N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@]12C[C@H]1COC2 ZINC001571269000 945609263 /nfs/dbraw/zinc/60/92/63/945609263.db2.gz MGHJPXKSCNCLER-GOPGUHFVSA-N -1 1 386.416 -0.541 20 0 GBADMM O=C(N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@]12C[C@H]1COC2 ZINC001571269001 945610147 /nfs/dbraw/zinc/61/01/47/945610147.db2.gz MGHJPXKSCNCLER-JECHBYEQSA-N -1 1 386.416 -0.541 20 0 GBADMM O=C(N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@]12C[C@H]1COC2 ZINC001571269001 945610145 /nfs/dbraw/zinc/61/01/45/945610145.db2.gz MGHJPXKSCNCLER-JECHBYEQSA-N -1 1 386.416 -0.541 20 0 GBADMM O=C([C@H]1CCCO1)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571269004 945609633 /nfs/dbraw/zinc/60/96/33/945609633.db2.gz MHRBXVGYZQYQFQ-PXAZEXFGSA-N -1 1 386.416 -0.357 20 0 GBADMM O=C([C@@H]1CCCO1)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571269005 945609566 /nfs/dbraw/zinc/60/95/66/945609566.db2.gz MHRBXVGYZQYQFQ-SJCJKPOMSA-N -1 1 386.416 -0.357 20 0 GBADMM O=C([C@H]1CCCO1)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571269006 945610389 /nfs/dbraw/zinc/61/03/89/945610389.db2.gz MHRBXVGYZQYQFQ-SJKOYZFVSA-N -1 1 386.416 -0.357 20 0 GBADMM O=C([C@@H]1CCCO1)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571269007 945610000 /nfs/dbraw/zinc/61/00/00/945610000.db2.gz MHRBXVGYZQYQFQ-YVEFUNNKSA-N -1 1 386.416 -0.357 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1CNC(=O)N1 ZINC001571269009 945609191 /nfs/dbraw/zinc/60/91/91/945609191.db2.gz MHYIWHFCQOISEK-CMPLNLGQSA-N -1 1 386.420 -0.797 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1CNC(=O)N1 ZINC001571269009 945609180 /nfs/dbraw/zinc/60/91/80/945609180.db2.gz MHYIWHFCQOISEK-CMPLNLGQSA-N -1 1 386.420 -0.797 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1CNC(=O)N1 ZINC001571269010 945610288 /nfs/dbraw/zinc/61/02/88/945610288.db2.gz MHYIWHFCQOISEK-JQWIXIFHSA-N -1 1 386.420 -0.797 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1CNC(=O)N1 ZINC001571269010 945610284 /nfs/dbraw/zinc/61/02/84/945610284.db2.gz MHYIWHFCQOISEK-JQWIXIFHSA-N -1 1 386.420 -0.797 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1CNC(=O)N1 ZINC001571269011 945609711 /nfs/dbraw/zinc/60/97/11/945609711.db2.gz MHYIWHFCQOISEK-PWSUYJOCSA-N -1 1 386.420 -0.797 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1CNC(=O)N1 ZINC001571269011 945609703 /nfs/dbraw/zinc/60/97/03/945609703.db2.gz MHYIWHFCQOISEK-PWSUYJOCSA-N -1 1 386.420 -0.797 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1CNC(=O)N1 ZINC001571269012 945609414 /nfs/dbraw/zinc/60/94/14/945609414.db2.gz MHYIWHFCQOISEK-ZYHUDNBSSA-N -1 1 386.420 -0.797 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1CNC(=O)N1 ZINC001571269012 945609408 /nfs/dbraw/zinc/60/94/08/945609408.db2.gz MHYIWHFCQOISEK-ZYHUDNBSSA-N -1 1 386.420 -0.797 20 0 GBADMM CC(=O)N1CCN(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001571269014 945609435 /nfs/dbraw/zinc/60/94/35/945609435.db2.gz MJANYTHEJQXRIL-UHFFFAOYSA-N -1 1 386.420 -0.937 20 0 GBADMM CC(=O)N1CCN(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001571269014 945609430 /nfs/dbraw/zinc/60/94/30/945609430.db2.gz MJANYTHEJQXRIL-UHFFFAOYSA-N -1 1 386.420 -0.937 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CNC(=O)N2)n1 ZINC001571269019 945609249 /nfs/dbraw/zinc/60/92/49/945609249.db2.gz MLGFOFPGXFCLDA-CKYFFXLPSA-N -1 1 386.420 -0.514 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CNC(=O)N2)n1 ZINC001571269019 945609239 /nfs/dbraw/zinc/60/92/39/945609239.db2.gz MLGFOFPGXFCLDA-CKYFFXLPSA-N -1 1 386.420 -0.514 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001571269020 945609395 /nfs/dbraw/zinc/60/93/95/945609395.db2.gz MLGFOFPGXFCLDA-FOGDFJRCSA-N -1 1 386.420 -0.514 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001571269020 945609385 /nfs/dbraw/zinc/60/93/85/945609385.db2.gz MLGFOFPGXFCLDA-FOGDFJRCSA-N -1 1 386.420 -0.514 20 0 GBADMM O=C(C1=CCOCC1)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571269028 945610265 /nfs/dbraw/zinc/61/02/65/945610265.db2.gz MRMQNDQJUZKQPA-KRWDZBQOSA-N -1 1 386.416 -0.231 20 0 GBADMM O=C(C1=CCOCC1)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571269028 945610261 /nfs/dbraw/zinc/61/02/61/945610261.db2.gz MRMQNDQJUZKQPA-KRWDZBQOSA-N -1 1 386.416 -0.231 20 0 GBADMM O=C(C1=CCOCC1)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571269029 945609691 /nfs/dbraw/zinc/60/96/91/945609691.db2.gz MRMQNDQJUZKQPA-QGZVFWFLSA-N -1 1 386.416 -0.231 20 0 GBADMM O=C(C1=CCOCC1)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571269029 945609687 /nfs/dbraw/zinc/60/96/87/945609687.db2.gz MRMQNDQJUZKQPA-QGZVFWFLSA-N -1 1 386.416 -0.231 20 0 GBADMM CCc1nc(NCC2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)cc(-c2nn[n-]n2)n1 ZINC001571269038 945610270 /nfs/dbraw/zinc/61/02/70/945610270.db2.gz MZWVXBIHCBUSEP-AMUVOQDHSA-N -1 1 386.420 -0.793 20 0 GBADMM CCc1nc(NCC2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)cc(-c2nnn[n-]2)n1 ZINC001571269038 945610268 /nfs/dbraw/zinc/61/02/68/945610268.db2.gz MZWVXBIHCBUSEP-AMUVOQDHSA-N -1 1 386.420 -0.793 20 0 GBADMM CCc1nc(NCC2CC(NC(=O)[C@H]3CNC(=O)N3)C2)cc(-c2nn[n-]n2)n1 ZINC001571269039 945610092 /nfs/dbraw/zinc/61/00/92/945610092.db2.gz MZWVXBIHCBUSEP-NWGYLPEXSA-N -1 1 386.420 -0.793 20 0 GBADMM CCc1nc(NCC2CC(NC(=O)[C@H]3CNC(=O)N3)C2)cc(-c2nnn[n-]2)n1 ZINC001571269039 945610087 /nfs/dbraw/zinc/61/00/87/945610087.db2.gz MZWVXBIHCBUSEP-NWGYLPEXSA-N -1 1 386.420 -0.793 20 0 GBADMM Cc1nn(CC(=O)N2CCN(C(=O)C3CC3)CC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001571269057 945612570 /nfs/dbraw/zinc/61/25/70/945612570.db2.gz NMWZITICABXNPA-UHFFFAOYSA-N -1 1 386.416 -0.879 20 0 GBADMM O=C([C@@H]1COCCO1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571269059 945611434 /nfs/dbraw/zinc/61/14/34/945611434.db2.gz NOUUKXVHUDSLCR-XQQFMLRXSA-N -1 1 386.416 -0.501 20 0 GBADMM O=C([C@H]1COCCO1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571269060 945611382 /nfs/dbraw/zinc/61/13/82/945611382.db2.gz NOUUKXVHUDSLCR-YNEHKIRRSA-N -1 1 386.416 -0.501 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571269079 945612438 /nfs/dbraw/zinc/61/24/38/945612438.db2.gz OFKZFSWABTYOSG-MNOVXSKESA-N -1 1 386.420 -0.975 20 0 GBADMM CN1C[C@@H](C(=O)NC2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)NC1=O ZINC001571269118 945611974 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O=C(CN1CCCNC1=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571269271 945615719 /nfs/dbraw/zinc/61/57/19/945615719.db2.gz UHAZPAUGSOWLBN-LLVKDONJSA-N -1 1 386.420 -0.525 20 0 GBADMM CN1C[C@H](C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)NC1=O ZINC001571269281 945617464 /nfs/dbraw/zinc/61/74/64/945617464.db2.gz UOLVZPKUXJNSKE-GHMZBOCLSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)NC1=O ZINC001571269282 945617331 /nfs/dbraw/zinc/61/73/31/945617331.db2.gz UOLVZPKUXJNSKE-MNOVXSKESA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)NC1=O ZINC001571269283 945617067 /nfs/dbraw/zinc/61/70/67/945617067.db2.gz UOLVZPKUXJNSKE-QWRGUYRKSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)NC1=O ZINC001571269284 945617039 /nfs/dbraw/zinc/61/70/39/945617039.db2.gz UOLVZPKUXJNSKE-WDEREUQCSA-N -1 1 386.420 -0.845 20 0 GBADMM O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571269315 945617966 /nfs/dbraw/zinc/61/79/66/945617966.db2.gz VCQCHKHFDJSMOV-PXAZEXFGSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571269315 945617959 /nfs/dbraw/zinc/61/79/59/945617959.db2.gz VCQCHKHFDJSMOV-PXAZEXFGSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571269316 945618013 /nfs/dbraw/zinc/61/80/13/945618013.db2.gz VCQCHKHFDJSMOV-SJCJKPOMSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571269316 945618006 /nfs/dbraw/zinc/61/80/06/945618006.db2.gz VCQCHKHFDJSMOV-SJCJKPOMSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571269317 945617092 /nfs/dbraw/zinc/61/70/92/945617092.db2.gz VCQCHKHFDJSMOV-SJKOYZFVSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571269317 945617089 /nfs/dbraw/zinc/61/70/89/945617089.db2.gz VCQCHKHFDJSMOV-SJKOYZFVSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@H]1CCOC1)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571269318 945616951 /nfs/dbraw/zinc/61/69/51/945616951.db2.gz VCQCHKHFDJSMOV-YVEFUNNKSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@H]1CCOC1)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571269318 945616947 /nfs/dbraw/zinc/61/69/47/945616947.db2.gz VCQCHKHFDJSMOV-YVEFUNNKSA-N -1 1 386.416 -0.499 20 0 GBADMM CN1C[C@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)NC1=O ZINC001571269325 945617815 /nfs/dbraw/zinc/61/78/15/945617815.db2.gz VLXHFFCXOFLULZ-CMPLNLGQSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)NC1=O ZINC001571269325 945617810 /nfs/dbraw/zinc/61/78/10/945617810.db2.gz VLXHFFCXOFLULZ-CMPLNLGQSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)NC1=O ZINC001571269326 945617931 /nfs/dbraw/zinc/61/79/31/945617931.db2.gz VLXHFFCXOFLULZ-JQWIXIFHSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)NC1=O ZINC001571269326 945617924 /nfs/dbraw/zinc/61/79/24/945617924.db2.gz VLXHFFCXOFLULZ-JQWIXIFHSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)NC1=O ZINC001571269327 945617790 /nfs/dbraw/zinc/61/77/90/945617790.db2.gz VLXHFFCXOFLULZ-PWSUYJOCSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)NC1=O ZINC001571269327 945617785 /nfs/dbraw/zinc/61/77/85/945617785.db2.gz VLXHFFCXOFLULZ-PWSUYJOCSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@H](C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)NC1=O ZINC001571269328 945617269 /nfs/dbraw/zinc/61/72/69/945617269.db2.gz VLXHFFCXOFLULZ-ZYHUDNBSSA-N -1 1 386.420 -0.845 20 0 GBADMM CN1C[C@H](C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)NC1=O ZINC001571269328 945617265 /nfs/dbraw/zinc/61/72/65/945617265.db2.gz VLXHFFCXOFLULZ-ZYHUDNBSSA-N -1 1 386.420 -0.845 20 0 GBADMM O=C(CN1CCCNC1=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269329 945617988 /nfs/dbraw/zinc/61/79/88/945617988.db2.gz VPGATVKSUNHZKY-LLVKDONJSA-N -1 1 386.420 -0.843 20 0 GBADMM O=C(CN1CCCNC1=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269329 945617979 /nfs/dbraw/zinc/61/79/79/945617979.db2.gz VPGATVKSUNHZKY-LLVKDONJSA-N -1 1 386.420 -0.843 20 0 GBADMM O=C(CN1CCCNC1=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269330 945617631 /nfs/dbraw/zinc/61/76/31/945617631.db2.gz VPGATVKSUNHZKY-NSHDSACASA-N -1 1 386.420 -0.843 20 0 GBADMM O=C(CN1CCCNC1=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269330 945617629 /nfs/dbraw/zinc/61/76/29/945617629.db2.gz VPGATVKSUNHZKY-NSHDSACASA-N -1 1 386.420 -0.843 20 0 GBADMM Cn1[n-]c(CN2CCCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nc1=O ZINC001571269336 945617946 /nfs/dbraw/zinc/61/79/46/945617946.db2.gz VRVWPZGORAMGJU-LLVKDONJSA-N -1 1 386.420 -0.599 20 0 GBADMM Cn1[n-]c(CN2CCCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nc1=O ZINC001571269337 945618090 /nfs/dbraw/zinc/61/80/90/945618090.db2.gz VRVWPZGORAMGJU-NSHDSACASA-N -1 1 386.420 -0.599 20 0 GBADMM CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269340 945618032 /nfs/dbraw/zinc/61/80/32/945618032.db2.gz VXAGJHVNGUMXCK-CMPLNLGQSA-N -1 1 386.420 -0.893 20 0 GBADMM CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269340 945618028 /nfs/dbraw/zinc/61/80/28/945618028.db2.gz VXAGJHVNGUMXCK-CMPLNLGQSA-N -1 1 386.420 -0.893 20 0 GBADMM CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269341 945617557 /nfs/dbraw/zinc/61/75/57/945617557.db2.gz VXAGJHVNGUMXCK-JQWIXIFHSA-N -1 1 386.420 -0.893 20 0 GBADMM CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269341 945617554 /nfs/dbraw/zinc/61/75/54/945617554.db2.gz VXAGJHVNGUMXCK-JQWIXIFHSA-N -1 1 386.420 -0.893 20 0 GBADMM CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269342 945617485 /nfs/dbraw/zinc/61/74/85/945617485.db2.gz VXAGJHVNGUMXCK-PWSUYJOCSA-N -1 1 386.420 -0.893 20 0 GBADMM CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269342 945617479 /nfs/dbraw/zinc/61/74/79/945617479.db2.gz VXAGJHVNGUMXCK-PWSUYJOCSA-N -1 1 386.420 -0.893 20 0 GBADMM CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269343 945616896 /nfs/dbraw/zinc/61/68/96/945616896.db2.gz VXAGJHVNGUMXCK-ZYHUDNBSSA-N -1 1 386.420 -0.893 20 0 GBADMM CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269343 945616890 /nfs/dbraw/zinc/61/68/90/945616890.db2.gz VXAGJHVNGUMXCK-ZYHUDNBSSA-N -1 1 386.420 -0.893 20 0 GBADMM O=C(C[C@@H]1COC(=O)C1)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269348 945617653 /nfs/dbraw/zinc/61/76/53/945617653.db2.gz WCNKMENITXHGIJ-NEPJUHHUSA-N -1 1 386.416 -0.318 20 0 GBADMM O=C(C[C@H]1COC(=O)C1)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269349 945617245 /nfs/dbraw/zinc/61/72/45/945617245.db2.gz WCNKMENITXHGIJ-NWDGAFQWSA-N -1 1 386.416 -0.318 20 0 GBADMM O=C(C[C@@H]1COC(=O)C1)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269350 945617758 /nfs/dbraw/zinc/61/77/58/945617758.db2.gz WCNKMENITXHGIJ-RYUDHWBXSA-N -1 1 386.416 -0.318 20 0 GBADMM O=C(C[C@H]1COC(=O)C1)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269351 945617497 /nfs/dbraw/zinc/61/74/97/945617497.db2.gz WCNKMENITXHGIJ-VXGBXAGGSA-N -1 1 386.416 -0.318 20 0 GBADMM NC(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269404 945619425 /nfs/dbraw/zinc/61/94/25/945619425.db2.gz XMBDFROJQVRHOS-DCAQKATOSA-N -1 1 386.420 -0.929 20 0 GBADMM NC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269405 945618963 /nfs/dbraw/zinc/61/89/63/945618963.db2.gz XMBDFROJQVRHOS-GMTAPVOTSA-N -1 1 386.420 -0.929 20 0 GBADMM CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571269406 945618851 /nfs/dbraw/zinc/61/88/51/945618851.db2.gz XMKYLVWWDRQVDA-JQWIXIFHSA-N -1 1 386.420 -0.763 20 0 GBADMM CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571269406 945618842 /nfs/dbraw/zinc/61/88/42/945618842.db2.gz XMKYLVWWDRQVDA-JQWIXIFHSA-N -1 1 386.420 -0.763 20 0 GBADMM CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571269407 945619104 /nfs/dbraw/zinc/61/91/04/945619104.db2.gz XMKYLVWWDRQVDA-PWSUYJOCSA-N -1 1 386.420 -0.763 20 0 GBADMM CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571269407 945619100 /nfs/dbraw/zinc/61/91/00/945619100.db2.gz XMKYLVWWDRQVDA-PWSUYJOCSA-N -1 1 386.420 -0.763 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269412 945619681 /nfs/dbraw/zinc/61/96/81/945619681.db2.gz XRQVMUPUZOCNPH-JQWIXIFHSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269412 945619674 /nfs/dbraw/zinc/61/96/74/945619674.db2.gz XRQVMUPUZOCNPH-JQWIXIFHSA-N -1 1 386.420 -0.397 20 0 GBADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@H]1COCCO1 ZINC001571269415 945619794 /nfs/dbraw/zinc/61/97/94/945619794.db2.gz XVKCKOPVRRGYKU-PSEXLTFBSA-N -1 1 386.416 -0.312 20 0 GBADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@@H]1COCCO1 ZINC001571269416 945619470 /nfs/dbraw/zinc/61/94/70/945619470.db2.gz XVKCKOPVRRGYKU-WVMKXHBISA-N -1 1 386.416 -0.312 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001571269417 945619834 /nfs/dbraw/zinc/61/98/34/945619834.db2.gz XVVIQQMESOQAHT-GFCCVEGCSA-N -1 1 386.420 -0.926 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001571269417 945619832 /nfs/dbraw/zinc/61/98/32/945619832.db2.gz XVVIQQMESOQAHT-GFCCVEGCSA-N -1 1 386.420 -0.926 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001571269418 945619460 /nfs/dbraw/zinc/61/94/60/945619460.db2.gz XVVIQQMESOQAHT-LBPRGKRZSA-N -1 1 386.420 -0.926 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001571269418 945619455 /nfs/dbraw/zinc/61/94/55/945619455.db2.gz XVVIQQMESOQAHT-LBPRGKRZSA-N -1 1 386.420 -0.926 20 0 GBADMM O=C([C@H]1COCCO1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571269431 945619753 /nfs/dbraw/zinc/61/97/53/945619753.db2.gz YFMNFAIKXHGBSJ-CXAGYDPISA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@H]1COCCO1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571269431 945619750 /nfs/dbraw/zinc/61/97/50/945619750.db2.gz YFMNFAIKXHGBSJ-CXAGYDPISA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@H]1COCCO1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571269432 945619562 /nfs/dbraw/zinc/61/95/62/945619562.db2.gz YFMNFAIKXHGBSJ-DYVFJYSZSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@H]1COCCO1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571269432 945619558 /nfs/dbraw/zinc/61/95/58/945619558.db2.gz YFMNFAIKXHGBSJ-DYVFJYSZSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@@H]1COCCO1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571269433 945618744 /nfs/dbraw/zinc/61/87/44/945618744.db2.gz YFMNFAIKXHGBSJ-GUYCJALGSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@@H]1COCCO1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571269433 945618737 /nfs/dbraw/zinc/61/87/37/945618737.db2.gz YFMNFAIKXHGBSJ-GUYCJALGSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@@H]1COCCO1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571269434 945619860 /nfs/dbraw/zinc/61/98/60/945619860.db2.gz YFMNFAIKXHGBSJ-SUMWQHHRSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C([C@@H]1COCCO1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571269434 945619857 /nfs/dbraw/zinc/61/98/57/945619857.db2.gz YFMNFAIKXHGBSJ-SUMWQHHRSA-N -1 1 386.416 -0.499 20 0 GBADMM O=C(CN1CCCNC1=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571269443 945621605 /nfs/dbraw/zinc/62/16/05/945621605.db2.gz YMKDKHIIGQNSLJ-LLVKDONJSA-N -1 1 386.420 -0.525 20 0 GBADMM O=C(CN1CCCNC1=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571269443 945621598 /nfs/dbraw/zinc/62/15/98/945621598.db2.gz YMKDKHIIGQNSLJ-LLVKDONJSA-N -1 1 386.420 -0.525 20 0 GBADMM O=C(CN1CCCNC1=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571269444 945621959 /nfs/dbraw/zinc/62/19/59/945621959.db2.gz YMKDKHIIGQNSLJ-NSHDSACASA-N -1 1 386.420 -0.525 20 0 GBADMM O=C(CN1CCCNC1=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571269444 945621956 /nfs/dbraw/zinc/62/19/56/945621956.db2.gz YMKDKHIIGQNSLJ-NSHDSACASA-N -1 1 386.420 -0.525 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)CN3CCCNC3=O)CC2)n1 ZINC001571269455 945621673 /nfs/dbraw/zinc/62/16/73/945621673.db2.gz YTPITQUBLYHBSE-UHFFFAOYSA-N -1 1 386.420 -0.971 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)CN3CCCNC3=O)CC2)n1 ZINC001571269455 945621668 /nfs/dbraw/zinc/62/16/68/945621668.db2.gz YTPITQUBLYHBSE-UHFFFAOYSA-N -1 1 386.420 -0.971 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571269463 945621496 /nfs/dbraw/zinc/62/14/96/945621496.db2.gz YWSOQRWXGDJUGH-QWRGUYRKSA-N -1 1 386.420 -0.715 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571269463 945621484 /nfs/dbraw/zinc/62/14/84/945621484.db2.gz YWSOQRWXGDJUGH-QWRGUYRKSA-N -1 1 386.420 -0.715 20 0 GBADMM O=C([C@H]1COCCO1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571269466 945620664 /nfs/dbraw/zinc/62/06/64/945620664.db2.gz ZEEMCLZCGYFFHY-MBNYWOFBSA-N -1 1 386.416 -0.358 20 0 GBADMM O=C([C@H]1COCCO1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571269466 945620660 /nfs/dbraw/zinc/62/06/60/945620660.db2.gz ZEEMCLZCGYFFHY-MBNYWOFBSA-N -1 1 386.416 -0.358 20 0 GBADMM O=C([C@@H]1COCCO1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571269467 945621789 /nfs/dbraw/zinc/62/17/89/945621789.db2.gz ZEEMCLZCGYFFHY-SCRDCRAPSA-N -1 1 386.416 -0.358 20 0 GBADMM O=C([C@@H]1COCCO1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571269467 945621784 /nfs/dbraw/zinc/62/17/84/945621784.db2.gz ZEEMCLZCGYFFHY-SCRDCRAPSA-N -1 1 386.416 -0.358 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571269470 945620758 /nfs/dbraw/zinc/62/07/58/945620758.db2.gz ZJKYRSILZNESFH-LBPRGKRZSA-N -1 1 386.420 -0.397 20 0 GBADMM NC(=O)N1CCC[C@H]1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571269470 945620753 /nfs/dbraw/zinc/62/07/53/945620753.db2.gz ZJKYRSILZNESFH-LBPRGKRZSA-N -1 1 386.420 -0.397 20 0 GBADMM CN(CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571269471 945621301 /nfs/dbraw/zinc/62/13/01/945621301.db2.gz ZJYGAGBUVJPPFA-LLVKDONJSA-N -1 1 386.420 -0.987 20 0 GBADMM CN(CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571269472 945621908 /nfs/dbraw/zinc/62/19/08/945621908.db2.gz ZJYGAGBUVJPPFA-NSHDSACASA-N -1 1 386.420 -0.987 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001571269503 945621290 /nfs/dbraw/zinc/62/12/90/945621290.db2.gz ZXBHPNYBLKMRNJ-ZJQBRPOHSA-N -1 1 386.416 -0.597 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001571269503 945621284 /nfs/dbraw/zinc/62/12/84/945621284.db2.gz ZXBHPNYBLKMRNJ-ZJQBRPOHSA-N -1 1 386.416 -0.597 20 0 GBADMM Cc1nsc(N2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001571270072 945631881 /nfs/dbraw/zinc/63/18/81/945631881.db2.gz MIQBYKMASIDBFF-PHIMTYICSA-N -1 1 386.445 -0.182 20 0 GBADMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)c4ncn(C)n4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571270393 945636861 /nfs/dbraw/zinc/63/68/61/945636861.db2.gz SDQGFLIMTOPMQT-OWUUHHOZSA-N -1 1 386.445 -0.128 20 0 GBADMM C[C@@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCN1S(C)(=O)=O ZINC001571272955 945676238 /nfs/dbraw/zinc/67/62/38/945676238.db2.gz LOQUEWROIBQZFD-MRVPVSSYSA-N -1 1 386.463 -0.502 20 0 GBADMM C[C@@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCN1S(C)(=O)=O ZINC001571272955 945676233 /nfs/dbraw/zinc/67/62/33/945676233.db2.gz LOQUEWROIBQZFD-MRVPVSSYSA-N -1 1 386.463 -0.502 20 0 GBADMM CS(=O)(=O)N1CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001571273135 945679347 /nfs/dbraw/zinc/67/93/47/945679347.db2.gz PZRHSENPYPBLJD-UHFFFAOYSA-N -1 1 386.463 -0.500 20 0 GBADMM CS(=O)(=O)N1CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001571273135 945679342 /nfs/dbraw/zinc/67/93/42/945679342.db2.gz PZRHSENPYPBLJD-UHFFFAOYSA-N -1 1 386.463 -0.500 20 0 GBADMM O=C(Cn1cc(Cl)cn1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571274098 945691925 /nfs/dbraw/zinc/69/19/25/945691925.db2.gz AXEJRVRZZXNPNR-QWRGUYRKSA-N -1 1 386.807 -0.004 20 0 GBADMM O=C(Cn1cc(Cl)cn1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571274098 945691923 /nfs/dbraw/zinc/69/19/23/945691923.db2.gz AXEJRVRZZXNPNR-QWRGUYRKSA-N -1 1 386.807 -0.004 20 0 GBADMM O=C(Cn1cc(Cl)cn1)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571274105 945692737 /nfs/dbraw/zinc/69/27/37/945692737.db2.gz BCKTUNLNCGQUGS-IAZYJMLFSA-N -1 1 386.807 -0.242 20 0 GBADMM O=C(Cn1cc(Cl)cn1)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571274105 945692730 /nfs/dbraw/zinc/69/27/30/945692730.db2.gz BCKTUNLNCGQUGS-IAZYJMLFSA-N -1 1 386.807 -0.242 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)c(Cl)n1 ZINC001571274421 945697665 /nfs/dbraw/zinc/69/76/65/945697665.db2.gz GXRXZLIZMQHDKW-MBTKJCJQSA-N -1 1 386.807 -0.092 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)c(Cl)n1 ZINC001571274421 945697658 /nfs/dbraw/zinc/69/76/58/945697658.db2.gz GXRXZLIZMQHDKW-MBTKJCJQSA-N -1 1 386.807 -0.092 20 0 GBADMM COc1nc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)co1 ZINC001571274568 945697167 /nfs/dbraw/zinc/69/71/67/945697167.db2.gz HEVCGCMHXVJZGX-PSASIEDQSA-N -1 1 387.360 -0.977 20 0 GBADMM COc1nc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)co1 ZINC001571274569 945697089 /nfs/dbraw/zinc/69/70/89/945697089.db2.gz HEVCGCMHXVJZGX-SCZZXKLOSA-N -1 1 387.360 -0.977 20 0 GBADMM COc1nc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)co1 ZINC001571274570 945696637 /nfs/dbraw/zinc/69/66/37/945696637.db2.gz HEVCGCMHXVJZGX-WCBMZHEXSA-N -1 1 387.360 -0.977 20 0 GBADMM COc1nc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)co1 ZINC001571274571 945697599 /nfs/dbraw/zinc/69/75/99/945697599.db2.gz HEVCGCMHXVJZGX-WPRPVWTQSA-N -1 1 387.360 -0.977 20 0 GBADMM CCOc1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)co1 ZINC001571274598 945698577 /nfs/dbraw/zinc/69/85/77/945698577.db2.gz INYYKVHKXXIVPL-KOLCDFICSA-N -1 1 387.360 -0.977 20 0 GBADMM CCOc1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)co1 ZINC001571274598 945698568 /nfs/dbraw/zinc/69/85/68/945698568.db2.gz INYYKVHKXXIVPL-KOLCDFICSA-N -1 1 387.360 -0.977 20 0 GBADMM CCOc1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)co1 ZINC001571274599 945699113 /nfs/dbraw/zinc/69/91/13/945699113.db2.gz INYYKVHKXXIVPL-MWLCHTKSSA-N -1 1 387.360 -0.977 20 0 GBADMM CCOc1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)co1 ZINC001571274599 945699110 /nfs/dbraw/zinc/69/91/10/945699110.db2.gz INYYKVHKXXIVPL-MWLCHTKSSA-N -1 1 387.360 -0.977 20 0 GBADMM CCOc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)on1 ZINC001571274695 945698380 /nfs/dbraw/zinc/69/83/80/945698380.db2.gz KCTXUJXVDPQMIE-ZJUUUORDSA-N -1 1 387.360 -0.977 20 0 GBADMM CCOc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)on1 ZINC001571274695 945698376 /nfs/dbraw/zinc/69/83/76/945698376.db2.gz KCTXUJXVDPQMIE-ZJUUUORDSA-N -1 1 387.360 -0.977 20 0 GBADMM O=C(NCc1ncccc1F)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571274766 945699488 /nfs/dbraw/zinc/69/94/88/945699488.db2.gz KPJQLBCARWBUMD-UHFFFAOYSA-N -1 1 387.335 -0.570 20 0 GBADMM COCc1cc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)ccc1OC ZINC001571274800 945700497 /nfs/dbraw/zinc/70/04/97/945700497.db2.gz LKJUTMKMSINFIL-UHFFFAOYSA-N -1 1 387.356 -0.077 20 0 GBADMM COc1cc(CO)ccc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571274961 945703576 /nfs/dbraw/zinc/70/35/76/945703576.db2.gz NOLZAIMQZKRPDE-UHFFFAOYSA-N -1 1 387.356 -0.940 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2OC)on1 ZINC001571275133 945703152 /nfs/dbraw/zinc/70/31/52/945703152.db2.gz PYTGVBUHWYDJMQ-PSASIEDQSA-N -1 1 387.360 -0.713 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2OC)on1 ZINC001571275133 945703145 /nfs/dbraw/zinc/70/31/45/945703145.db2.gz PYTGVBUHWYDJMQ-PSASIEDQSA-N -1 1 387.360 -0.713 20 0 GBADMM Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1Cl ZINC001571275154 945705183 /nfs/dbraw/zinc/70/51/83/945705183.db2.gz QZCDOKOAYCQTES-GDGBQDQQSA-N -1 1 386.807 -0.092 20 0 GBADMM Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1Cl ZINC001571275154 945705180 /nfs/dbraw/zinc/70/51/80/945705180.db2.gz QZCDOKOAYCQTES-GDGBQDQQSA-N -1 1 386.807 -0.092 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCOC[C@@H]1c1ccco1 ZINC001571275161 945705313 /nfs/dbraw/zinc/70/53/13/945705313.db2.gz RIDAQZBEENGYHJ-LLVKDONJSA-N -1 1 387.356 -0.288 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCOC[C@H]1c1ccco1 ZINC001571275273 945704630 /nfs/dbraw/zinc/70/46/30/945704630.db2.gz RIDAQZBEENGYHJ-NSHDSACASA-N -1 1 387.356 -0.288 20 0 GBADMM Cn1cc(Cl)c(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001571275503 945706564 /nfs/dbraw/zinc/70/65/64/945706564.db2.gz VDSPIVYZCHHQIW-VROVMSAKSA-N -1 1 386.807 -0.092 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2OC)on1 ZINC001571275531 945707088 /nfs/dbraw/zinc/70/70/88/945707088.db2.gz VWGBXZDETDTLOI-MWLCHTKSSA-N -1 1 387.360 -0.713 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2OC)on1 ZINC001571275531 945707084 /nfs/dbraw/zinc/70/70/84/945707084.db2.gz VWGBXZDETDTLOI-MWLCHTKSSA-N -1 1 387.360 -0.713 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC(c2ncon2)CC1 ZINC001571275551 945708500 /nfs/dbraw/zinc/70/85/00/945708500.db2.gz WLQRPKJEUGIVAI-UHFFFAOYSA-N -1 1 387.360 -0.692 20 0 GBADMM COc1cc(CCO)ccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571275555 945708678 /nfs/dbraw/zinc/70/86/78/945708678.db2.gz WMTWTZHPNROSGN-UHFFFAOYSA-N -1 1 387.356 -0.689 20 0 GBADMM COc1ccc(OC)c(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001571275616 945711273 /nfs/dbraw/zinc/71/12/73/945711273.db2.gz YVCFNZFKTPAYFY-UHFFFAOYSA-N -1 1 387.356 -0.537 20 0 GBADMM COc1ccc(OCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571275631 945711896 /nfs/dbraw/zinc/71/18/96/945711896.db2.gz ZPIOMGJSYKRDMN-UHFFFAOYSA-N -1 1 387.356 -0.667 20 0 GBADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(=O)NCC12COC2 ZINC001571276034 945723661 /nfs/dbraw/zinc/72/36/61/945723661.db2.gz CRXOQMLFZQSCBU-UHFFFAOYSA-N -1 1 387.400 -0.756 20 0 GBADMM CO[C@@]1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCS(=O)(=O)C1 ZINC001571276141 945725655 /nfs/dbraw/zinc/72/56/55/945725655.db2.gz HYHHSYCIJNMJHT-CYBMUJFWSA-N -1 1 386.459 -0.069 20 0 GBADMM CO[C@]1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCS(=O)(=O)C1 ZINC001571276142 945724524 /nfs/dbraw/zinc/72/45/24/945724524.db2.gz HYHHSYCIJNMJHT-ZDUSSCGKSA-N -1 1 386.459 -0.069 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC001571276236 945728029 /nfs/dbraw/zinc/72/80/29/945728029.db2.gz FXXROARNQNFIMO-CMPLNLGQSA-N -1 1 387.400 -0.121 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC001571276237 945728317 /nfs/dbraw/zinc/72/83/17/945728317.db2.gz FXXROARNQNFIMO-JQWIXIFHSA-N -1 1 387.400 -0.121 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC001571276238 945727147 /nfs/dbraw/zinc/72/71/47/945727147.db2.gz FXXROARNQNFIMO-PWSUYJOCSA-N -1 1 387.400 -0.121 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC001571276239 945727644 /nfs/dbraw/zinc/72/76/44/945727644.db2.gz FXXROARNQNFIMO-ZYHUDNBSSA-N -1 1 387.400 -0.121 20 0 GBADMM CCn1nc(C)c(CN(C)C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1C ZINC001571276281 945730819 /nfs/dbraw/zinc/73/08/19/945730819.db2.gz GVRUTCRALDQDAQ-UHFFFAOYSA-N -1 1 387.404 -0.379 20 0 GBADMM CN(C[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571276295 945730592 /nfs/dbraw/zinc/73/05/92/945730592.db2.gz GZYGOKYCZOQNEQ-GHMZBOCLSA-N -1 1 387.404 -0.560 20 0 GBADMM CN(C[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571276296 945729521 /nfs/dbraw/zinc/72/95/21/945729521.db2.gz GZYGOKYCZOQNEQ-MNOVXSKESA-N -1 1 387.404 -0.560 20 0 GBADMM CN(C[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571276297 945729856 /nfs/dbraw/zinc/72/98/56/945729856.db2.gz GZYGOKYCZOQNEQ-QWRGUYRKSA-N -1 1 387.404 -0.560 20 0 GBADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571276298 945730724 /nfs/dbraw/zinc/73/07/24/945730724.db2.gz GZYGOKYCZOQNEQ-WDEREUQCSA-N -1 1 387.404 -0.560 20 0 GBADMM COc1c(C)cnc(Cn2c(=O)c(-c3nn[n-]n3)c(C)n(CCO)c2=O)c1C ZINC001571276707 945736994 /nfs/dbraw/zinc/73/69/94/945736994.db2.gz JOXUOMQUCRWHFC-UHFFFAOYSA-N -1 1 387.400 -0.440 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001571276742 945736137 /nfs/dbraw/zinc/73/61/37/945736137.db2.gz KZYDBLUDKRKCLL-ADEWGFFLSA-N -1 1 387.404 -0.908 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001571276742 945736132 /nfs/dbraw/zinc/73/61/32/945736132.db2.gz KZYDBLUDKRKCLL-ADEWGFFLSA-N -1 1 387.404 -0.908 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001571276743 945736200 /nfs/dbraw/zinc/73/62/00/945736200.db2.gz KZYDBLUDKRKCLL-ZMLRMANQSA-N -1 1 387.404 -0.908 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001571276743 945736192 /nfs/dbraw/zinc/73/61/92/945736192.db2.gz KZYDBLUDKRKCLL-ZMLRMANQSA-N -1 1 387.404 -0.908 20 0 GBADMM CCOc1cccc(CN(CCO)c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c1 ZINC001571276953 945736366 /nfs/dbraw/zinc/73/63/66/945736366.db2.gz LGYYZDXFJMGXAD-UHFFFAOYSA-N -1 1 387.400 -0.349 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001571276960 945737207 /nfs/dbraw/zinc/73/72/07/945737207.db2.gz LNYCRZMIGOKBLZ-BIMULSAOSA-N -1 1 387.400 -0.407 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC001571276961 945737345 /nfs/dbraw/zinc/73/73/45/945737345.db2.gz LNYCRZMIGOKBLZ-OASPWFOLSA-N -1 1 387.400 -0.407 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC001571276962 945736259 /nfs/dbraw/zinc/73/62/59/945736259.db2.gz LNYCRZMIGOKBLZ-WQAKAFBOSA-N -1 1 387.400 -0.407 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC001571276963 945736426 /nfs/dbraw/zinc/73/64/26/945736426.db2.gz LNYCRZMIGOKBLZ-ZWKOPEQDSA-N -1 1 387.400 -0.407 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001571277014 945738594 /nfs/dbraw/zinc/73/85/94/945738594.db2.gz MUZZHOSPBXHRJZ-ADEWGFFLSA-N -1 1 387.404 -0.989 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001571277014 945738582 /nfs/dbraw/zinc/73/85/82/945738582.db2.gz MUZZHOSPBXHRJZ-ADEWGFFLSA-N -1 1 387.404 -0.989 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001571277015 945738351 /nfs/dbraw/zinc/73/83/51/945738351.db2.gz MUZZHOSPBXHRJZ-ZMLRMANQSA-N -1 1 387.404 -0.989 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001571277015 945738337 /nfs/dbraw/zinc/73/83/37/945738337.db2.gz MUZZHOSPBXHRJZ-ZMLRMANQSA-N -1 1 387.404 -0.989 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001571277029 945739241 /nfs/dbraw/zinc/73/92/41/945739241.db2.gz NGLRJGYMDJZLIM-CMPLNLGQSA-N -1 1 387.404 -0.451 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001571277029 945739232 /nfs/dbraw/zinc/73/92/32/945739232.db2.gz NGLRJGYMDJZLIM-CMPLNLGQSA-N -1 1 387.404 -0.451 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001571277030 945738690 /nfs/dbraw/zinc/73/86/90/945738690.db2.gz NGLRJGYMDJZLIM-JQWIXIFHSA-N -1 1 387.404 -0.451 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001571277030 945738680 /nfs/dbraw/zinc/73/86/80/945738680.db2.gz NGLRJGYMDJZLIM-JQWIXIFHSA-N -1 1 387.404 -0.451 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001571277031 945739402 /nfs/dbraw/zinc/73/94/02/945739402.db2.gz NGLRJGYMDJZLIM-PWSUYJOCSA-N -1 1 387.404 -0.451 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001571277031 945739398 /nfs/dbraw/zinc/73/93/98/945739398.db2.gz NGLRJGYMDJZLIM-PWSUYJOCSA-N -1 1 387.404 -0.451 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001571277032 945739416 /nfs/dbraw/zinc/73/94/16/945739416.db2.gz NGLRJGYMDJZLIM-ZYHUDNBSSA-N -1 1 387.404 -0.451 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001571277032 945739410 /nfs/dbraw/zinc/73/94/10/945739410.db2.gz NGLRJGYMDJZLIM-ZYHUDNBSSA-N -1 1 387.404 -0.451 20 0 GBADMM O=C([C@H]1COC(=O)N1)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571277302 945740230 /nfs/dbraw/zinc/74/02/30/945740230.db2.gz OTVUFQOEPUHVOC-CMPLNLGQSA-N -1 1 387.404 -0.052 20 0 GBADMM O=C([C@H]1COC(=O)N1)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571277302 945740221 /nfs/dbraw/zinc/74/02/21/945740221.db2.gz OTVUFQOEPUHVOC-CMPLNLGQSA-N -1 1 387.404 -0.052 20 0 GBADMM O=C([C@@H]1COC(=O)N1)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571277308 945741471 /nfs/dbraw/zinc/74/14/71/945741471.db2.gz OTVUFQOEPUHVOC-JQWIXIFHSA-N -1 1 387.404 -0.052 20 0 GBADMM O=C([C@@H]1COC(=O)N1)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571277308 945741466 /nfs/dbraw/zinc/74/14/66/945741466.db2.gz OTVUFQOEPUHVOC-JQWIXIFHSA-N -1 1 387.404 -0.052 20 0 GBADMM O=C([C@@H]1COC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571277310 945740058 /nfs/dbraw/zinc/74/00/58/945740058.db2.gz OTVUFQOEPUHVOC-PWSUYJOCSA-N -1 1 387.404 -0.052 20 0 GBADMM O=C([C@@H]1COC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571277310 945740053 /nfs/dbraw/zinc/74/00/53/945740053.db2.gz OTVUFQOEPUHVOC-PWSUYJOCSA-N -1 1 387.404 -0.052 20 0 GBADMM O=C([C@H]1COC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571277311 945740917 /nfs/dbraw/zinc/74/09/17/945740917.db2.gz OTVUFQOEPUHVOC-ZYHUDNBSSA-N -1 1 387.404 -0.052 20 0 GBADMM O=C([C@H]1COC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571277311 945740910 /nfs/dbraw/zinc/74/09/10/945740910.db2.gz OTVUFQOEPUHVOC-ZYHUDNBSSA-N -1 1 387.404 -0.052 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)O1 ZINC001571277440 945742530 /nfs/dbraw/zinc/74/25/30/945742530.db2.gz QSKVUWUYJXBTTD-NWDGAFQWSA-N -1 1 387.404 -0.908 20 0 GBADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)O1 ZINC001571277440 945742521 /nfs/dbraw/zinc/74/25/21/945742521.db2.gz QSKVUWUYJXBTTD-NWDGAFQWSA-N -1 1 387.404 -0.908 20 0 GBADMM CN(CC1CCN(C(=O)[C@H]2COC(=O)N2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571277765 945746140 /nfs/dbraw/zinc/74/61/40/945746140.db2.gz SRGIOOILCNZRFS-LLVKDONJSA-N -1 1 387.404 -0.560 20 0 GBADMM CN(CC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571277767 945747625 /nfs/dbraw/zinc/74/76/25/945747625.db2.gz SRGIOOILCNZRFS-NSHDSACASA-N -1 1 387.404 -0.560 20 0 GBADMM C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571278037 945747222 /nfs/dbraw/zinc/74/72/22/945747222.db2.gz UYJLTJDPMVKOCG-GXSJLCMTSA-N -1 1 387.404 -0.514 20 0 GBADMM C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571278037 945747214 /nfs/dbraw/zinc/74/72/14/945747214.db2.gz UYJLTJDPMVKOCG-GXSJLCMTSA-N -1 1 387.404 -0.514 20 0 GBADMM C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571278038 945746219 /nfs/dbraw/zinc/74/62/19/945746219.db2.gz UYJLTJDPMVKOCG-ONGXEEELSA-N -1 1 387.404 -0.514 20 0 GBADMM C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571278038 945746214 /nfs/dbraw/zinc/74/62/14/945746214.db2.gz UYJLTJDPMVKOCG-ONGXEEELSA-N -1 1 387.404 -0.514 20 0 GBADMM CCCn1nc(C)c(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1C ZINC001571278040 945747374 /nfs/dbraw/zinc/74/73/74/945747374.db2.gz UZLRGZSFJSPTSP-UHFFFAOYSA-N -1 1 387.404 -0.218 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)[C@H]1COC(=O)N1 ZINC001571278049 945746292 /nfs/dbraw/zinc/74/62/92/945746292.db2.gz VDJKDXRNPMCSNQ-CMPLNLGQSA-N -1 1 387.404 -0.370 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)[C@H]1COC(=O)N1 ZINC001571278049 945746287 /nfs/dbraw/zinc/74/62/87/945746287.db2.gz VDJKDXRNPMCSNQ-CMPLNLGQSA-N -1 1 387.404 -0.370 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)[C@@H]1COC(=O)N1 ZINC001571278052 945747673 /nfs/dbraw/zinc/74/76/73/945747673.db2.gz VDJKDXRNPMCSNQ-JQWIXIFHSA-N -1 1 387.404 -0.370 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)[C@@H]1COC(=O)N1 ZINC001571278052 945747665 /nfs/dbraw/zinc/74/76/65/945747665.db2.gz VDJKDXRNPMCSNQ-JQWIXIFHSA-N -1 1 387.404 -0.370 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)[C@@H]1COC(=O)N1 ZINC001571278054 945747337 /nfs/dbraw/zinc/74/73/37/945747337.db2.gz VDJKDXRNPMCSNQ-PWSUYJOCSA-N -1 1 387.404 -0.370 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)[C@@H]1COC(=O)N1 ZINC001571278054 945747329 /nfs/dbraw/zinc/74/73/29/945747329.db2.gz VDJKDXRNPMCSNQ-PWSUYJOCSA-N -1 1 387.404 -0.370 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)[C@H]1COC(=O)N1 ZINC001571278056 945747245 /nfs/dbraw/zinc/74/72/45/945747245.db2.gz VDJKDXRNPMCSNQ-ZYHUDNBSSA-N -1 1 387.404 -0.370 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)[C@H]1COC(=O)N1 ZINC001571278056 945747239 /nfs/dbraw/zinc/74/72/39/945747239.db2.gz VDJKDXRNPMCSNQ-ZYHUDNBSSA-N -1 1 387.404 -0.370 20 0 GBADMM C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571278125 945749556 /nfs/dbraw/zinc/74/95/56/945749556.db2.gz WJHVFRWZNFGFAG-BXKDBHETSA-N -1 1 387.404 -0.514 20 0 GBADMM C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571278125 945749546 /nfs/dbraw/zinc/74/95/46/945749546.db2.gz WJHVFRWZNFGFAG-BXKDBHETSA-N -1 1 387.404 -0.514 20 0 GBADMM C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571278126 945748874 /nfs/dbraw/zinc/74/88/74/945748874.db2.gz WJHVFRWZNFGFAG-SKDRFNHKSA-N -1 1 387.404 -0.514 20 0 GBADMM C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571278126 945748863 /nfs/dbraw/zinc/74/88/63/945748863.db2.gz WJHVFRWZNFGFAG-SKDRFNHKSA-N -1 1 387.404 -0.514 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2COC(=O)N2)n1 ZINC001571278127 945748663 /nfs/dbraw/zinc/74/86/63/945748663.db2.gz WNLZTAWHRUWTFQ-CMPLNLGQSA-N -1 1 387.404 -0.499 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2COC(=O)N2)n1 ZINC001571278127 945748661 /nfs/dbraw/zinc/74/86/61/945748661.db2.gz WNLZTAWHRUWTFQ-CMPLNLGQSA-N -1 1 387.404 -0.499 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)n1 ZINC001571278128 945748559 /nfs/dbraw/zinc/74/85/59/945748559.db2.gz WNLZTAWHRUWTFQ-JQWIXIFHSA-N -1 1 387.404 -0.499 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)n1 ZINC001571278128 945748550 /nfs/dbraw/zinc/74/85/50/945748550.db2.gz WNLZTAWHRUWTFQ-JQWIXIFHSA-N -1 1 387.404 -0.499 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)n1 ZINC001571278129 945748695 /nfs/dbraw/zinc/74/86/95/945748695.db2.gz WNLZTAWHRUWTFQ-PWSUYJOCSA-N -1 1 387.404 -0.499 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)n1 ZINC001571278129 945748690 /nfs/dbraw/zinc/74/86/90/945748690.db2.gz WNLZTAWHRUWTFQ-PWSUYJOCSA-N -1 1 387.404 -0.499 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)[C@H]2COC(=O)N2)n1 ZINC001571278130 945749760 /nfs/dbraw/zinc/74/97/60/945749760.db2.gz WNLZTAWHRUWTFQ-ZYHUDNBSSA-N -1 1 387.404 -0.499 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)[C@H]2COC(=O)N2)n1 ZINC001571278130 945749753 /nfs/dbraw/zinc/74/97/53/945749753.db2.gz WNLZTAWHRUWTFQ-ZYHUDNBSSA-N -1 1 387.404 -0.499 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571278301 945751598 /nfs/dbraw/zinc/75/15/98/945751598.db2.gz XISBZEBWOZAMRZ-CKYFFXLPSA-N -1 1 387.404 -0.338 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571278301 945751590 /nfs/dbraw/zinc/75/15/90/945751590.db2.gz XISBZEBWOZAMRZ-CKYFFXLPSA-N -1 1 387.404 -0.338 20 0 GBADMM C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571278303 945750655 /nfs/dbraw/zinc/75/06/55/945750655.db2.gz XISBZEBWOZAMRZ-FOGDFJRCSA-N -1 1 387.404 -0.338 20 0 GBADMM C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571278303 945750647 /nfs/dbraw/zinc/75/06/47/945750647.db2.gz XISBZEBWOZAMRZ-FOGDFJRCSA-N -1 1 387.404 -0.338 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571278350 945750293 /nfs/dbraw/zinc/75/02/93/945750293.db2.gz YKNJSHOZUQPWFM-GMTAPVOTSA-N -1 1 387.404 -0.338 20 0 GBADMM C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571278350 945750287 /nfs/dbraw/zinc/75/02/87/945750287.db2.gz YKNJSHOZUQPWFM-GMTAPVOTSA-N -1 1 387.404 -0.338 20 0 GBADMM C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571278351 945751917 /nfs/dbraw/zinc/75/19/17/945751917.db2.gz YKNJSHOZUQPWFM-MXWKQRLJSA-N -1 1 387.404 -0.338 20 0 GBADMM C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571278351 945751907 /nfs/dbraw/zinc/75/19/07/945751907.db2.gz YKNJSHOZUQPWFM-MXWKQRLJSA-N -1 1 387.404 -0.338 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001571278374 945751288 /nfs/dbraw/zinc/75/12/88/945751288.db2.gz YSEZVZZYZBDCHC-CKYFFXLPSA-N -1 1 387.404 -0.087 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001571278374 945751278 /nfs/dbraw/zinc/75/12/78/945751278.db2.gz YSEZVZZYZBDCHC-CKYFFXLPSA-N -1 1 387.404 -0.087 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001571278379 945751136 /nfs/dbraw/zinc/75/11/36/945751136.db2.gz YSEZVZZYZBDCHC-NHCYSSNCSA-N -1 1 387.404 -0.087 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001571278379 945751126 /nfs/dbraw/zinc/75/11/26/945751126.db2.gz YSEZVZZYZBDCHC-NHCYSSNCSA-N -1 1 387.404 -0.087 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001571278400 945751961 /nfs/dbraw/zinc/75/19/61/945751961.db2.gz YZTJEYVHGOFHFT-LLVKDONJSA-N -1 1 387.404 -0.588 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001571278400 945751957 /nfs/dbraw/zinc/75/19/57/945751957.db2.gz YZTJEYVHGOFHFT-LLVKDONJSA-N -1 1 387.404 -0.588 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001571278402 945750797 /nfs/dbraw/zinc/75/07/97/945750797.db2.gz YZTJEYVHGOFHFT-NSHDSACASA-N -1 1 387.404 -0.588 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001571278402 945750788 /nfs/dbraw/zinc/75/07/88/945750788.db2.gz YZTJEYVHGOFHFT-NSHDSACASA-N -1 1 387.404 -0.588 20 0 GBADMM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001571278437 945753762 /nfs/dbraw/zinc/75/37/62/945753762.db2.gz ZVZYSFCSKCKMRK-JTQLQIEISA-N -1 1 387.404 -0.467 20 0 GBADMM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001571278439 945752798 /nfs/dbraw/zinc/75/27/98/945752798.db2.gz ZVZYSFCSKCKMRK-SNVBAGLBSA-N -1 1 387.404 -0.467 20 0 GBADMM Cc1nsc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1-c1nn[n-]n1 ZINC001571278745 945760463 /nfs/dbraw/zinc/76/04/63/945760463.db2.gz BHCBZAFBMBWXTH-UHFFFAOYSA-N -1 1 387.429 -0.312 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)c3ccns3)[C@@H](O)C2)n1 ZINC001571278780 945760215 /nfs/dbraw/zinc/76/02/15/945760215.db2.gz CATJJNUBNUVOQF-ZJUUUORDSA-N -1 1 387.429 -0.345 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)c3ccns3)[C@@H](O)C2)n1 ZINC001571278780 945760210 /nfs/dbraw/zinc/76/02/10/945760210.db2.gz CATJJNUBNUVOQF-ZJUUUORDSA-N -1 1 387.429 -0.345 20 0 GBADMM Cc1nc(C)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)s1 ZINC001571278785 945759833 /nfs/dbraw/zinc/75/98/33/945759833.db2.gz CBKWBWBAAYTBMB-ZJUUUORDSA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cnnn2)c1-c1nn[n-]n1 ZINC001571278806 945760654 /nfs/dbraw/zinc/76/06/54/945760654.db2.gz CMVQRHBPVZRRLN-UWVGGRQHSA-N -1 1 387.433 -0.502 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)c3cscn3)[C@@H](O)C2)n1 ZINC001571278830 945763264 /nfs/dbraw/zinc/76/32/64/945763264.db2.gz DDFBBLBFBBRFJU-KOLCDFICSA-N -1 1 387.429 -0.345 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)c3cscn3)[C@@H](O)C2)n1 ZINC001571278830 945763257 /nfs/dbraw/zinc/76/32/57/945763257.db2.gz DDFBBLBFBBRFJU-KOLCDFICSA-N -1 1 387.429 -0.345 20 0 GBADMM O=C(Cc1cscn1)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571278838 945763332 /nfs/dbraw/zinc/76/33/32/945763332.db2.gz DIMJYFKATBKVDF-LLVKDONJSA-N -1 1 387.429 -0.005 20 0 GBADMM O=C(Cc1cscn1)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571278838 945763328 /nfs/dbraw/zinc/76/33/28/945763328.db2.gz DIMJYFKATBKVDF-LLVKDONJSA-N -1 1 387.429 -0.005 20 0 GBADMM O=C(Cc1cscn1)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571278839 945762340 /nfs/dbraw/zinc/76/23/40/945762340.db2.gz DIMJYFKATBKVDF-NSHDSACASA-N -1 1 387.429 -0.005 20 0 GBADMM O=C(Cc1cscn1)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571278839 945762334 /nfs/dbraw/zinc/76/23/34/945762334.db2.gz DIMJYFKATBKVDF-NSHDSACASA-N -1 1 387.429 -0.005 20 0 GBADMM Cc1nsc(C)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001571278876 945763389 /nfs/dbraw/zinc/76/33/89/945763389.db2.gz FBFXYVSBXMLXAY-ZJUUUORDSA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nsc(C)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001571278876 945763381 /nfs/dbraw/zinc/76/33/81/945763381.db2.gz FBFXYVSBXMLXAY-ZJUUUORDSA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)sc1C ZINC001571278889 945763301 /nfs/dbraw/zinc/76/33/01/945763301.db2.gz FDLQOTGXEJZZEV-ZJUUUORDSA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)sc1C ZINC001571278889 945763296 /nfs/dbraw/zinc/76/32/96/945763296.db2.gz FDLQOTGXEJZZEV-ZJUUUORDSA-N -1 1 387.429 -0.290 20 0 GBADMM CS(=O)(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001571278927 945765557 /nfs/dbraw/zinc/76/55/57/945765557.db2.gz RLTMYJMELJGHHO-JTQLQIEISA-N -1 1 386.459 -0.151 20 0 GBADMM CS(=O)(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001571278928 945765814 /nfs/dbraw/zinc/76/58/14/945765814.db2.gz RLTMYJMELJGHHO-SNVBAGLBSA-N -1 1 386.459 -0.151 20 0 GBADMM Cc1nsc(C)c1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571279086 945770000 /nfs/dbraw/zinc/77/00/00/945770000.db2.gz ILYYAUOQHYZVKG-GHMZBOCLSA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nsc(C)c1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571279086 945769993 /nfs/dbraw/zinc/76/99/93/945769993.db2.gz ILYYAUOQHYZVKG-GHMZBOCLSA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)c1-c1nn[n-]n1 ZINC001571279106 945769933 /nfs/dbraw/zinc/76/99/33/945769933.db2.gz IVOOLSDUVIUOEE-SECBINFHSA-N -1 1 387.429 -0.266 20 0 GBADMM Cc1nsc(N2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)c1-c1nn[n-]n1 ZINC001571279107 945769054 /nfs/dbraw/zinc/76/90/54/945769054.db2.gz IVOOLSDUVIUOEE-VIFPVBQESA-N -1 1 387.429 -0.266 20 0 GBADMM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001571279457 945780667 /nfs/dbraw/zinc/78/06/67/945780667.db2.gz PDRAUVYHNHRFRG-MWLCHTKSSA-N -1 1 387.443 -0.074 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)sc1C ZINC001571279497 945780637 /nfs/dbraw/zinc/78/06/37/945780637.db2.gz QFUGNKYKQOIRFF-MNOVXSKESA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)sc1C ZINC001571279497 945780628 /nfs/dbraw/zinc/78/06/28/945780628.db2.gz QFUGNKYKQOIRFF-MNOVXSKESA-N -1 1 387.429 -0.290 20 0 GBADMM CCc1ncsc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571279514 945780331 /nfs/dbraw/zinc/78/03/31/945780331.db2.gz QXSONYYKLVAIQM-ZJUUUORDSA-N -1 1 387.429 -0.345 20 0 GBADMM Cc1nscc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571279527 945780764 /nfs/dbraw/zinc/78/07/64/945780764.db2.gz RFSJULFIWXNHJP-CMPLNLGQSA-N -1 1 387.429 -0.209 20 0 GBADMM Cc1nscc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571279527 945780760 /nfs/dbraw/zinc/78/07/60/945780760.db2.gz RFSJULFIWXNHJP-CMPLNLGQSA-N -1 1 387.429 -0.209 20 0 GBADMM Cc1nscc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571279528 945779139 /nfs/dbraw/zinc/77/91/39/945779139.db2.gz RFSJULFIWXNHJP-JQWIXIFHSA-N -1 1 387.429 -0.209 20 0 GBADMM Cc1nscc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571279528 945779135 /nfs/dbraw/zinc/77/91/35/945779135.db2.gz RFSJULFIWXNHJP-JQWIXIFHSA-N -1 1 387.429 -0.209 20 0 GBADMM Cc1nscc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571279529 945779177 /nfs/dbraw/zinc/77/91/77/945779177.db2.gz RFSJULFIWXNHJP-PWSUYJOCSA-N -1 1 387.429 -0.209 20 0 GBADMM Cc1nscc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571279529 945779172 /nfs/dbraw/zinc/77/91/72/945779172.db2.gz RFSJULFIWXNHJP-PWSUYJOCSA-N -1 1 387.429 -0.209 20 0 GBADMM Cc1nscc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571279530 945779253 /nfs/dbraw/zinc/77/92/53/945779253.db2.gz RFSJULFIWXNHJP-ZYHUDNBSSA-N -1 1 387.429 -0.209 20 0 GBADMM Cc1nscc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571279530 945779247 /nfs/dbraw/zinc/77/92/47/945779247.db2.gz RFSJULFIWXNHJP-ZYHUDNBSSA-N -1 1 387.429 -0.209 20 0 GBADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C2)c1-c1nn[n-]n1 ZINC001571279541 945782261 /nfs/dbraw/zinc/78/22/61/945782261.db2.gz RNXDSXSQVAELPN-SECBINFHSA-N -1 1 387.429 -0.266 20 0 GBADMM Cc1nc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)cs1 ZINC001571279542 945781937 /nfs/dbraw/zinc/78/19/37/945781937.db2.gz ROIGTHJZKCOGMV-VXGBXAGGSA-N -1 1 387.429 -0.670 20 0 GBADMM Cc1nc(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)cs1 ZINC001571279542 945781931 /nfs/dbraw/zinc/78/19/31/945781931.db2.gz ROIGTHJZKCOGMV-VXGBXAGGSA-N -1 1 387.429 -0.670 20 0 GBADMM Cc1nsc(C)c1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571279760 945786295 /nfs/dbraw/zinc/78/62/95/945786295.db2.gz UWMDANGJEORWBR-MNOVXSKESA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nsc(C)c1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571279760 945786290 /nfs/dbraw/zinc/78/62/90/945786290.db2.gz UWMDANGJEORWBR-MNOVXSKESA-N -1 1 387.429 -0.290 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cscn2)CCO1 ZINC001571279763 945786722 /nfs/dbraw/zinc/78/67/22/945786722.db2.gz UXZKLDSFQNTXJM-GXSJLCMTSA-N -1 1 387.429 -0.123 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cscn2)CCO1 ZINC001571279764 945787135 /nfs/dbraw/zinc/78/71/35/945787135.db2.gz UXZKLDSFQNTXJM-KOLCDFICSA-N -1 1 387.429 -0.123 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cscn2)CCO1 ZINC001571279765 945786547 /nfs/dbraw/zinc/78/65/47/945786547.db2.gz UXZKLDSFQNTXJM-MWLCHTKSSA-N -1 1 387.429 -0.123 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cscn2)CCO1 ZINC001571279766 945786356 /nfs/dbraw/zinc/78/63/56/945786356.db2.gz UXZKLDSFQNTXJM-ONGXEEELSA-N -1 1 387.429 -0.123 20 0 GBADMM Cc1nsc(N2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571279842 945788778 /nfs/dbraw/zinc/78/87/78/945788778.db2.gz XPZZQCWGKRBNMB-VHSXEESVSA-N -1 1 387.433 -0.645 20 0 GBADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C)nn3)C2)c1-c1nn[n-]n1 ZINC001571279847 945787664 /nfs/dbraw/zinc/78/76/64/945787664.db2.gz XWXBXWUGKQWRML-GHMZBOCLSA-N -1 1 387.429 -0.290 20 0 GBADMM Cc1nsc(N2C[C@@H](NC(=O)c3ccc(C)nn3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571279848 945788684 /nfs/dbraw/zinc/78/86/84/945788684.db2.gz XWXBXWUGKQWRML-MNOVXSKESA-N -1 1 387.429 -0.290 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1c1cnccn1 ZINC001571279943 945793691 /nfs/dbraw/zinc/79/36/91/945793691.db2.gz ZWFKUYBWNOSREL-LLVKDONJSA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1c1cnccn1 ZINC001571279943 945793683 /nfs/dbraw/zinc/79/36/83/945793683.db2.gz ZWFKUYBWNOSREL-LLVKDONJSA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1c1cnccn1 ZINC001571279944 945793738 /nfs/dbraw/zinc/79/37/38/945793738.db2.gz ZWFKUYBWNOSREL-NSHDSACASA-N -1 1 387.429 -0.049 20 0 GBADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1c1cnccn1 ZINC001571279944 945793733 /nfs/dbraw/zinc/79/37/33/945793733.db2.gz ZWFKUYBWNOSREL-NSHDSACASA-N -1 1 387.429 -0.049 20 0 GBADMM CCc1nc(N[C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571281834 945815722 /nfs/dbraw/zinc/81/57/22/945815722.db2.gz AVRZPLMBZRGZTM-HAQNSBGRSA-N -1 1 387.448 -0.390 20 0 GBADMM CCc1nc(N[C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571281834 945815705 /nfs/dbraw/zinc/81/57/05/945815705.db2.gz AVRZPLMBZRGZTM-HAQNSBGRSA-N -1 1 387.448 -0.390 20 0 GBADMM CN(C[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571281893 945820130 /nfs/dbraw/zinc/82/01/30/945820130.db2.gz BNFANTJMXUCQLW-CHWSQXEVSA-N -1 1 387.448 -0.728 20 0 GBADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571281896 945819492 /nfs/dbraw/zinc/81/94/92/945819492.db2.gz BNFANTJMXUCQLW-OLZOCXBDSA-N -1 1 387.448 -0.728 20 0 GBADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571281898 945820796 /nfs/dbraw/zinc/82/07/96/945820796.db2.gz 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GBADMM O=C(CN1CCOCC1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571281920 945821366 /nfs/dbraw/zinc/82/13/66/945821366.db2.gz BTWKHUYJBMNPEQ-CYBMUJFWSA-N -1 1 387.448 -0.796 20 0 GBADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001571282021 945823830 /nfs/dbraw/zinc/82/38/30/945823830.db2.gz CHWGTHDOHNFOPN-CYBMUJFWSA-N -1 1 387.448 -0.584 20 0 GBADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001571282021 945823817 /nfs/dbraw/zinc/82/38/17/945823817.db2.gz CHWGTHDOHNFOPN-CYBMUJFWSA-N -1 1 387.448 -0.584 20 0 GBADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001571282022 945823471 /nfs/dbraw/zinc/82/34/71/945823471.db2.gz CHWGTHDOHNFOPN-ZDUSSCGKSA-N -1 1 387.448 -0.584 20 0 GBADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001571282022 945823451 /nfs/dbraw/zinc/82/34/51/945823451.db2.gz CHWGTHDOHNFOPN-ZDUSSCGKSA-N -1 1 387.448 -0.584 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571282068 945827940 /nfs/dbraw/zinc/82/79/40/945827940.db2.gz CSHZDPGFCITRON-OCCSQVGLSA-N -1 1 387.448 -0.220 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571282068 945827925 /nfs/dbraw/zinc/82/79/25/945827925.db2.gz CSHZDPGFCITRON-OCCSQVGLSA-N -1 1 387.448 -0.220 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571282074 945826809 /nfs/dbraw/zinc/82/68/09/945826809.db2.gz CSHZDPGFCITRON-TZMCWYRMSA-N -1 1 387.448 -0.220 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571282074 945826798 /nfs/dbraw/zinc/82/67/98/945826798.db2.gz CSHZDPGFCITRON-TZMCWYRMSA-N -1 1 387.448 -0.220 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571282108 945827326 /nfs/dbraw/zinc/82/73/26/945827326.db2.gz DAAMEQGARDZKOM-GXTWGEPZSA-N -1 1 387.448 -0.362 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571282108 945827311 /nfs/dbraw/zinc/82/73/11/945827311.db2.gz DAAMEQGARDZKOM-GXTWGEPZSA-N -1 1 387.448 -0.362 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571282109 945827380 /nfs/dbraw/zinc/82/73/80/945827380.db2.gz DAAMEQGARDZKOM-JSGCOSHPSA-N -1 1 387.448 -0.362 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571282109 945827362 /nfs/dbraw/zinc/82/73/62/945827362.db2.gz DAAMEQGARDZKOM-JSGCOSHPSA-N -1 1 387.448 -0.362 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571282111 945827425 /nfs/dbraw/zinc/82/74/25/945827425.db2.gz DAAMEQGARDZKOM-OCCSQVGLSA-N -1 1 387.448 -0.362 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571282111 945827415 /nfs/dbraw/zinc/82/74/15/945827415.db2.gz DAAMEQGARDZKOM-OCCSQVGLSA-N -1 1 387.448 -0.362 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571282113 945827477 /nfs/dbraw/zinc/82/74/77/945827477.db2.gz DAAMEQGARDZKOM-TZMCWYRMSA-N -1 1 387.448 -0.362 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571282113 945827466 /nfs/dbraw/zinc/82/74/66/945827466.db2.gz DAAMEQGARDZKOM-TZMCWYRMSA-N -1 1 387.448 -0.362 20 0 GBADMM O=C(CN1CCOCC1)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571282122 945832658 /nfs/dbraw/zinc/83/26/58/945832658.db2.gz DFCSDXBRRWFIDJ-CYBMUJFWSA-N -1 1 387.448 -0.361 20 0 GBADMM O=C(CN1CCOCC1)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571282122 945832649 /nfs/dbraw/zinc/83/26/49/945832649.db2.gz DFCSDXBRRWFIDJ-CYBMUJFWSA-N -1 1 387.448 -0.361 20 0 GBADMM O=C(CN1CCOCC1)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571282123 945832819 /nfs/dbraw/zinc/83/28/19/945832819.db2.gz DFCSDXBRRWFIDJ-ZDUSSCGKSA-N -1 1 387.448 -0.361 20 0 GBADMM O=C(CN1CCOCC1)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571282123 945832803 /nfs/dbraw/zinc/83/28/03/945832803.db2.gz DFCSDXBRRWFIDJ-ZDUSSCGKSA-N -1 1 387.448 -0.361 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001571282164 945830607 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ZINC001571283122 945877654 /nfs/dbraw/zinc/87/76/54/945877654.db2.gz ZPPPLAAQOYZLPD-JSGCOSHPSA-N -1 1 387.448 -0.220 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571283123 945878151 /nfs/dbraw/zinc/87/81/51/945878151.db2.gz ZPPPLAAQOYZLPD-OCCSQVGLSA-N -1 1 387.448 -0.220 20 0 GBADMM CCN1CCOC[C@H]1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571283123 945878136 /nfs/dbraw/zinc/87/81/36/945878136.db2.gz ZPPPLAAQOYZLPD-OCCSQVGLSA-N -1 1 387.448 -0.220 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571283124 945876612 /nfs/dbraw/zinc/87/66/12/945876612.db2.gz ZPPPLAAQOYZLPD-TZMCWYRMSA-N -1 1 387.448 -0.220 20 0 GBADMM CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571283124 945876593 /nfs/dbraw/zinc/87/65/93/945876593.db2.gz ZPPPLAAQOYZLPD-TZMCWYRMSA-N -1 1 387.448 -0.220 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccc(Cl)cn1 ZINC001571283430 945886321 /nfs/dbraw/zinc/88/63/21/945886321.db2.gz FUEKUVKSJFFXAP-VXGBXAGGSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccc(Cl)cn1 ZINC001571283430 945886306 /nfs/dbraw/zinc/88/63/06/945886306.db2.gz FUEKUVKSJFFXAP-VXGBXAGGSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccc(Cl)cn1 ZINC001571283582 945886900 /nfs/dbraw/zinc/88/69/00/945886900.db2.gz GLBQBKIPLXOYFZ-GHMZBOCLSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccc(Cl)cn1 ZINC001571283582 945886886 /nfs/dbraw/zinc/88/68/86/945886886.db2.gz GLBQBKIPLXOYFZ-GHMZBOCLSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccc(Cl)cn1 ZINC001571283696 945885689 /nfs/dbraw/zinc/88/56/89/945885689.db2.gz HCSJUNVGPXMIKZ-NEPJUHHUSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccc(Cl)cn1 ZINC001571283696 945885682 /nfs/dbraw/zinc/88/56/82/945885682.db2.gz HCSJUNVGPXMIKZ-NEPJUHHUSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1cncc(Cl)c1 ZINC001571283883 945893734 /nfs/dbraw/zinc/89/37/34/945893734.db2.gz KGRIJOZLVLFMDL-MNOVXSKESA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1cncc(Cl)c1 ZINC001571283883 945893719 /nfs/dbraw/zinc/89/37/19/945893719.db2.gz KGRIJOZLVLFMDL-MNOVXSKESA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cncc(Cl)c1 ZINC001571284384 945900829 /nfs/dbraw/zinc/90/08/29/945900829.db2.gz PFSMZUAAHSOBJH-NEPJUHHUSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1cncc(Cl)c1 ZINC001571284384 945900822 /nfs/dbraw/zinc/90/08/22/945900822.db2.gz PFSMZUAAHSOBJH-NEPJUHHUSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccncc1Cl ZINC001571284669 945905424 /nfs/dbraw/zinc/90/54/24/945905424.db2.gz SHWOMDWLWQFGEQ-GHMZBOCLSA-N -1 1 387.791 -0.315 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccncc1Cl ZINC001571284669 945905419 /nfs/dbraw/zinc/90/54/19/945905419.db2.gz SHWOMDWLWQFGEQ-GHMZBOCLSA-N -1 1 387.791 -0.315 20 0 GBADMM CCOC(=O)[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1C(F)(F)F ZINC001571285425 945914836 /nfs/dbraw/zinc/91/48/36/945914836.db2.gz DEQUAWXMNOEDFY-HTQZYQBOSA-N -1 1 388.310 -0.342 20 0 GBADMM CO[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC001571285439 945917149 /nfs/dbraw/zinc/91/71/49/945917149.db2.gz DPKYGBIIIVABRK-GHMZBOCLSA-N -1 1 388.367 -0.539 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1c(F)cccc1F ZINC001571285456 945917848 /nfs/dbraw/zinc/91/78/48/945917848.db2.gz FDIUIRLQMWBEOC-NEPJUHHUSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1c(F)cccc1F ZINC001571285456 945917841 /nfs/dbraw/zinc/91/78/41/945917841.db2.gz FDIUIRLQMWBEOC-NEPJUHHUSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1=COCCO1 ZINC001571285461 945917564 /nfs/dbraw/zinc/91/75/64/945917564.db2.gz FGCXXWLVSROSES-LLVKDONJSA-N -1 1 388.388 -0.744 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1=COCCO1 ZINC001571285461 945917559 /nfs/dbraw/zinc/91/75/59/945917559.db2.gz FGCXXWLVSROSES-LLVKDONJSA-N -1 1 388.388 -0.744 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1=COCCO1 ZINC001571285462 945918936 /nfs/dbraw/zinc/91/89/36/945918936.db2.gz FGCXXWLVSROSES-NSHDSACASA-N -1 1 388.388 -0.744 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1=COCCO1 ZINC001571285462 945918921 /nfs/dbraw/zinc/91/89/21/945918921.db2.gz FGCXXWLVSROSES-NSHDSACASA-N -1 1 388.388 -0.744 20 0 GBADMM COc1ccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c(OC)n1 ZINC001571285467 945919033 /nfs/dbraw/zinc/91/90/33/945919033.db2.gz FMLVFVIUTVRSPV-UHFFFAOYSA-N -1 1 388.344 -0.430 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1ccc(F)c(F)c1 ZINC001571285501 945918445 /nfs/dbraw/zinc/91/84/45/945918445.db2.gz GMNWBPRBHBVPDX-NEPJUHHUSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1ccc(F)c(F)c1 ZINC001571285501 945918436 /nfs/dbraw/zinc/91/84/36/945918436.db2.gz GMNWBPRBHBVPDX-NEPJUHHUSA-N -1 1 388.338 -0.086 20 0 GBADMM COc1cc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cnc1OC ZINC001571285633 945923335 /nfs/dbraw/zinc/92/33/35/945923335.db2.gz KFMCOGRMKKJCRJ-UHFFFAOYSA-N -1 1 388.344 -0.430 20 0 GBADMM CN(C)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c(F)c1 ZINC001571285655 945922694 /nfs/dbraw/zinc/92/26/94/945922694.db2.gz KZCURAQUKPCYDF-UHFFFAOYSA-N -1 1 388.363 -0.236 20 0 GBADMM Cc1[nH]nc(NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001571285757 945925220 /nfs/dbraw/zinc/92/52/20/945925220.db2.gz NAILHPXYXNCBFL-NSHDSACASA-N -1 1 388.363 -0.304 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1cc(F)ccc1F ZINC001571285770 945927250 /nfs/dbraw/zinc/92/72/50/945927250.db2.gz NPAUJPWBZQZIQM-OLZOCXBDSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1cc(F)ccc1F ZINC001571285770 945927243 /nfs/dbraw/zinc/92/72/43/945927243.db2.gz NPAUJPWBZQZIQM-OLZOCXBDSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(C[C@H]1COC(=O)C1)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571285819 945928458 /nfs/dbraw/zinc/92/84/58/945928458.db2.gz OVWOPBSIWNRTLT-GHMZBOCLSA-N -1 1 388.388 -0.751 20 0 GBADMM O=C(C[C@H]1COC(=O)C1)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571285819 945928449 /nfs/dbraw/zinc/92/84/49/945928449.db2.gz OVWOPBSIWNRTLT-GHMZBOCLSA-N -1 1 388.388 -0.751 20 0 GBADMM O=C(C[C@H]1COC(=O)C1)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571285820 945927043 /nfs/dbraw/zinc/92/70/43/945927043.db2.gz OVWOPBSIWNRTLT-MNOVXSKESA-N -1 1 388.388 -0.751 20 0 GBADMM O=C(C[C@H]1COC(=O)C1)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571285820 945927035 /nfs/dbraw/zinc/92/70/35/945927035.db2.gz OVWOPBSIWNRTLT-MNOVXSKESA-N -1 1 388.388 -0.751 20 0 GBADMM O=C(C[C@@H]1COC(=O)C1)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571285821 945927761 /nfs/dbraw/zinc/92/77/61/945927761.db2.gz OVWOPBSIWNRTLT-QWRGUYRKSA-N -1 1 388.388 -0.751 20 0 GBADMM O=C(C[C@@H]1COC(=O)C1)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571285821 945927749 /nfs/dbraw/zinc/92/77/49/945927749.db2.gz OVWOPBSIWNRTLT-QWRGUYRKSA-N -1 1 388.388 -0.751 20 0 GBADMM O=C(C[C@@H]1COC(=O)C1)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571285822 945928627 /nfs/dbraw/zinc/92/86/27/945928627.db2.gz OVWOPBSIWNRTLT-WDEREUQCSA-N -1 1 388.388 -0.751 20 0 GBADMM O=C(C[C@@H]1COC(=O)C1)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571285822 945928617 /nfs/dbraw/zinc/92/86/17/945928617.db2.gz OVWOPBSIWNRTLT-WDEREUQCSA-N -1 1 388.388 -0.751 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1c(F)cccc1F ZINC001571285881 945930419 /nfs/dbraw/zinc/93/04/19/945930419.db2.gz QAONLKMLKCELSN-MNOVXSKESA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1c(F)cccc1F ZINC001571285881 945930413 /nfs/dbraw/zinc/93/04/13/945930413.db2.gz QAONLKMLKCELSN-MNOVXSKESA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccc(F)c(F)c1 ZINC001571285894 945931163 /nfs/dbraw/zinc/93/11/63/945931163.db2.gz QUMIHVPISZKKKG-OLZOCXBDSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1ccc(F)c(F)c1 ZINC001571285894 945931160 /nfs/dbraw/zinc/93/11/60/945931160.db2.gz QUMIHVPISZKKKG-OLZOCXBDSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1c(F)cccc1F ZINC001571285936 945932271 /nfs/dbraw/zinc/93/22/71/945932271.db2.gz RSNMRCKTCCQOIO-VXGBXAGGSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1c(F)cccc1F ZINC001571285936 945932263 /nfs/dbraw/zinc/93/22/63/945932263.db2.gz RSNMRCKTCCQOIO-VXGBXAGGSA-N -1 1 388.338 -0.086 20 0 GBADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1cccc(F)c1F ZINC001571286016 945935491 /nfs/dbraw/zinc/93/54/91/945935491.db2.gz UUPFTIBRNKQFDD-GHMZBOCLSA-N -1 1 388.338 -0.086 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571286018 945934801 /nfs/dbraw/zinc/93/48/01/945934801.db2.gz UZZUIEHRNIUJKJ-NXEZZACHSA-N -1 1 388.367 -0.939 20 0 GBADMM O=C(c1n[nH]cc1F)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571286021 945934463 /nfs/dbraw/zinc/93/44/63/945934463.db2.gz VCFGZYHMOLDKRC-UHFFFAOYSA-N -1 1 388.367 -0.402 20 0 GBADMM O=C(c1n[nH]cc1F)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571286021 945934459 /nfs/dbraw/zinc/93/44/59/945934459.db2.gz VCFGZYHMOLDKRC-UHFFFAOYSA-N -1 1 388.367 -0.402 20 0 GBADMM O=C(C1=COCCO1)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286030 945934360 /nfs/dbraw/zinc/93/43/60/945934360.db2.gz VKTRTWSONLJVHZ-LLVKDONJSA-N -1 1 388.388 -0.426 20 0 GBADMM O=C(C1=COCCO1)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286030 945934353 /nfs/dbraw/zinc/93/43/53/945934353.db2.gz VKTRTWSONLJVHZ-LLVKDONJSA-N -1 1 388.388 -0.426 20 0 GBADMM O=C(C1=COCCO1)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286031 945935708 /nfs/dbraw/zinc/93/57/08/945935708.db2.gz VKTRTWSONLJVHZ-NSHDSACASA-N -1 1 388.388 -0.426 20 0 GBADMM O=C(C1=COCCO1)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286031 945935704 /nfs/dbraw/zinc/93/57/04/945935704.db2.gz VKTRTWSONLJVHZ-NSHDSACASA-N -1 1 388.388 -0.426 20 0 GBADMM O=C(N[C@@H]1COC(=O)C1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001571286102 945938215 /nfs/dbraw/zinc/93/82/15/945938215.db2.gz XXGQQODDQMKPTP-JTQLQIEISA-N -1 1 388.388 -0.121 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2CNC(=O)c2n[nH]cc2F)n1 ZINC001571286149 945938154 /nfs/dbraw/zinc/93/81/54/945938154.db2.gz ZMAOJNODODPTNB-SECBINFHSA-N -1 1 388.367 -0.537 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2CNC(=O)c2n[nH]cc2F)n1 ZINC001571286150 945937385 /nfs/dbraw/zinc/93/73/85/945937385.db2.gz ZMAOJNODODPTNB-VIFPVBQESA-N -1 1 388.367 -0.537 20 0 GBADMM O=C(CC1(O)CCC1)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571286198 945940398 /nfs/dbraw/zinc/94/03/98/945940398.db2.gz APXBFLLMAXCTAI-INIZCTEOSA-N -1 1 388.432 -0.273 20 0 GBADMM O=C(CC1(O)CCC1)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571286198 945940389 /nfs/dbraw/zinc/94/03/89/945940389.db2.gz APXBFLLMAXCTAI-INIZCTEOSA-N -1 1 388.432 -0.273 20 0 GBADMM O=C(CC1(O)CCC1)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571286199 945939850 /nfs/dbraw/zinc/93/98/50/945939850.db2.gz APXBFLLMAXCTAI-MRXNPFEDSA-N -1 1 388.432 -0.273 20 0 GBADMM O=C(CC1(O)CCC1)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571286199 945939841 /nfs/dbraw/zinc/93/98/41/945939841.db2.gz APXBFLLMAXCTAI-MRXNPFEDSA-N -1 1 388.432 -0.273 20 0 GBADMM CN(CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccnc1 ZINC001571286201 945940667 /nfs/dbraw/zinc/94/06/67/945940667.db2.gz AQXAFLPWDKIWIF-UHFFFAOYSA-N -1 1 388.413 -0.406 20 0 GBADMM CN(CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccnc1 ZINC001571286201 945940660 /nfs/dbraw/zinc/94/06/60/945940660.db2.gz AQXAFLPWDKIWIF-UHFFFAOYSA-N -1 1 388.413 -0.406 20 0 GBADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001571286209 945939206 /nfs/dbraw/zinc/93/92/06/945939206.db2.gz BAWCTHCTGDVWOT-UHFFFAOYSA-N -1 1 388.413 -0.154 20 0 GBADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC(c2[nH]nc3c2COCC3)C1 ZINC001571286209 945939195 /nfs/dbraw/zinc/93/91/95/945939195.db2.gz BAWCTHCTGDVWOT-UHFFFAOYSA-N -1 1 388.413 -0.154 20 0 GBADMM O=C(CC1(O)CCC1)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286227 945940713 /nfs/dbraw/zinc/94/07/13/945940713.db2.gz BONFOZMNFBCEEB-GFCCVEGCSA-N -1 1 388.432 -0.009 20 0 GBADMM O=C(CC1(O)CCC1)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286227 945940704 /nfs/dbraw/zinc/94/07/04/945940704.db2.gz BONFOZMNFBCEEB-GFCCVEGCSA-N -1 1 388.432 -0.009 20 0 GBADMM O=C(CC1(O)CCC1)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286228 945938941 /nfs/dbraw/zinc/93/89/41/945938941.db2.gz BONFOZMNFBCEEB-LBPRGKRZSA-N -1 1 388.432 -0.009 20 0 GBADMM O=C(CC1(O)CCC1)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286228 945938931 /nfs/dbraw/zinc/93/89/31/945938931.db2.gz BONFOZMNFBCEEB-LBPRGKRZSA-N -1 1 388.432 -0.009 20 0 GBADMM CO[C@H](C)C(=O)N1CC[C@]2(C1)CN(c1nc(C)cc(-c3nn[n-]n3)n1)CCO2 ZINC001571286259 945942974 /nfs/dbraw/zinc/94/29/74/945942974.db2.gz CIIZHDSKHQAJPH-PXAZEXFGSA-N -1 1 388.432 -0.192 20 0 GBADMM CO[C@H](C)C(=O)N1CC[C@]2(C1)CN(c1nc(C)cc(-c3nnn[n-]3)n1)CCO2 ZINC001571286259 945942966 /nfs/dbraw/zinc/94/29/66/945942966.db2.gz CIIZHDSKHQAJPH-PXAZEXFGSA-N -1 1 388.432 -0.192 20 0 GBADMM CO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(c1nc(C)cc(-c3nn[n-]n3)n1)CCO2 ZINC001571286260 945942733 /nfs/dbraw/zinc/94/27/33/945942733.db2.gz CIIZHDSKHQAJPH-SJCJKPOMSA-N -1 1 388.432 -0.192 20 0 GBADMM CO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(c1nc(C)cc(-c3nnn[n-]3)n1)CCO2 ZINC001571286260 945942724 /nfs/dbraw/zinc/94/27/24/945942724.db2.gz CIIZHDSKHQAJPH-SJCJKPOMSA-N -1 1 388.432 -0.192 20 0 GBADMM CO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(c1nc(C)cc(-c3nn[n-]n3)n1)CCO2 ZINC001571286261 945941588 /nfs/dbraw/zinc/94/15/88/945941588.db2.gz CIIZHDSKHQAJPH-SJKOYZFVSA-N -1 1 388.432 -0.192 20 0 GBADMM CO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(c1nc(C)cc(-c3nnn[n-]3)n1)CCO2 ZINC001571286261 945941579 /nfs/dbraw/zinc/94/15/79/945941579.db2.gz CIIZHDSKHQAJPH-SJKOYZFVSA-N -1 1 388.432 -0.192 20 0 GBADMM CO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(c1nc(C)cc(-c3nn[n-]n3)n1)CCO2 ZINC001571286262 945943331 /nfs/dbraw/zinc/94/33/31/945943331.db2.gz CIIZHDSKHQAJPH-YVEFUNNKSA-N -1 1 388.432 -0.192 20 0 GBADMM CO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(c1nc(C)cc(-c3nnn[n-]3)n1)CCO2 ZINC001571286262 945943327 /nfs/dbraw/zinc/94/33/27/945943327.db2.gz CIIZHDSKHQAJPH-YVEFUNNKSA-N -1 1 388.432 -0.192 20 0 GBADMM CCOC1CC(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)C1 ZINC001571286265 945942558 /nfs/dbraw/zinc/94/25/58/945942558.db2.gz CJWWRMOXUAWDPI-BPCQOVAHSA-N -1 1 388.432 -0.207 20 0 GBADMM CCOC1CC(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)C1 ZINC001571286265 945942548 /nfs/dbraw/zinc/94/25/48/945942548.db2.gz CJWWRMOXUAWDPI-BPCQOVAHSA-N -1 1 388.432 -0.207 20 0 GBADMM CCOC1CC(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)C1 ZINC001571286266 945943143 /nfs/dbraw/zinc/94/31/43/945943143.db2.gz CJWWRMOXUAWDPI-WXRRBKDZSA-N -1 1 388.432 -0.207 20 0 GBADMM CCOC1CC(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)C1 ZINC001571286266 945943136 /nfs/dbraw/zinc/94/31/36/945943136.db2.gz CJWWRMOXUAWDPI-WXRRBKDZSA-N -1 1 388.432 -0.207 20 0 GBADMM CO[C@H](C)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571286271 945943222 /nfs/dbraw/zinc/94/32/22/945943222.db2.gz CRZQDZPQMFUVOG-GFCCVEGCSA-N -1 1 388.432 -0.111 20 0 GBADMM CO[C@@H](C)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571286272 945943258 /nfs/dbraw/zinc/94/32/58/945943258.db2.gz CRZQDZPQMFUVOG-LBPRGKRZSA-N -1 1 388.432 -0.111 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)c1cnsn1 ZINC001571286300 945942838 /nfs/dbraw/zinc/94/28/38/945942838.db2.gz DGJXXCMSEADSMM-SECBINFHSA-N -1 1 388.417 -0.467 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)c1cnsn1 ZINC001571286300 945942828 /nfs/dbraw/zinc/94/28/28/945942828.db2.gz DGJXXCMSEADSMM-SECBINFHSA-N -1 1 388.417 -0.467 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)c1cnsn1 ZINC001571286301 945943292 /nfs/dbraw/zinc/94/32/92/945943292.db2.gz DGJXXCMSEADSMM-VIFPVBQESA-N -1 1 388.417 -0.467 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)c1cnsn1 ZINC001571286301 945943286 /nfs/dbraw/zinc/94/32/86/945943286.db2.gz DGJXXCMSEADSMM-VIFPVBQESA-N -1 1 388.417 -0.467 20 0 GBADMM O=C(c1cnsn1)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571286328 945945555 /nfs/dbraw/zinc/94/55/55/945945555.db2.gz DWXIZIKNCWWLIC-SECBINFHSA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1cnsn1)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571286328 945945548 /nfs/dbraw/zinc/94/55/48/945945548.db2.gz DWXIZIKNCWWLIC-SECBINFHSA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1cnsn1)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571286329 945944727 /nfs/dbraw/zinc/94/47/27/945944727.db2.gz DWXIZIKNCWWLIC-VIFPVBQESA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1cnsn1)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571286329 945944719 /nfs/dbraw/zinc/94/47/19/945944719.db2.gz DWXIZIKNCWWLIC-VIFPVBQESA-N -1 1 388.417 -0.149 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(O)CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC001571286336 945945842 /nfs/dbraw/zinc/94/58/42/945945842.db2.gz FCWUVFJSSINWQW-GFCCVEGCSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(O)CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC001571286336 945945833 /nfs/dbraw/zinc/94/58/33/945945833.db2.gz FCWUVFJSSINWQW-GFCCVEGCSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(O)CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC001571286337 945944500 /nfs/dbraw/zinc/94/45/00/945944500.db2.gz FCWUVFJSSINWQW-LBPRGKRZSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(O)CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC001571286337 945944489 /nfs/dbraw/zinc/94/44/89/945944489.db2.gz FCWUVFJSSINWQW-LBPRGKRZSA-N -1 1 388.432 -0.233 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cnns2)CCO1 ZINC001571286340 945944807 /nfs/dbraw/zinc/94/48/07/945944807.db2.gz FFUJSHUOWSZUCT-BDAKNGLRSA-N -1 1 388.417 -0.728 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC001571286341 945944743 /nfs/dbraw/zinc/94/47/43/945944743.db2.gz FFUJSHUOWSZUCT-DTWKUNHWSA-N -1 1 388.417 -0.728 20 0 GBADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2cnns2)CCO1 ZINC001571286342 945944780 /nfs/dbraw/zinc/94/47/80/945944780.db2.gz FFUJSHUOWSZUCT-IUCAKERBSA-N -1 1 388.417 -0.728 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC001571286343 945945743 /nfs/dbraw/zinc/94/57/43/945945743.db2.gz FFUJSHUOWSZUCT-RKDXNWHRSA-N -1 1 388.417 -0.728 20 0 GBADMM O=C(c1csnn1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571286366 945946074 /nfs/dbraw/zinc/94/60/74/945946074.db2.gz FXFVRPYIZGLOGU-UHFFFAOYSA-N -1 1 388.417 -0.413 20 0 GBADMM O=C(c1csnn1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571286366 945946062 /nfs/dbraw/zinc/94/60/62/945946062.db2.gz FXFVRPYIZGLOGU-UHFFFAOYSA-N -1 1 388.417 -0.413 20 0 GBADMM C[C@H]1OCC[C@@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571286379 945945455 /nfs/dbraw/zinc/94/54/55/945945455.db2.gz GEMKWHFYCPQVLV-NEPJUHHUSA-N -1 1 388.432 -0.731 20 0 GBADMM C[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571286380 945946001 /nfs/dbraw/zinc/94/60/01/945946001.db2.gz GEMKWHFYCPQVLV-NWDGAFQWSA-N -1 1 388.432 -0.731 20 0 GBADMM C[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571286381 945945726 /nfs/dbraw/zinc/94/57/26/945945726.db2.gz GEMKWHFYCPQVLV-RYUDHWBXSA-N -1 1 388.432 -0.731 20 0 GBADMM C[C@H]1OCC[C@H]1C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571286382 945946096 /nfs/dbraw/zinc/94/60/96/945946096.db2.gz GEMKWHFYCPQVLV-VXGBXAGGSA-N -1 1 388.432 -0.731 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001571286395 945944002 /nfs/dbraw/zinc/94/40/02/945944002.db2.gz GTJXRMVRKQXQJA-NEPJUHHUSA-N -1 1 388.432 -0.010 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001571286395 945943988 /nfs/dbraw/zinc/94/39/88/945943988.db2.gz GTJXRMVRKQXQJA-NEPJUHHUSA-N -1 1 388.432 -0.010 20 0 GBADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001571286396 945945990 /nfs/dbraw/zinc/94/59/90/945945990.db2.gz GTJXRMVRKQXQJA-NWDGAFQWSA-N -1 1 388.432 -0.010 20 0 GBADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001571286396 945945981 /nfs/dbraw/zinc/94/59/81/945945981.db2.gz GTJXRMVRKQXQJA-NWDGAFQWSA-N -1 1 388.432 -0.010 20 0 GBADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001571286397 945945128 /nfs/dbraw/zinc/94/51/28/945945128.db2.gz GTJXRMVRKQXQJA-RYUDHWBXSA-N -1 1 388.432 -0.010 20 0 GBADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001571286397 945945114 /nfs/dbraw/zinc/94/51/14/945945114.db2.gz GTJXRMVRKQXQJA-RYUDHWBXSA-N -1 1 388.432 -0.010 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001571286398 945947494 /nfs/dbraw/zinc/94/74/94/945947494.db2.gz GTJXRMVRKQXQJA-VXGBXAGGSA-N -1 1 388.432 -0.010 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001571286398 945947483 /nfs/dbraw/zinc/94/74/83/945947483.db2.gz GTJXRMVRKQXQJA-VXGBXAGGSA-N -1 1 388.432 -0.010 20 0 GBADMM O=C(C[C@H]1CCOC1)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571286416 945947757 /nfs/dbraw/zinc/94/77/57/945947757.db2.gz HFCFBDBSVAWGOJ-GFCCVEGCSA-N -1 1 388.432 -0.729 20 0 GBADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cnc(CC2CC2)s1 ZINC001571286418 945948088 /nfs/dbraw/zinc/94/80/88/945948088.db2.gz HHFUHRKYWUQGJT-UHFFFAOYSA-N -1 1 388.413 -0.032 20 0 GBADMM CC1(C)CN(C(=O)CC2OCCCO2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571286430 945947429 /nfs/dbraw/zinc/94/74/29/945947429.db2.gz HORZUAPCLQGULT-LLVKDONJSA-N -1 1 388.432 -0.119 20 0 GBADMM CC1(C)CN(C(=O)CC2OCCCO2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571286431 945948099 /nfs/dbraw/zinc/94/80/99/945948099.db2.gz HORZUAPCLQGULT-NSHDSACASA-N -1 1 388.432 -0.119 20 0 GBADMM COC1CCC(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CC1 ZINC001571286441 945947648 /nfs/dbraw/zinc/94/76/48/945947648.db2.gz HSQHCJWNLJHYOL-FIYWTHMPSA-N -1 1 388.432 -0.472 20 0 GBADMM O=C([C@H]1CCCO1)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571286450 945948418 /nfs/dbraw/zinc/94/84/18/945948418.db2.gz IEKDIOIDONGOQW-CYBMUJFWSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@H]1CCCO1)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571286450 945948410 /nfs/dbraw/zinc/94/84/10/945948410.db2.gz IEKDIOIDONGOQW-CYBMUJFWSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@@H]1CCCO1)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571286451 945947335 /nfs/dbraw/zinc/94/73/35/945947335.db2.gz IEKDIOIDONGOQW-ZDUSSCGKSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@@H]1CCCO1)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571286451 945947326 /nfs/dbraw/zinc/94/73/26/945947326.db2.gz IEKDIOIDONGOQW-ZDUSSCGKSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C(c1csnn1)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571286482 945949654 /nfs/dbraw/zinc/94/96/54/945949654.db2.gz IZZTVFLEUDEVGU-AWEZNQCLSA-N -1 1 388.417 -0.413 20 0 GBADMM O=C(c1csnn1)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571286482 945949644 /nfs/dbraw/zinc/94/96/44/945949644.db2.gz IZZTVFLEUDEVGU-AWEZNQCLSA-N -1 1 388.417 -0.413 20 0 GBADMM O=C(c1csnn1)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571286483 945951099 /nfs/dbraw/zinc/95/10/99/945951099.db2.gz IZZTVFLEUDEVGU-CQSZACIVSA-N -1 1 388.417 -0.413 20 0 GBADMM O=C(c1csnn1)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571286483 945951089 /nfs/dbraw/zinc/95/10/89/945951089.db2.gz IZZTVFLEUDEVGU-CQSZACIVSA-N -1 1 388.417 -0.413 20 0 GBADMM O=C(c1cnns1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286484 945950841 /nfs/dbraw/zinc/95/08/41/945950841.db2.gz JCFFNYLSKNEWFT-SECBINFHSA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1cnns1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286484 945950836 /nfs/dbraw/zinc/95/08/36/945950836.db2.gz JCFFNYLSKNEWFT-SECBINFHSA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1cnns1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286485 945950398 /nfs/dbraw/zinc/95/03/98/945950398.db2.gz JCFFNYLSKNEWFT-VIFPVBQESA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1cnns1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286485 945950390 /nfs/dbraw/zinc/95/03/90/945950390.db2.gz JCFFNYLSKNEWFT-VIFPVBQESA-N -1 1 388.417 -0.149 20 0 GBADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571286511 945950696 /nfs/dbraw/zinc/95/06/96/945950696.db2.gz JRZSQJHFHYHANW-ZZVYKPCYSA-N -1 1 388.432 -0.554 20 0 GBADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571286511 945950694 /nfs/dbraw/zinc/95/06/94/945950694.db2.gz JRZSQJHFHYHANW-ZZVYKPCYSA-N -1 1 388.432 -0.554 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)CO[C@@H]3CCOC3)CC2)n1 ZINC001571286541 945949938 /nfs/dbraw/zinc/94/99/38/945949938.db2.gz KIQCQOQFZPXFQP-CYBMUJFWSA-N -1 1 388.432 -0.191 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)CO[C@@H]3CCOC3)CC2)n1 ZINC001571286541 945949929 /nfs/dbraw/zinc/94/99/29/945949929.db2.gz KIQCQOQFZPXFQP-CYBMUJFWSA-N -1 1 388.432 -0.191 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)CO[C@H]3CCOC3)CC2)n1 ZINC001571286542 945950179 /nfs/dbraw/zinc/95/01/79/945950179.db2.gz KIQCQOQFZPXFQP-ZDUSSCGKSA-N -1 1 388.432 -0.191 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)CO[C@H]3CCOC3)CC2)n1 ZINC001571286542 945950171 /nfs/dbraw/zinc/95/01/71/945950171.db2.gz KIQCQOQFZPXFQP-ZDUSSCGKSA-N -1 1 388.432 -0.191 20 0 GBADMM O=C([C@H]1CCCO1)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286544 945951180 /nfs/dbraw/zinc/95/11/80/945951180.db2.gz KKGOVUVTVPGSNJ-GXTWGEPZSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@H]1CCCO1)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286544 945951167 /nfs/dbraw/zinc/95/11/67/945951167.db2.gz KKGOVUVTVPGSNJ-GXTWGEPZSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@@H]1CCCO1)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286545 945950661 /nfs/dbraw/zinc/95/06/61/945950661.db2.gz KKGOVUVTVPGSNJ-JSGCOSHPSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@@H]1CCCO1)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286545 945950658 /nfs/dbraw/zinc/95/06/58/945950658.db2.gz KKGOVUVTVPGSNJ-JSGCOSHPSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@@H]1CCCO1)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286546 945950549 /nfs/dbraw/zinc/95/05/49/945950549.db2.gz KKGOVUVTVPGSNJ-OCCSQVGLSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@@H]1CCCO1)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286546 945950545 /nfs/dbraw/zinc/95/05/45/945950545.db2.gz KKGOVUVTVPGSNJ-OCCSQVGLSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@H]1CCCO1)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286547 945950735 /nfs/dbraw/zinc/95/07/35/945950735.db2.gz KKGOVUVTVPGSNJ-TZMCWYRMSA-N -1 1 388.432 -0.375 20 0 GBADMM O=C([C@H]1CCCO1)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286547 945950728 /nfs/dbraw/zinc/95/07/28/945950728.db2.gz KKGOVUVTVPGSNJ-TZMCWYRMSA-N -1 1 388.432 -0.375 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@H]3CCOC3)[C@H](OC)C2)n1 ZINC001571286596 945952220 /nfs/dbraw/zinc/95/22/20/945952220.db2.gz LVZGMASCRRVTET-CYZMBNFOSA-N -1 1 388.432 -0.425 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@H]3CCOC3)[C@H](OC)C2)n1 ZINC001571286596 945952215 /nfs/dbraw/zinc/95/22/15/945952215.db2.gz LVZGMASCRRVTET-CYZMBNFOSA-N -1 1 388.432 -0.425 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@H](OC)C2)n1 ZINC001571286597 945953797 /nfs/dbraw/zinc/95/37/97/945953797.db2.gz LVZGMASCRRVTET-RAIGVLPGSA-N -1 1 388.432 -0.425 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@H](OC)C2)n1 ZINC001571286597 945953789 /nfs/dbraw/zinc/95/37/89/945953789.db2.gz LVZGMASCRRVTET-RAIGVLPGSA-N -1 1 388.432 -0.425 20 0 GBADMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C[C@@H]1CCCCO1 ZINC001571286603 945952756 /nfs/dbraw/zinc/95/27/56/945952756.db2.gz MBWLZLIEKRLOBB-IACUBPJLSA-N -1 1 388.432 -0.064 20 0 GBADMM CO[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C[C@@H]1CCCCO1 ZINC001571286603 945952749 /nfs/dbraw/zinc/95/27/49/945952749.db2.gz MBWLZLIEKRLOBB-IACUBPJLSA-N -1 1 388.432 -0.064 20 0 GBADMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C[C@H]1CCCCO1 ZINC001571286604 945953576 /nfs/dbraw/zinc/95/35/76/945953576.db2.gz MBWLZLIEKRLOBB-MRVWCRGKSA-N -1 1 388.432 -0.064 20 0 GBADMM CO[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C[C@H]1CCCCO1 ZINC001571286604 945953572 /nfs/dbraw/zinc/95/35/72/945953572.db2.gz MBWLZLIEKRLOBB-MRVWCRGKSA-N -1 1 388.432 -0.064 20 0 GBADMM CCc1nn(CC(=O)N2CCC(C(N)=O)CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001571286617 945952199 /nfs/dbraw/zinc/95/21/99/945952199.db2.gz MLJIQDHKSSFOAQ-UHFFFAOYSA-N -1 1 388.432 -0.728 20 0 GBADMM CC(C)N(C)C(=O)C1CCN(C(=O)Cn2cncc(-c3nn[n-]n3)c2=O)CC1 ZINC001571286619 945952042 /nfs/dbraw/zinc/95/20/42/945952042.db2.gz MOASFZRGBMVSSO-UHFFFAOYSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(CC1CCOCC1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571286643 945956307 /nfs/dbraw/zinc/95/63/07/945956307.db2.gz NKAOYKVDVZOXLJ-GXTWGEPZSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(CC1CCOCC1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571286643 945956301 /nfs/dbraw/zinc/95/63/01/945956301.db2.gz NKAOYKVDVZOXLJ-GXTWGEPZSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(CC1CCOCC1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571286644 945956026 /nfs/dbraw/zinc/95/60/26/945956026.db2.gz NKAOYKVDVZOXLJ-JSGCOSHPSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(CC1CCOCC1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571286644 945956020 /nfs/dbraw/zinc/95/60/20/945956020.db2.gz NKAOYKVDVZOXLJ-JSGCOSHPSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(CC1CCOCC1)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571286645 945956183 /nfs/dbraw/zinc/95/61/83/945956183.db2.gz NKAOYKVDVZOXLJ-OCCSQVGLSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(CC1CCOCC1)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571286645 945956179 /nfs/dbraw/zinc/95/61/79/945956179.db2.gz NKAOYKVDVZOXLJ-OCCSQVGLSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(CC1CCOCC1)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571286646 945956270 /nfs/dbraw/zinc/95/62/70/945956270.db2.gz NKAOYKVDVZOXLJ-TZMCWYRMSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(CC1CCOCC1)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571286646 945956265 /nfs/dbraw/zinc/95/62/65/945956265.db2.gz NKAOYKVDVZOXLJ-TZMCWYRMSA-N -1 1 388.432 -0.471 20 0 GBADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571286664 945956216 /nfs/dbraw/zinc/95/62/16/945956216.db2.gz OBVXGJROSBCKLE-UPJWGTAASA-N -1 1 388.432 -0.207 20 0 GBADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571286665 945955232 /nfs/dbraw/zinc/95/52/32/945955232.db2.gz OBVXGJROSBCKLE-XQQFMLRXSA-N -1 1 388.432 -0.207 20 0 GBADMM O=C([C@H]1CCCCO1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571286683 945954513 /nfs/dbraw/zinc/95/45/13/945954513.db2.gz OSUKWCMDNFCAEY-PXAZEXFGSA-N -1 1 388.432 -0.587 20 0 GBADMM O=C([C@@H]1CCCCO1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571286684 945954641 /nfs/dbraw/zinc/95/46/41/945954641.db2.gz OSUKWCMDNFCAEY-SJCJKPOMSA-N -1 1 388.432 -0.587 20 0 GBADMM O=C([C@H]1CCCCO1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571286685 945954543 /nfs/dbraw/zinc/95/45/43/945954543.db2.gz OSUKWCMDNFCAEY-SJKOYZFVSA-N -1 1 388.432 -0.587 20 0 GBADMM O=C([C@@H]1CCCCO1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571286686 945954697 /nfs/dbraw/zinc/95/46/97/945954697.db2.gz OSUKWCMDNFCAEY-YVEFUNNKSA-N -1 1 388.432 -0.587 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)[C@H]3COCCO3)[C@H](C)C2)n1 ZINC001571286701 945956052 /nfs/dbraw/zinc/95/60/52/945956052.db2.gz PNGBBOGSTIWORX-MPKXVKKWSA-N -1 1 388.432 -0.431 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)[C@H]3COCCO3)[C@H](C)C2)n1 ZINC001571286701 945956044 /nfs/dbraw/zinc/95/60/44/945956044.db2.gz PNGBBOGSTIWORX-MPKXVKKWSA-N -1 1 388.432 -0.431 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)[C@@H]3COCCO3)[C@H](C)C2)n1 ZINC001571286702 945956352 /nfs/dbraw/zinc/95/63/52/945956352.db2.gz PNGBBOGSTIWORX-QKCSRTOESA-N -1 1 388.432 -0.431 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)[C@@H]3COCCO3)[C@H](C)C2)n1 ZINC001571286702 945956347 /nfs/dbraw/zinc/95/63/47/945956347.db2.gz PNGBBOGSTIWORX-QKCSRTOESA-N -1 1 388.432 -0.431 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@]2(CO)CCCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC001571286727 945957686 /nfs/dbraw/zinc/95/76/86/945957686.db2.gz PXUWJMALDAELJR-PXAZEXFGSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@]2(CO)CCCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC001571286727 945957678 /nfs/dbraw/zinc/95/76/78/945957678.db2.gz PXUWJMALDAELJR-PXAZEXFGSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@]2(CO)CCCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC001571286728 945958078 /nfs/dbraw/zinc/95/80/78/945958078.db2.gz PXUWJMALDAELJR-SJCJKPOMSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@]2(CO)CCCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC001571286728 945958071 /nfs/dbraw/zinc/95/80/71/945958071.db2.gz PXUWJMALDAELJR-SJCJKPOMSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@]2(CO)CCCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC001571286729 945958004 /nfs/dbraw/zinc/95/80/04/945958004.db2.gz PXUWJMALDAELJR-SJKOYZFVSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@]2(CO)CCCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC001571286729 945957998 /nfs/dbraw/zinc/95/79/98/945957998.db2.gz PXUWJMALDAELJR-SJKOYZFVSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nn[n-]n2)nc(N[C@]2(CO)CCCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC001571286730 945958055 /nfs/dbraw/zinc/95/80/55/945958055.db2.gz PXUWJMALDAELJR-YVEFUNNKSA-N -1 1 388.432 -0.233 20 0 GBADMM Cc1cc(-c2nnn[n-]2)nc(N[C@]2(CO)CCCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC001571286730 945958047 /nfs/dbraw/zinc/95/80/47/945958047.db2.gz PXUWJMALDAELJR-YVEFUNNKSA-N -1 1 388.432 -0.233 20 0 GBADMM O=C(c1csnn1)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571286731 945958786 /nfs/dbraw/zinc/95/87/86/945958786.db2.gz PYRUKFGRWNRFMJ-SECBINFHSA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1csnn1)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571286731 945958778 /nfs/dbraw/zinc/95/87/78/945958778.db2.gz PYRUKFGRWNRFMJ-SECBINFHSA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1csnn1)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571286732 945957806 /nfs/dbraw/zinc/95/78/06/945957806.db2.gz PYRUKFGRWNRFMJ-VIFPVBQESA-N -1 1 388.417 -0.149 20 0 GBADMM O=C(c1csnn1)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571286732 945957801 /nfs/dbraw/zinc/95/78/01/945957801.db2.gz PYRUKFGRWNRFMJ-VIFPVBQESA-N -1 1 388.417 -0.149 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)[C@H]1COCCO1)c1cncc(-c2nn[n-]n2)n1 ZINC001571286763 945957092 /nfs/dbraw/zinc/95/70/92/945957092.db2.gz QZDRIELUBYZNMW-GXTWGEPZSA-N -1 1 388.432 -0.111 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)[C@H]1COCCO1)c1cncc(-c2nnn[n-]2)n1 ZINC001571286763 945957083 /nfs/dbraw/zinc/95/70/83/945957083.db2.gz QZDRIELUBYZNMW-GXTWGEPZSA-N -1 1 388.432 -0.111 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)[C@@H]1COCCO1)c1cncc(-c2nn[n-]n2)n1 ZINC001571286764 945956806 /nfs/dbraw/zinc/95/68/06/945956806.db2.gz QZDRIELUBYZNMW-JSGCOSHPSA-N -1 1 388.432 -0.111 20 0 GBADMM CN(C[C@@H]1CCCCN1C(=O)[C@@H]1COCCO1)c1cncc(-c2nnn[n-]2)n1 ZINC001571286764 945956797 /nfs/dbraw/zinc/95/67/97/945956797.db2.gz QZDRIELUBYZNMW-JSGCOSHPSA-N -1 1 388.432 -0.111 20 0 GBADMM COC1CC(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCCO2)C1 ZINC001571286780 945958423 /nfs/dbraw/zinc/95/84/23/945958423.db2.gz RGNXFNCWXJCIOX-BPCQOVAHSA-N -1 1 388.432 -0.207 20 0 GBADMM COC1CC(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCCO2)C1 ZINC001571286780 945958411 /nfs/dbraw/zinc/95/84/11/945958411.db2.gz RGNXFNCWXJCIOX-BPCQOVAHSA-N -1 1 388.432 -0.207 20 0 GBADMM COC1CC(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCCO2)C1 ZINC001571286781 945957243 /nfs/dbraw/zinc/95/72/43/945957243.db2.gz RGNXFNCWXJCIOX-WXRRBKDZSA-N -1 1 388.432 -0.207 20 0 GBADMM COC1CC(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCCO2)C1 ZINC001571286781 945957234 /nfs/dbraw/zinc/95/72/34/945957234.db2.gz RGNXFNCWXJCIOX-WXRRBKDZSA-N -1 1 388.432 -0.207 20 0 GBADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001571286817 945959373 /nfs/dbraw/zinc/95/93/73/945959373.db2.gz SJQOPAKGLREFGQ-JTQLQIEISA-N -1 1 388.409 -0.111 20 0 GBADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001571286818 945960098 /nfs/dbraw/zinc/96/00/98/945960098.db2.gz SJQOPAKGLREFGQ-SNVBAGLBSA-N -1 1 388.409 -0.111 20 0 GBADMM CC[C@@H](OC)C(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571286824 945960997 /nfs/dbraw/zinc/96/09/97/945960997.db2.gz SNEYARXMCXUUBV-CXAGYDPISA-N -1 1 388.432 -0.111 20 0 GBADMM CC[C@@H](OC)C(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571286824 945960992 /nfs/dbraw/zinc/96/09/92/945960992.db2.gz SNEYARXMCXUUBV-CXAGYDPISA-N -1 1 388.432 -0.111 20 0 GBADMM CC[C@@H](OC)C(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571286825 945960323 /nfs/dbraw/zinc/96/03/23/945960323.db2.gz SNEYARXMCXUUBV-DYVFJYSZSA-N -1 1 388.432 -0.111 20 0 GBADMM CC[C@@H](OC)C(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571286825 945960319 /nfs/dbraw/zinc/96/03/19/945960319.db2.gz SNEYARXMCXUUBV-DYVFJYSZSA-N -1 1 388.432 -0.111 20 0 GBADMM CC[C@H](OC)C(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571286826 945959580 /nfs/dbraw/zinc/95/95/80/945959580.db2.gz SNEYARXMCXUUBV-GUYCJALGSA-N -1 1 388.432 -0.111 20 0 GBADMM CC[C@H](OC)C(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571286826 945959570 /nfs/dbraw/zinc/95/95/70/945959570.db2.gz SNEYARXMCXUUBV-GUYCJALGSA-N -1 1 388.432 -0.111 20 0 GBADMM CC[C@H](OC)C(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571286827 945960709 /nfs/dbraw/zinc/96/07/09/945960709.db2.gz SNEYARXMCXUUBV-SUMWQHHRSA-N -1 1 388.432 -0.111 20 0 GBADMM CC[C@H](OC)C(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571286827 945960704 /nfs/dbraw/zinc/96/07/04/945960704.db2.gz SNEYARXMCXUUBV-SUMWQHHRSA-N -1 1 388.432 -0.111 20 0 GBADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1OC ZINC001571286833 945959473 /nfs/dbraw/zinc/95/94/73/945959473.db2.gz SPWBYEDCKKJIBQ-FVCCEPFGSA-N -1 1 388.432 -0.208 20 0 GBADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1OC ZINC001571286833 945959468 /nfs/dbraw/zinc/95/94/68/945959468.db2.gz SPWBYEDCKKJIBQ-FVCCEPFGSA-N -1 1 388.432 -0.208 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCCc1nc2c(s1)CCC2 ZINC001571286847 945959929 /nfs/dbraw/zinc/95/99/29/945959929.db2.gz TUBFUVKOPAASAJ-UHFFFAOYSA-N -1 1 388.413 -0.567 20 0 GBADMM CCOC1CC(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571286866 945960151 /nfs/dbraw/zinc/96/01/51/945960151.db2.gz UDUKZPXNTKVSEK-CPCZMJQVSA-N -1 1 388.432 -0.207 20 0 GBADMM CCOC1CC(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571286866 945960141 /nfs/dbraw/zinc/96/01/41/945960141.db2.gz UDUKZPXNTKVSEK-CPCZMJQVSA-N -1 1 388.432 -0.207 20 0 GBADMM CCOC1CC(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571286867 945961131 /nfs/dbraw/zinc/96/11/31/945961131.db2.gz UDUKZPXNTKVSEK-OTTFEQOBSA-N -1 1 388.432 -0.207 20 0 GBADMM CCOC1CC(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571286867 945961123 /nfs/dbraw/zinc/96/11/23/945961123.db2.gz UDUKZPXNTKVSEK-OTTFEQOBSA-N -1 1 388.432 -0.207 20 0 GBADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001571286876 945961067 /nfs/dbraw/zinc/96/10/67/945961067.db2.gz UIQWSSQZNBQXNM-UPJWGTAASA-N -1 1 388.432 -0.207 20 0 GBADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001571286877 945960173 /nfs/dbraw/zinc/96/01/73/945960173.db2.gz UIQWSSQZNBQXNM-XQQFMLRXSA-N -1 1 388.432 -0.207 20 0 GBADMM Cc1nnsc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571286887 945962837 /nfs/dbraw/zinc/96/28/37/945962837.db2.gz URBJYURKUPKYNF-SECBINFHSA-N -1 1 388.417 -0.548 20 0 GBADMM Cc1nnsc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571286887 945962832 /nfs/dbraw/zinc/96/28/32/945962832.db2.gz URBJYURKUPKYNF-SECBINFHSA-N -1 1 388.417 -0.548 20 0 GBADMM Cc1nnsc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571286888 945962911 /nfs/dbraw/zinc/96/29/11/945962911.db2.gz URBJYURKUPKYNF-VIFPVBQESA-N -1 1 388.417 -0.548 20 0 GBADMM Cc1nnsc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571286888 945962906 /nfs/dbraw/zinc/96/29/06/945962906.db2.gz URBJYURKUPKYNF-VIFPVBQESA-N -1 1 388.417 -0.548 20 0 GBADMM O=C(C[C@H]1CCCCO1)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571286900 945962937 /nfs/dbraw/zinc/96/29/37/945962937.db2.gz UWIYSLNVEUNRHR-CHWSQXEVSA-N -1 1 388.432 -0.323 20 0 GBADMM O=C(C[C@H]1CCCCO1)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571286901 945963108 /nfs/dbraw/zinc/96/31/08/945963108.db2.gz UWIYSLNVEUNRHR-OLZOCXBDSA-N -1 1 388.432 -0.323 20 0 GBADMM O=C(C[C@@H]1CCCCO1)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571286902 945963094 /nfs/dbraw/zinc/96/30/94/945963094.db2.gz UWIYSLNVEUNRHR-QWHCGFSZSA-N -1 1 388.432 -0.323 20 0 GBADMM O=C(C[C@@H]1CCCCO1)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571286903 945963193 /nfs/dbraw/zinc/96/31/93/945963193.db2.gz UWIYSLNVEUNRHR-STQMWFEESA-N -1 1 388.432 -0.323 20 0 GBADMM O=C([C@@H]1CCOC1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286925 945963022 /nfs/dbraw/zinc/96/30/22/945963022.db2.gz VWNNOMUCHOAVLI-CHWSQXEVSA-N -1 1 388.432 -0.517 20 0 GBADMM O=C([C@@H]1CCOC1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286925 945963016 /nfs/dbraw/zinc/96/30/16/945963016.db2.gz VWNNOMUCHOAVLI-CHWSQXEVSA-N -1 1 388.432 -0.517 20 0 GBADMM O=C([C@@H]1CCOC1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286926 945962014 /nfs/dbraw/zinc/96/20/14/945962014.db2.gz VWNNOMUCHOAVLI-OLZOCXBDSA-N -1 1 388.432 -0.517 20 0 GBADMM O=C([C@@H]1CCOC1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286926 945962002 /nfs/dbraw/zinc/96/20/02/945962002.db2.gz VWNNOMUCHOAVLI-OLZOCXBDSA-N -1 1 388.432 -0.517 20 0 GBADMM O=C([C@H]1CCOC1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286927 945962162 /nfs/dbraw/zinc/96/21/62/945962162.db2.gz VWNNOMUCHOAVLI-QWHCGFSZSA-N -1 1 388.432 -0.517 20 0 GBADMM O=C([C@H]1CCOC1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286927 945962153 /nfs/dbraw/zinc/96/21/53/945962153.db2.gz VWNNOMUCHOAVLI-QWHCGFSZSA-N -1 1 388.432 -0.517 20 0 GBADMM O=C([C@H]1CCOC1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286928 945962868 /nfs/dbraw/zinc/96/28/68/945962868.db2.gz VWNNOMUCHOAVLI-STQMWFEESA-N -1 1 388.432 -0.517 20 0 GBADMM O=C([C@H]1CCOC1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286928 945962865 /nfs/dbraw/zinc/96/28/65/945962865.db2.gz VWNNOMUCHOAVLI-STQMWFEESA-N -1 1 388.432 -0.517 20 0 GBADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC ZINC001571286930 945962252 /nfs/dbraw/zinc/96/22/52/945962252.db2.gz VZIKCZMXWCVRHH-OPQSFPLASA-N -1 1 388.432 -0.208 20 0 GBADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC ZINC001571286930 945962242 /nfs/dbraw/zinc/96/22/42/945962242.db2.gz VZIKCZMXWCVRHH-OPQSFPLASA-N -1 1 388.432 -0.208 20 0 GBADMM CCOC1CC(CC(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)C1 ZINC001571286957 945962043 /nfs/dbraw/zinc/96/20/43/945962043.db2.gz WQOHDGBXOPFYIV-QUINOFQRSA-N -1 1 388.432 -0.472 20 0 GBADMM CCOC1CC(CC(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)C1 ZINC001571286957 945962034 /nfs/dbraw/zinc/96/20/34/945962034.db2.gz WQOHDGBXOPFYIV-QUINOFQRSA-N -1 1 388.432 -0.472 20 0 GBADMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C1(C)CCOCC1 ZINC001571286984 945966012 /nfs/dbraw/zinc/96/60/12/945966012.db2.gz 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C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001571287012 945965279 /nfs/dbraw/zinc/96/52/79/945965279.db2.gz XZSJHEATXJVSBO-DLBZAZTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001571287012 945965274 /nfs/dbraw/zinc/96/52/74/945965274.db2.gz XZSJHEATXJVSBO-DLBZAZTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001571287013 945964644 /nfs/dbraw/zinc/96/46/44/945964644.db2.gz XZSJHEATXJVSBO-IAGOWNOFSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001571287013 945964633 /nfs/dbraw/zinc/96/46/33/945964633.db2.gz XZSJHEATXJVSBO-IAGOWNOFSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001571287014 945965704 /nfs/dbraw/zinc/96/57/04/945965704.db2.gz XZSJHEATXJVSBO-IRXDYDNUSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3nccnc3-c3nnn[n-]3)C2)CCOC1 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388.432 -0.205 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)[C@@H]1CCCOCC1 ZINC001571287459 945973169 /nfs/dbraw/zinc/97/31/69/945973169.db2.gz DSEDWTYVIJLNSZ-CHWSQXEVSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)[C@@H]1CCCOCC1 ZINC001571287460 945973507 /nfs/dbraw/zinc/97/35/07/945973507.db2.gz DSEDWTYVIJLNSZ-OLZOCXBDSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)[C@@H]1CCCOCC1 ZINC001571287460 945973499 /nfs/dbraw/zinc/97/34/99/945973499.db2.gz DSEDWTYVIJLNSZ-OLZOCXBDSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)[C@H]1CCCOCC1 ZINC001571287461 945972238 /nfs/dbraw/zinc/97/22/38/945972238.db2.gz DSEDWTYVIJLNSZ-QWHCGFSZSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)[C@H]1CCCOCC1 ZINC001571287461 945972233 /nfs/dbraw/zinc/97/22/33/945972233.db2.gz DSEDWTYVIJLNSZ-QWHCGFSZSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)[C@H]1CCCOCC1 ZINC001571287462 945972501 /nfs/dbraw/zinc/97/25/01/945972501.db2.gz DSEDWTYVIJLNSZ-STQMWFEESA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)[C@H]1CCCOCC1 ZINC001571287462 945972490 /nfs/dbraw/zinc/97/24/90/945972490.db2.gz DSEDWTYVIJLNSZ-STQMWFEESA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCC(O)CC1 ZINC001571287786 945977398 /nfs/dbraw/zinc/97/73/98/945977398.db2.gz HZFSNAXFCBCGPA-BPCQOVAHSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCC(O)CC1 ZINC001571287786 945977386 /nfs/dbraw/zinc/97/73/86/945977386.db2.gz HZFSNAXFCBCGPA-BPCQOVAHSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCC(O)CC1 ZINC001571287787 945977696 /nfs/dbraw/zinc/97/76/96/945977696.db2.gz HZFSNAXFCBCGPA-WXRRBKDZSA-N -1 1 388.432 -0.471 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCC(O)CC1 ZINC001571287787 945977683 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388.432 -0.205 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCOCC1 ZINC001571287993 945980996 /nfs/dbraw/zinc/98/09/96/945980996.db2.gz KSNROZRXRKPAMI-QWHCGFSZSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCOCC1 ZINC001571287994 945979845 /nfs/dbraw/zinc/97/98/45/945979845.db2.gz KSNROZRXRKPAMI-STQMWFEESA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCOCC1 ZINC001571287994 945979840 /nfs/dbraw/zinc/97/98/40/945979840.db2.gz KSNROZRXRKPAMI-STQMWFEESA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)[C@H]1CCCCO1 ZINC001571288001 945980628 /nfs/dbraw/zinc/98/06/28/945980628.db2.gz LBJNFSJMSWXJKN-CHWSQXEVSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)[C@H]1CCCCO1 ZINC001571288001 945980621 /nfs/dbraw/zinc/98/06/21/945980621.db2.gz LBJNFSJMSWXJKN-CHWSQXEVSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)[C@@H]1CCCCO1 ZINC001571288002 945980505 /nfs/dbraw/zinc/98/05/05/945980505.db2.gz LBJNFSJMSWXJKN-OLZOCXBDSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)[C@@H]1CCCCO1 ZINC001571288002 945980496 /nfs/dbraw/zinc/98/04/96/945980496.db2.gz LBJNFSJMSWXJKN-OLZOCXBDSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)[C@H]1CCCCO1 ZINC001571288003 945979957 /nfs/dbraw/zinc/97/99/57/945979957.db2.gz LBJNFSJMSWXJKN-QWHCGFSZSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)[C@H]1CCCCO1 ZINC001571288003 945979948 /nfs/dbraw/zinc/97/99/48/945979948.db2.gz LBJNFSJMSWXJKN-QWHCGFSZSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)[C@@H]1CCCCO1 ZINC001571288004 945980820 /nfs/dbraw/zinc/98/08/20/945980820.db2.gz LBJNFSJMSWXJKN-STQMWFEESA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)[C@@H]1CCCCO1 ZINC001571288004 945980816 /nfs/dbraw/zinc/98/08/16/945980816.db2.gz LBJNFSJMSWXJKN-STQMWFEESA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)[C@H]1COCCO1 ZINC001571288100 945982661 /nfs/dbraw/zinc/98/26/61/945982661.db2.gz MEZUYGIHCJSORC-CHWSQXEVSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)[C@H]1COCCO1 ZINC001571288100 945982655 /nfs/dbraw/zinc/98/26/55/945982655.db2.gz MEZUYGIHCJSORC-CHWSQXEVSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1COCCO1 ZINC001571288102 945982290 /nfs/dbraw/zinc/98/22/90/945982290.db2.gz MEZUYGIHCJSORC-OLZOCXBDSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1COCCO1 ZINC001571288102 945982286 /nfs/dbraw/zinc/98/22/86/945982286.db2.gz MEZUYGIHCJSORC-OLZOCXBDSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)[C@H]1COCCO1 ZINC001571288105 945982677 /nfs/dbraw/zinc/98/26/77/945982677.db2.gz MEZUYGIHCJSORC-QWHCGFSZSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)[C@H]1COCCO1 ZINC001571288105 945982672 /nfs/dbraw/zinc/98/26/72/945982672.db2.gz MEZUYGIHCJSORC-QWHCGFSZSA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1COCCO1 ZINC001571288107 945983687 /nfs/dbraw/zinc/98/36/87/945983687.db2.gz MEZUYGIHCJSORC-STQMWFEESA-N -1 1 388.432 -0.063 20 0 GBADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1COCCO1 ZINC001571288107 945983679 /nfs/dbraw/zinc/98/36/79/945983679.db2.gz MEZUYGIHCJSORC-STQMWFEESA-N -1 1 388.432 -0.063 20 0 GBADMM CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571288108 945982511 /nfs/dbraw/zinc/98/25/11/945982511.db2.gz MFRAXIRWRWOEGF-MNOVXSKESA-N -1 1 388.436 -0.613 20 0 GBADMM CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571288108 945982505 /nfs/dbraw/zinc/98/25/05/945982505.db2.gz MFRAXIRWRWOEGF-MNOVXSKESA-N -1 1 388.436 -0.613 20 0 GBADMM CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571288111 945982693 /nfs/dbraw/zinc/98/26/93/945982693.db2.gz MFRAXIRWRWOEGF-QWRGUYRKSA-N -1 1 388.436 -0.613 20 0 GBADMM CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571288111 945982690 /nfs/dbraw/zinc/98/26/90/945982690.db2.gz MFRAXIRWRWOEGF-QWRGUYRKSA-N -1 1 388.436 -0.613 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)[C@@H]1CCCOC1 ZINC001571289168 945994980 /nfs/dbraw/zinc/99/49/80/945994980.db2.gz WHGMMKBCBZQRDM-CHWSQXEVSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)[C@@H]1CCCOC1 ZINC001571289168 945994971 /nfs/dbraw/zinc/99/49/71/945994971.db2.gz WHGMMKBCBZQRDM-CHWSQXEVSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)[C@@H]1CCCOC1 ZINC001571289170 945996139 /nfs/dbraw/zinc/99/61/39/945996139.db2.gz WHGMMKBCBZQRDM-OLZOCXBDSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)[C@@H]1CCCOC1 ZINC001571289170 945996127 /nfs/dbraw/zinc/99/61/27/945996127.db2.gz WHGMMKBCBZQRDM-OLZOCXBDSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)[C@H]1CCCOC1 ZINC001571289171 945994790 /nfs/dbraw/zinc/99/47/90/945994790.db2.gz WHGMMKBCBZQRDM-QWHCGFSZSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)[C@H]1CCCOC1 ZINC001571289171 945994782 /nfs/dbraw/zinc/99/47/82/945994782.db2.gz WHGMMKBCBZQRDM-QWHCGFSZSA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)[C@H]1CCCOC1 ZINC001571289173 945994769 /nfs/dbraw/zinc/99/47/69/945994769.db2.gz WHGMMKBCBZQRDM-STQMWFEESA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)[C@H]1CCCOC1 ZINC001571289173 945994762 /nfs/dbraw/zinc/99/47/62/945994762.db2.gz WHGMMKBCBZQRDM-STQMWFEESA-N -1 1 388.432 -0.205 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001571289263 946000074 /nfs/dbraw/zinc/00/00/74/946000074.db2.gz YOEWELNNBDOFIY-GFCCVEGCSA-N -1 1 388.436 -0.355 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001571289264 946000256 /nfs/dbraw/zinc/00/02/56/946000256.db2.gz YOEWELNNBDOFIY-LBPRGKRZSA-N -1 1 388.436 -0.355 20 0 GBADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC001571289522 946009578 /nfs/dbraw/zinc/00/95/78/946009578.db2.gz GSGRPJMCWZSCGH-DCAQKATOSA-N -1 1 388.457 -0.101 20 0 GBADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC001571289523 946009111 /nfs/dbraw/zinc/00/91/11/946009111.db2.gz GSGRPJMCWZSCGH-VWYCJHECSA-N -1 1 388.457 -0.101 20 0 GBADMM Cc1nsc(N2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571290154 946033082 /nfs/dbraw/zinc/03/30/82/946033082.db2.gz WHUFWUHTSHJHOV-HBNTYKKESA-N -1 1 388.457 -0.053 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ncc(F)cc1F ZINC001571290312 946038416 /nfs/dbraw/zinc/03/84/16/946038416.db2.gz AFOZPWFQLFPCEF-NXEZZACHSA-N -1 1 389.326 -0.691 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ncc(F)cc1F ZINC001571290312 946038403 /nfs/dbraw/zinc/03/84/03/946038403.db2.gz AFOZPWFQLFPCEF-NXEZZACHSA-N -1 1 389.326 -0.691 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1c(F)cncc1F ZINC001571290426 946042180 /nfs/dbraw/zinc/04/21/80/946042180.db2.gz DMLHCLJTNFJSFO-MNOVXSKESA-N -1 1 389.326 -0.691 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1c(F)cncc1F ZINC001571290426 946042169 /nfs/dbraw/zinc/04/21/69/946042169.db2.gz DMLHCLJTNFJSFO-MNOVXSKESA-N -1 1 389.326 -0.691 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1c(F)cncc1F ZINC001571290430 946042889 /nfs/dbraw/zinc/04/28/89/946042889.db2.gz DRDKZSMQXGDUTC-ZJUUUORDSA-N -1 1 389.326 -0.691 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1c(F)cncc1F ZINC001571290430 946042876 /nfs/dbraw/zinc/04/28/76/946042876.db2.gz DRDKZSMQXGDUTC-ZJUUUORDSA-N -1 1 389.326 -0.691 20 0 GBADMM O=S(=O)(NC[C@@H](n1cncn1)C(F)(F)F)c1cccnc1-c1nn[n-]n1 ZINC001571290433 946043332 /nfs/dbraw/zinc/04/33/32/946043332.db2.gz DVWGMDBQWXROIM-MRVPVSSYSA-N -1 1 389.323 -0.065 20 0 GBADMM O=S(=O)(NC[C@H](n1cncn1)C(F)(F)F)c1cccnc1-c1nn[n-]n1 ZINC001571290434 946042550 /nfs/dbraw/zinc/04/25/50/946042550.db2.gz DVWGMDBQWXROIM-QMMMGPOBSA-N -1 1 389.323 -0.065 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ncc(F)cc1F ZINC001571290493 946044330 /nfs/dbraw/zinc/04/43/30/946044330.db2.gz GQNXHTKLJODIEU-GHMZBOCLSA-N -1 1 389.326 -0.691 20 0 GBADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ncc(F)cc1F ZINC001571290493 946044319 /nfs/dbraw/zinc/04/43/19/946044319.db2.gz GQNXHTKLJODIEU-GHMZBOCLSA-N -1 1 389.326 -0.691 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC001571290547 946047575 /nfs/dbraw/zinc/04/75/75/946047575.db2.gz INSQZRCESSHPAN-APPZFPTMSA-N -1 1 389.294 -0.957 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC001571290548 946048849 /nfs/dbraw/zinc/04/88/49/946048849.db2.gz INSQZRCESSHPAN-CBAPKCEASA-N -1 1 389.294 -0.957 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001571290549 946047154 /nfs/dbraw/zinc/04/71/54/946047154.db2.gz INSQZRCESSHPAN-IONNQARKSA-N -1 1 389.294 -0.957 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC001571290550 946046418 /nfs/dbraw/zinc/04/64/18/946046418.db2.gz INSQZRCESSHPAN-VXNVDRBHSA-N -1 1 389.294 -0.957 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCc2cc(F)cc(F)c2C1 ZINC001571290654 946050630 /nfs/dbraw/zinc/05/06/30/946050630.db2.gz KVOXXASKBOSQOR-UHFFFAOYSA-N -1 1 389.322 -0.008 20 0 GBADMM COC(=O)[C@@]1(C(F)(F)F)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001571290780 946056261 /nfs/dbraw/zinc/05/62/61/946056261.db2.gz OUDRLICNFKZBLN-GFCCVEGCSA-N -1 1 389.294 -0.815 20 0 GBADMM COC(=O)[C@]1(C(F)(F)F)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001571290781 946057826 /nfs/dbraw/zinc/05/78/26/946057826.db2.gz OUDRLICNFKZBLN-LBPRGKRZSA-N -1 1 389.294 -0.815 20 0 GBADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1c(F)cncc1F ZINC001571290787 946057125 /nfs/dbraw/zinc/05/71/25/946057125.db2.gz OZIJQJWVSBEZBC-NXEZZACHSA-N -1 1 389.326 -0.691 20 0 GBADMM CN1CCOC[C@]1(CO)CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571290805 946057063 /nfs/dbraw/zinc/05/70/63/946057063.db2.gz PQLXMDPNVVIWJV-GFCCVEGCSA-N -1 1 388.841 -0.209 20 0 GBADMM CN1CCOC[C@@]1(CO)CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571290806 946058133 /nfs/dbraw/zinc/05/81/33/946058133.db2.gz PQLXMDPNVVIWJV-LBPRGKRZSA-N -1 1 388.841 -0.209 20 0 GBADMM O=C(Cn1cc(Cl)cn1)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290846 946057960 /nfs/dbraw/zinc/05/79/60/946057960.db2.gz QRYQDRMUURWQNO-UHFFFAOYSA-N -1 1 388.823 -0.065 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCOC[C@H](C2CCC2)C1 ZINC001571291100 946069581 /nfs/dbraw/zinc/06/95/81/946069581.db2.gz BBPDXVVYRMEBSS-GFCCVEGCSA-N -1 1 389.416 -0.206 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCOC[C@@H](C2CCC2)C1 ZINC001571291101 946069081 /nfs/dbraw/zinc/06/90/81/946069081.db2.gz BBPDXVVYRMEBSS-LBPRGKRZSA-N -1 1 389.416 -0.206 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC001571291146 946067995 /nfs/dbraw/zinc/06/79/95/946067995.db2.gz DDUPOZJJFBZTBY-BXUZGUMPSA-N -1 1 389.416 -0.160 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC001571291147 946068888 /nfs/dbraw/zinc/06/88/88/946068888.db2.gz DDUPOZJJFBZTBY-FZMZJTMJSA-N -1 1 389.416 -0.160 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC001571291148 946069190 /nfs/dbraw/zinc/06/91/90/946069190.db2.gz DDUPOZJJFBZTBY-RISCZKNCSA-N -1 1 389.416 -0.160 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC001571291149 946068202 /nfs/dbraw/zinc/06/82/02/946068202.db2.gz DDUPOZJJFBZTBY-SMDDNHRTSA-N -1 1 389.416 -0.160 20 0 GBADMM O=C(Cn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O)N(C1CC1)C1CCCC1 ZINC001571291172 946068926 /nfs/dbraw/zinc/06/89/26/946068926.db2.gz FKWIJKOKRJJRQG-UHFFFAOYSA-N -1 1 389.416 -0.884 20 0 GBADMM O=C(CO)NCCC(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001571291192 946071901 /nfs/dbraw/zinc/07/19/01/946071901.db2.gz FVVFGIBHRDODDO-UHFFFAOYSA-N -1 1 389.416 -0.434 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N[C@@H]3CCN(C(N)=O)C3)CC2)o1 ZINC001571291200 946072437 /nfs/dbraw/zinc/07/24/37/946072437.db2.gz GDXBROBEYRMLIX-LLVKDONJSA-N -1 1 389.420 -0.351 20 0 GBADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N[C@H]3CCN(C(N)=O)C3)CC2)o1 ZINC001571291201 946072799 /nfs/dbraw/zinc/07/27/99/946072799.db2.gz GDXBROBEYRMLIX-NSHDSACASA-N -1 1 389.420 -0.351 20 0 GBADMM CN(C[C@]12CCC[C@H]1OCC2)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571291204 946071383 /nfs/dbraw/zinc/07/13/83/946071383.db2.gz GESKBIWAJASTGI-SJKOYZFVSA-N -1 1 389.416 -0.063 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)sn1 ZINC001571291214 946070665 /nfs/dbraw/zinc/07/06/65/946070665.db2.gz GJXSDJKSMOETTF-HTQZYQBOSA-N -1 1 389.401 -0.899 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1CCOCC12CCCC2 ZINC001571291215 946070699 /nfs/dbraw/zinc/07/06/99/946070699.db2.gz GKDGGQUCJZUCJY-GFCCVEGCSA-N -1 1 389.416 -0.015 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1CCOCC12CCCC2 ZINC001571291216 946071341 /nfs/dbraw/zinc/07/13/41/946071341.db2.gz GKDGGQUCJZUCJY-LBPRGKRZSA-N -1 1 389.416 -0.015 20 0 GBADMM COc1ncc(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1-c1nn[n-]n1 ZINC001571291229 946073189 /nfs/dbraw/zinc/07/31/89/946073189.db2.gz GSALHEFDHFJSEL-UHFFFAOYSA-N -1 1 389.420 -0.316 20 0 GBADMM NC(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)s1 ZINC001571291230 946072346 /nfs/dbraw/zinc/07/23/46/946072346.db2.gz GUHNCFQPXNNSGD-UHFFFAOYSA-N -1 1 389.401 -0.161 20 0 GBADMM NC(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)s1 ZINC001571291230 946072338 /nfs/dbraw/zinc/07/23/38/946072338.db2.gz GUHNCFQPXNNSGD-UHFFFAOYSA-N -1 1 389.401 -0.161 20 0 GBADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC(CO)(C(F)(F)F)CC1 ZINC001571291402 946074003 /nfs/dbraw/zinc/07/40/03/946074003.db2.gz IZUGZKNIJTXQQZ-UHFFFAOYSA-N -1 1 389.342 -0.195 20 0 GBADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)c1-c1nn[n-]n1 ZINC001571291424 946074602 /nfs/dbraw/zinc/07/46/02/946074602.db2.gz JPBBHZDYCMVHPH-RKDXNWHRSA-N -1 1 389.401 -0.893 20 0 GBADMM COC(=O)[C@]12C[C@H]1CCCN2C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571291438 946078298 /nfs/dbraw/zinc/07/82/98/946078298.db2.gz KCHCRSAGWQIBNU-ABKXIKBNSA-N -1 1 389.372 -0.927 20 0 GBADMM O=C(NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1csc(=O)[nH]1 ZINC001571291453 946077027 /nfs/dbraw/zinc/07/70/27/946077027.db2.gz KJXNAFWVKOYYSW-MRVPVSSYSA-N -1 1 389.401 -0.546 20 0 GBADMM O=C(NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1csc(=O)[nH]1 ZINC001571291454 946078547 /nfs/dbraw/zinc/07/85/47/946078547.db2.gz KJXNAFWVKOYYSW-QMMMGPOBSA-N -1 1 389.401 -0.546 20 0 GBADMM O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001571291459 946078103 /nfs/dbraw/zinc/07/81/03/946078103.db2.gz KWYUNBRTAMJLCR-SSDOTTSWSA-N -1 1 389.401 -0.471 20 0 GBADMM O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001571291460 946077077 /nfs/dbraw/zinc/07/70/77/946077077.db2.gz KWYUNBRTAMJLCR-ZETCQYMHSA-N -1 1 389.401 -0.471 20 0 GBADMM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571291549 946076997 /nfs/dbraw/zinc/07/69/97/946076997.db2.gz LCAKPCSABNKBNM-VHSXEESVSA-N -1 1 389.372 -0.898 20 0 GBADMM O=C(NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)c1csc(=O)[nH]1 ZINC001571291606 946078476 /nfs/dbraw/zinc/07/84/76/946078476.db2.gz MQKKFIWPPKGAGC-MRVPVSSYSA-N -1 1 389.401 -0.546 20 0 GBADMM O=C(NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)c1csc(=O)[nH]1 ZINC001571291607 946078338 /nfs/dbraw/zinc/07/83/38/946078338.db2.gz MQKKFIWPPKGAGC-QMMMGPOBSA-N -1 1 389.401 -0.546 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CC(CC2CCOCC2)C1 ZINC001571291643 946079910 /nfs/dbraw/zinc/07/99/10/946079910.db2.gz NRSHYVLQPGYANP-UHFFFAOYSA-N -1 1 389.416 -0.206 20 0 GBADMM C[C@@H](Oc1cccc(F)c1)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571291782 946080792 /nfs/dbraw/zinc/08/07/92/946080792.db2.gz OUOVOYGINYHZEG-SECBINFHSA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@H](Oc1cccc(F)c1)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571291783 946082089 /nfs/dbraw/zinc/08/20/89/946082089.db2.gz OUOVOYGINYHZEG-VIFPVBQESA-N -1 1 389.347 -0.148 20 0 GBADMM CCO[C@H]1C[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C12CCC2 ZINC001571291786 946080389 /nfs/dbraw/zinc/08/03/89/946080389.db2.gz PAULTFCUOKXVKZ-NEPJUHHUSA-N -1 1 389.416 -0.017 20 0 GBADMM CCO[C@@H]1C[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C12CCC2 ZINC001571291787 946080127 /nfs/dbraw/zinc/08/01/27/946080127.db2.gz PAULTFCUOKXVKZ-NWDGAFQWSA-N -1 1 389.416 -0.017 20 0 GBADMM CCO[C@H]1C[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C12CCC2 ZINC001571291788 946081439 /nfs/dbraw/zinc/08/14/39/946081439.db2.gz PAULTFCUOKXVKZ-RYUDHWBXSA-N -1 1 389.416 -0.017 20 0 GBADMM CCO[C@@H]1C[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C12CCC2 ZINC001571291789 946080933 /nfs/dbraw/zinc/08/09/33/946080933.db2.gz PAULTFCUOKXVKZ-VXGBXAGGSA-N -1 1 389.416 -0.017 20 0 GBADMM CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCCn1cnc(-c3nn[n-]n3)n1)C2 ZINC001571291820 946083660 /nfs/dbraw/zinc/08/36/60/946083660.db2.gz QHHZUPDWYVXXTR-UHFFFAOYSA-N -1 1 389.420 -0.026 20 0 GBADMM C[S@@](=O)c1ccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571291964 946083350 /nfs/dbraw/zinc/08/33/50/946083350.db2.gz RLQKGGXXNMZWJJ-HHHXNRCGSA-N -1 1 389.397 -0.105 20 0 GBADMM C[S@](=O)c1ccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571291965 946083862 /nfs/dbraw/zinc/08/38/62/946083862.db2.gz RLQKGGXXNMZWJJ-MHZLTWQESA-N -1 1 389.397 -0.105 20 0 GBADMM CN(CCOc1ccccc1F)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571291992 946086130 /nfs/dbraw/zinc/08/61/30/946086130.db2.gz RZPQZURZDVZNQD-UHFFFAOYSA-N -1 1 389.347 -0.195 20 0 GBADMM C[S@@](=O)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571292022 946087016 /nfs/dbraw/zinc/08/70/16/946087016.db2.gz SUAIUIDGAYYRRK-HHHXNRCGSA-N -1 1 389.397 -0.704 20 0 GBADMM C[S@](=O)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571292023 946085555 /nfs/dbraw/zinc/08/55/55/946085555.db2.gz SUAIUIDGAYYRRK-MHZLTWQESA-N -1 1 389.397 -0.704 20 0 GBADMM COC(=O)C[C@@H](C)N1CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CC1 ZINC001571292025 946087251 /nfs/dbraw/zinc/08/72/51/946087251.db2.gz SVJBNLVUKKOSGU-LLVKDONJSA-N -1 1 389.416 -0.015 20 0 GBADMM COC(=O)C[C@H](C)N1CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CC1 ZINC001571292026 946088269 /nfs/dbraw/zinc/08/82/69/946088269.db2.gz SVJBNLVUKKOSGU-NSHDSACASA-N -1 1 389.416 -0.015 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001571292044 946087319 /nfs/dbraw/zinc/08/73/19/946087319.db2.gz TZNWMTUQQPTJIH-NEPJUHHUSA-N -1 1 389.416 -0.206 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001571292045 946085843 /nfs/dbraw/zinc/08/58/43/946085843.db2.gz TZNWMTUQQPTJIH-NWDGAFQWSA-N -1 1 389.416 -0.206 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001571292046 946086874 /nfs/dbraw/zinc/08/68/74/946086874.db2.gz TZNWMTUQQPTJIH-RYUDHWBXSA-N -1 1 389.416 -0.206 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001571292047 946088193 /nfs/dbraw/zinc/08/81/93/946088193.db2.gz TZNWMTUQQPTJIH-VXGBXAGGSA-N -1 1 389.416 -0.206 20 0 GBADMM C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](O)c1cccc(F)c1 ZINC001571292051 946085799 /nfs/dbraw/zinc/08/57/99/946085799.db2.gz UBQQQRQIDLOFQI-AMIZOPFISA-N -1 1 389.347 -0.494 20 0 GBADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](O)c1cccc(F)c1 ZINC001571292052 946085488 /nfs/dbraw/zinc/08/54/88/946085488.db2.gz UBQQQRQIDLOFQI-ISVAXAHUSA-N -1 1 389.347 -0.494 20 0 GBADMM C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H](O)c1cccc(F)c1 ZINC001571292053 946087875 /nfs/dbraw/zinc/08/78/75/946087875.db2.gz UBQQQRQIDLOFQI-OQPBUACISA-N -1 1 389.347 -0.494 20 0 GBADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H](O)c1cccc(F)c1 ZINC001571292054 946091154 /nfs/dbraw/zinc/09/11/54/946091154.db2.gz UBQQQRQIDLOFQI-SDBXPKJASA-N -1 1 389.347 -0.494 20 0 GBADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(C(=O)N2CCOCC2)CCCCC1 ZINC001571292063 946089095 /nfs/dbraw/zinc/08/90/95/946089095.db2.gz UEOFGXQVQZEBMQ-UHFFFAOYSA-N -1 1 389.420 -0.864 20 0 GBADMM CSc1[nH]c(=O)c(C(=O)N2CC(O)(c3ncnn3C)C2)cc1-c1nn[n-]n1 ZINC001571292151 946089135 /nfs/dbraw/zinc/08/91/35/946089135.db2.gz UQJYHPUEWBTVIR-UHFFFAOYSA-N -1 1 389.401 -0.839 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001571292222 946089173 /nfs/dbraw/zinc/08/91/73/946089173.db2.gz VTSCBTWUSSOUSZ-APPZFPTMSA-N -1 1 389.401 -0.812 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001571292223 946089514 /nfs/dbraw/zinc/08/95/14/946089514.db2.gz VTSCBTWUSSOUSZ-CBAPKCEASA-N -1 1 389.401 -0.812 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001571292224 946089981 /nfs/dbraw/zinc/08/99/81/946089981.db2.gz VTSCBTWUSSOUSZ-IONNQARKSA-N -1 1 389.401 -0.812 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001571292225 946089307 /nfs/dbraw/zinc/08/93/07/946089307.db2.gz VTSCBTWUSSOUSZ-VXNVDRBHSA-N -1 1 389.401 -0.812 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)sn1 ZINC001571292248 946093402 /nfs/dbraw/zinc/09/34/02/946093402.db2.gz WJYFZTRLOOTPQU-BDAKNGLRSA-N -1 1 389.401 -0.899 20 0 GBADMM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)sn1 ZINC001571292248 946093392 /nfs/dbraw/zinc/09/33/92/946093392.db2.gz WJYFZTRLOOTPQU-BDAKNGLRSA-N -1 1 389.401 -0.899 20 0 GBADMM CO[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC001571292250 946093485 /nfs/dbraw/zinc/09/34/85/946093485.db2.gz WNOSOSZQFKGVGJ-GFCCVEGCSA-N -1 1 389.347 -0.228 20 0 GBADMM CO[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC001571292251 946091844 /nfs/dbraw/zinc/09/18/44/946091844.db2.gz WNOSOSZQFKGVGJ-LBPRGKRZSA-N -1 1 389.347 -0.228 20 0 GBADMM CC(=O)N1CCC[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1 ZINC001571292263 946092726 /nfs/dbraw/zinc/09/27/26/946092726.db2.gz WXDRCDXWVDBAGZ-LLVKDONJSA-N -1 1 389.420 -0.377 20 0 GBADMM CC(=O)N1CCC[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1 ZINC001571292263 946092714 /nfs/dbraw/zinc/09/27/14/946092714.db2.gz WXDRCDXWVDBAGZ-LLVKDONJSA-N -1 1 389.420 -0.377 20 0 GBADMM CC(=O)N1CCC[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1 ZINC001571292270 946091904 /nfs/dbraw/zinc/09/19/04/946091904.db2.gz WXDRCDXWVDBAGZ-NSHDSACASA-N -1 1 389.420 -0.377 20 0 GBADMM CC(=O)N1CCC[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1 ZINC001571292270 946091895 /nfs/dbraw/zinc/09/18/95/946091895.db2.gz WXDRCDXWVDBAGZ-NSHDSACASA-N -1 1 389.420 -0.377 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1(C2(O)CCC2)CCC1 ZINC001571292392 946094488 /nfs/dbraw/zinc/09/44/88/946094488.db2.gz YVFRRFHEAGFPBS-UHFFFAOYSA-N -1 1 389.416 -0.279 20 0 GBADMM COCc1ccc([C@@H]2COCCN2c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)o1 ZINC001571292427 946096268 /nfs/dbraw/zinc/09/62/68/946096268.db2.gz ZLGGSQBLAGCLAN-JTQLQIEISA-N -1 1 389.372 -0.429 20 0 GBADMM COCc1ccc([C@H]2COCCN2c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)o1 ZINC001571292433 946096180 /nfs/dbraw/zinc/09/61/80/946096180.db2.gz ZLGGSQBLAGCLAN-SNVBAGLBSA-N -1 1 389.372 -0.429 20 0 GBADMM Cc1nsc(N2CCC(N(C)C(=O)Cn3cnnn3)CC2)c1-c1nn[n-]n1 ZINC001571293258 946100508 /nfs/dbraw/zinc/10/05/08/946100508.db2.gz CMRJGSOYDVPIMQ-UHFFFAOYSA-N -1 1 389.449 -0.254 20 0 GBADMM Cn1cnc(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)n1 ZINC001571293321 946101034 /nfs/dbraw/zinc/10/10/34/946101034.db2.gz FJHUBMBFMIWOQO-JTQLQIEISA-N -1 1 389.445 -0.313 20 0 GBADMM Cn1cnc(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)n1 ZINC001571293322 946100632 /nfs/dbraw/zinc/10/06/32/946100632.db2.gz FJHUBMBFMIWOQO-SNVBAGLBSA-N -1 1 389.445 -0.313 20 0 GBADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001571293372 946102761 /nfs/dbraw/zinc/10/27/61/946102761.db2.gz GPCCFFHTXNXEFM-GHMZBOCLSA-N -1 1 389.445 -0.083 20 0 GBADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CNC(=O)N2)c1-c1nn[n-]n1 ZINC001571293538 946109024 /nfs/dbraw/zinc/10/90/24/946109024.db2.gz KPUSYBREUQZLGV-AEJSXWLSSA-N -1 1 389.445 -0.507 20 0 GBADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CNC(=O)N2)c1-c1nn[n-]n1 ZINC001571293539 946109331 /nfs/dbraw/zinc/10/93/31/946109331.db2.gz KPUSYBREUQZLGV-KXUCPTDWSA-N -1 1 389.445 -0.507 20 0 GBADMM Cc1nsc(N2CC[C@H](NC(=O)c3cn(C)c(=O)n3C)C2)c1-c1nn[n-]n1 ZINC001571293757 946115426 /nfs/dbraw/zinc/11/54/26/946115426.db2.gz QRWVIQYEIHBPDI-VIFPVBQESA-N -1 1 389.445 -0.322 20 0 GBADMM Cc1nsc(NC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571293766 946116521 /nfs/dbraw/zinc/11/65/21/946116521.db2.gz RBTPGDXGDIROKQ-PSASIEDQSA-N -1 1 389.449 -0.175 20 0 GBADMM Cc1cnn(C)c1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O ZINC001571293778 946115700 /nfs/dbraw/zinc/11/57/00/946115700.db2.gz RJJAPAQBVALHFM-NXEZZACHSA-N -1 1 389.445 -0.347 20 0 GBADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)Cn3cnnn3)C2)c1-c1nn[n-]n1 ZINC001571294078 946124879 /nfs/dbraw/zinc/12/48/79/946124879.db2.gz ZWGKCFQPPMYEFV-AWEZNQCLSA-N -1 1 389.449 -0.031 20 0 GBADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)Cn3cnnn3)C2)c1-c1nn[n-]n1 ZINC001571294079 946126213 /nfs/dbraw/zinc/12/62/13/946126213.db2.gz ZWGKCFQPPMYEFV-CQSZACIVSA-N -1 1 389.449 -0.031 20 0 GBADMM O=C(c1ccnn1CC(F)F)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571294394 946134701 /nfs/dbraw/zinc/13/47/01/946134701.db2.gz DNAFPYNVOGQIST-SECBINFHSA-N -1 1 390.358 -0.133 20 0 GBADMM O=C(c1ccnn1CC(F)F)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571294395 946134556 /nfs/dbraw/zinc/13/45/56/946134556.db2.gz DNAFPYNVOGQIST-VIFPVBQESA-N -1 1 390.358 -0.133 20 0 GBADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001571294595 946139240 /nfs/dbraw/zinc/13/92/40/946139240.db2.gz JYCLNJNKBWLTDK-PWSUYJOCSA-N -1 1 389.807 -0.372 20 0 GBADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571294595 946139239 /nfs/dbraw/zinc/13/92/39/946139239.db2.gz JYCLNJNKBWLTDK-PWSUYJOCSA-N -1 1 389.807 -0.372 20 0 GBADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571294596 946139034 /nfs/dbraw/zinc/13/90/34/946139034.db2.gz JYCLNJNKBWLTDK-ZYHUDNBSSA-N -1 1 389.807 -0.372 20 0 GBADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571294596 946139030 /nfs/dbraw/zinc/13/90/30/946139030.db2.gz JYCLNJNKBWLTDK-ZYHUDNBSSA-N -1 1 389.807 -0.372 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccn(CC(F)F)n1 ZINC001571294650 946140419 /nfs/dbraw/zinc/14/04/19/946140419.db2.gz KRYWVRPSDPPQIT-KYZUINATSA-N -1 1 390.358 -0.087 20 0 GBADMM Cn1c(=O)[nH]c(N2CCN(c3cc(Cl)ccn3)CC2)c(-c2nn[n-]n2)c1=O ZINC001571294875 946147104 /nfs/dbraw/zinc/14/71/04/946147104.db2.gz OSEAOEXHRKSCGC-UHFFFAOYSA-N -1 1 389.807 -0.371 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccnn1CC(F)F ZINC001571295098 946154301 /nfs/dbraw/zinc/15/43/01/946154301.db2.gz SSERLZTWKJMFNN-KYZUINATSA-N -1 1 390.358 -0.087 20 0 GBADMM CCn1cc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]2O)nn1 ZINC001571295688 946172892 /nfs/dbraw/zinc/17/28/92/946172892.db2.gz CFLJZSBIFLZSTB-PSASIEDQSA-N -1 1 390.433 -0.777 20 0 GBADMM Cn1nccc1C1(O)CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CC1 ZINC001571295759 946175155 /nfs/dbraw/zinc/17/51/55/946175155.db2.gz FCSYWLCSYUIEQU-UHFFFAOYSA-N -1 1 390.429 -0.333 20 0 GBADMM COCc1nc2n(n1)C[C@H](NC(=O)NCc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001571295768 946173798 /nfs/dbraw/zinc/17/37/98/946173798.db2.gz FNVLTZLDWCCLIR-MRVPVSSYSA-N -1 1 390.433 -0.125 20 0 GBADMM COCc1nc2n(n1)C[C@H](NC(=O)NCc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001571295768 946173789 /nfs/dbraw/zinc/17/37/89/946173789.db2.gz FNVLTZLDWCCLIR-MRVPVSSYSA-N -1 1 390.433 -0.125 20 0 GBADMM COCc1nc2n(n1)C[C@@H](NC(=O)NCc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001571295769 946174459 /nfs/dbraw/zinc/17/44/59/946174459.db2.gz FNVLTZLDWCCLIR-QMMMGPOBSA-N -1 1 390.433 -0.125 20 0 GBADMM COCc1nc2n(n1)C[C@@H](NC(=O)NCc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001571295769 946174453 /nfs/dbraw/zinc/17/44/53/946174453.db2.gz FNVLTZLDWCCLIR-QMMMGPOBSA-N -1 1 390.433 -0.125 20 0 GBADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)n3cncn3)C2)c1-c1nn[n-]n1 ZINC001571295781 946173920 /nfs/dbraw/zinc/17/39/20/946173920.db2.gz FXZLEBITUBHCIN-IVZWLZJFSA-N -1 1 390.433 -0.850 20 0 GBADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)n3cncn3)C2)c1-c1nn[n-]n1 ZINC001571295782 946173902 /nfs/dbraw/zinc/17/39/02/946173902.db2.gz FXZLEBITUBHCIN-OPRDCNLKSA-N -1 1 390.433 -0.850 20 0 GBADMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571295847 946176287 /nfs/dbraw/zinc/17/62/87/946176287.db2.gz HLYBMYBTLPASFQ-DOLQZWNJSA-N -1 1 390.429 -0.462 20 0 GBADMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571295849 946177097 /nfs/dbraw/zinc/17/70/97/946177097.db2.gz HLYBMYBTLPASFQ-QEYWKRMJSA-N -1 1 390.429 -0.462 20 0 GBADMM CC[C@@H](OC)C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571295852 946175964 /nfs/dbraw/zinc/17/59/64/946175964.db2.gz HNYYDMODFNTHQR-GXTWGEPZSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@@H](OC)C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571295852 946175960 /nfs/dbraw/zinc/17/59/60/946175960.db2.gz HNYYDMODFNTHQR-GXTWGEPZSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@H](OC)C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571295853 946177074 /nfs/dbraw/zinc/17/70/74/946177074.db2.gz HNYYDMODFNTHQR-JSGCOSHPSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@H](OC)C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571295853 946177065 /nfs/dbraw/zinc/17/70/65/946177065.db2.gz HNYYDMODFNTHQR-JSGCOSHPSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@H](OC)C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571295854 946176323 /nfs/dbraw/zinc/17/63/23/946176323.db2.gz HNYYDMODFNTHQR-OCCSQVGLSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@H](OC)C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571295854 946176311 /nfs/dbraw/zinc/17/63/11/946176311.db2.gz HNYYDMODFNTHQR-OCCSQVGLSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@@H](OC)C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571295855 946176922 /nfs/dbraw/zinc/17/69/22/946176922.db2.gz HNYYDMODFNTHQR-TZMCWYRMSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@@H](OC)C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571295855 946176916 /nfs/dbraw/zinc/17/69/16/946176916.db2.gz HNYYDMODFNTHQR-TZMCWYRMSA-N -1 1 390.448 -0.129 20 0 GBADMM Cn1nnc(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)n1 ZINC001571295865 946177679 /nfs/dbraw/zinc/17/76/79/946177679.db2.gz HXTWUYDHHKRZEF-SECBINFHSA-N -1 1 390.433 -0.918 20 0 GBADMM Cn1nnc(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)n1 ZINC001571295866 946175895 /nfs/dbraw/zinc/17/58/95/946175895.db2.gz HXTWUYDHHKRZEF-VIFPVBQESA-N -1 1 390.433 -0.918 20 0 GBADMM CC(C)[C@@H](O)C(=O)N1CCC(N(CCO)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571295916 946178769 /nfs/dbraw/zinc/17/87/69/946178769.db2.gz JFGPNZRJGFTNJP-OAHLLOKOSA-N -1 1 390.448 -0.537 20 0 GBADMM CC(C)[C@@H](O)C(=O)N1CCC(N(CCO)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571295916 946178766 /nfs/dbraw/zinc/17/87/66/946178766.db2.gz JFGPNZRJGFTNJP-OAHLLOKOSA-N -1 1 390.448 -0.537 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCCC(=O)N1CCCCCC1 ZINC001571295917 946178895 /nfs/dbraw/zinc/17/88/95/946178895.db2.gz JIBDIJOAANHFQF-UHFFFAOYSA-N -1 1 390.404 -0.962 20 0 GBADMM O=C(CCC(=O)NC1CCCC1)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295943 946179057 /nfs/dbraw/zinc/17/90/57/946179057.db2.gz KAURYZMEGOWXBE-UHFFFAOYSA-N -1 1 390.404 -0.916 20 0 GBADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)CC1OCCCO1 ZINC001571295955 946178784 /nfs/dbraw/zinc/17/87/84/946178784.db2.gz KGWWLZUTIYZEON-GHMZBOCLSA-N -1 1 390.404 -0.870 20 0 GBADMM CC[C@@H](OC)C(=O)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571295975 946178777 /nfs/dbraw/zinc/17/87/77/946178777.db2.gz LBZTUQOHULEILB-CYBMUJFWSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@@H](OC)C(=O)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571295975 946178775 /nfs/dbraw/zinc/17/87/75/946178775.db2.gz LBZTUQOHULEILB-CYBMUJFWSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@H](OC)C(=O)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571295976 946181925 /nfs/dbraw/zinc/18/19/25/946181925.db2.gz LBZTUQOHULEILB-ZDUSSCGKSA-N -1 1 390.448 -0.129 20 0 GBADMM CC[C@H](OC)C(=O)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571295976 946181918 /nfs/dbraw/zinc/18/19/18/946181918.db2.gz LBZTUQOHULEILB-ZDUSSCGKSA-N -1 1 390.448 -0.129 20 0 GBADMM O=C(CO[C@@H]1CCOC1)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571296033 946182371 /nfs/dbraw/zinc/18/23/71/946182371.db2.gz MJNZYUBSFVMFNJ-NEPJUHHUSA-N -1 1 390.404 -0.899 20 0 GBADMM O=C(CO[C@@H]1CCOC1)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571296033 946182362 /nfs/dbraw/zinc/18/23/62/946182362.db2.gz MJNZYUBSFVMFNJ-NEPJUHHUSA-N -1 1 390.404 -0.899 20 0 GBADMM O=C(CO[C@H]1CCOC1)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571296034 946181673 /nfs/dbraw/zinc/18/16/73/946181673.db2.gz MJNZYUBSFVMFNJ-NWDGAFQWSA-N -1 1 390.404 -0.899 20 0 GBADMM O=C(CO[C@H]1CCOC1)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571296034 946181667 /nfs/dbraw/zinc/18/16/67/946181667.db2.gz MJNZYUBSFVMFNJ-NWDGAFQWSA-N -1 1 390.404 -0.899 20 0 GBADMM O=C(CO[C@H]1CCOC1)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571296035 946182768 /nfs/dbraw/zinc/18/27/68/946182768.db2.gz MJNZYUBSFVMFNJ-RYUDHWBXSA-N -1 1 390.404 -0.899 20 0 GBADMM O=C(CO[C@H]1CCOC1)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571296035 946182757 /nfs/dbraw/zinc/18/27/57/946182757.db2.gz MJNZYUBSFVMFNJ-RYUDHWBXSA-N -1 1 390.404 -0.899 20 0 GBADMM O=C(CO[C@@H]1CCOC1)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571296036 946182489 /nfs/dbraw/zinc/18/24/89/946182489.db2.gz MJNZYUBSFVMFNJ-VXGBXAGGSA-N -1 1 390.404 -0.899 20 0 GBADMM O=C(CO[C@@H]1CCOC1)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571296036 946182478 /nfs/dbraw/zinc/18/24/78/946182478.db2.gz MJNZYUBSFVMFNJ-VXGBXAGGSA-N -1 1 390.404 -0.899 20 0 GBADMM C[C@@H](C(=O)NCCc1ccccc1S(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001571296072 946184158 /nfs/dbraw/zinc/18/41/58/946184158.db2.gz MSWUJJFMKLMCHP-JTQLQIEISA-N -1 1 390.429 -0.218 20 0 GBADMM C[C@H](C(=O)NCCc1ccccc1S(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001571296073 946183998 /nfs/dbraw/zinc/18/39/98/946183998.db2.gz MSWUJJFMKLMCHP-SNVBAGLBSA-N -1 1 390.429 -0.218 20 0 GBADMM CC(=O)NC1CCC(N(C)C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001571296102 946185860 /nfs/dbraw/zinc/18/58/60/946185860.db2.gz NWMDQUFRVIBAIW-UHFFFAOYSA-N -1 1 390.404 -0.965 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1=CCS(=O)(=O)C1 ZINC001571296112 946184562 /nfs/dbraw/zinc/18/45/62/946184562.db2.gz OIHFXXDJZDWEPD-JTQLQIEISA-N -1 1 390.429 -0.951 20 0 GBADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1=CCS(=O)(=O)C1 ZINC001571296112 946184557 /nfs/dbraw/zinc/18/45/57/946184557.db2.gz OIHFXXDJZDWEPD-JTQLQIEISA-N -1 1 390.429 -0.951 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1=CCS(=O)(=O)C1 ZINC001571296113 946184314 /nfs/dbraw/zinc/18/43/14/946184314.db2.gz OIHFXXDJZDWEPD-SNVBAGLBSA-N -1 1 390.429 -0.951 20 0 GBADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1=CCS(=O)(=O)C1 ZINC001571296113 946184308 /nfs/dbraw/zinc/18/43/08/946184308.db2.gz OIHFXXDJZDWEPD-SNVBAGLBSA-N -1 1 390.429 -0.951 20 0 GBADMM Cn1c(=O)[nH]c(N2CCC23CN(C(=O)OC(C)(C)C)C3)c(-c2nn[n-]n2)c1=O ZINC001571296125 946184209 /nfs/dbraw/zinc/18/42/09/946184209.db2.gz OMOSTYOWPIKGJJ-UHFFFAOYSA-N -1 1 390.404 -0.547 20 0 GBADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001571296178 946186545 /nfs/dbraw/zinc/18/65/45/946186545.db2.gz PTLDECXXYQOWNT-GHMZBOCLSA-N -1 1 390.448 -0.225 20 0 GBADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001571296179 946187161 /nfs/dbraw/zinc/18/71/61/946187161.db2.gz PTLDECXXYQOWNT-MNOVXSKESA-N -1 1 390.448 -0.225 20 0 GBADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001571296180 946187181 /nfs/dbraw/zinc/18/71/81/946187181.db2.gz PTLDECXXYQOWNT-QWRGUYRKSA-N -1 1 390.448 -0.225 20 0 GBADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001571296181 946187539 /nfs/dbraw/zinc/18/75/39/946187539.db2.gz PTLDECXXYQOWNT-WDEREUQCSA-N -1 1 390.448 -0.225 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(N3CCCOC3=O)CC2)n(C)c1=O ZINC001571296215 946186667 /nfs/dbraw/zinc/18/66/67/946186667.db2.gz QWLJJYJPMYMAIP-UHFFFAOYSA-N -1 1 390.404 -0.925 20 0 GBADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)c1cnnn1C ZINC001571296216 946189879 /nfs/dbraw/zinc/18/98/79/946189879.db2.gz QYOZOAOYJOFMKM-PSASIEDQSA-N -1 1 390.433 -0.606 20 0 GBADMM Cc1ncc(CC(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)o1 ZINC001571296243 946189051 /nfs/dbraw/zinc/18/90/51/946189051.db2.gz RRNINFMYSQBMBW-MNOVXSKESA-N -1 1 390.429 -0.164 20 0 GBADMM CC(C)(O)CC(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001571296281 946189792 /nfs/dbraw/zinc/18/97/92/946189792.db2.gz SQHNBQFTRPQEBA-GFCCVEGCSA-N -1 1 390.448 -0.393 20 0 GBADMM CC(C)(O)CC(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001571296281 946189787 /nfs/dbraw/zinc/18/97/87/946189787.db2.gz SQHNBQFTRPQEBA-GFCCVEGCSA-N -1 1 390.448 -0.393 20 0 GBADMM CC(C)(O)CC(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001571296282 946189651 /nfs/dbraw/zinc/18/96/51/946189651.db2.gz SQHNBQFTRPQEBA-LBPRGKRZSA-N -1 1 390.448 -0.393 20 0 GBADMM CC(C)(O)CC(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001571296282 946189644 /nfs/dbraw/zinc/18/96/44/946189644.db2.gz SQHNBQFTRPQEBA-LBPRGKRZSA-N -1 1 390.448 -0.393 20 0 GBADMM CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571296315 946191748 /nfs/dbraw/zinc/19/17/48/946191748.db2.gz USIONEDKMFJQHS-JTQLQIEISA-N -1 1 390.404 -0.965 20 0 GBADMM CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571296316 946192820 /nfs/dbraw/zinc/19/28/20/946192820.db2.gz USIONEDKMFJQHS-SNVBAGLBSA-N -1 1 390.404 -0.965 20 0 GBADMM O=C(N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1(CF)CCC1 ZINC001571296373 946192785 /nfs/dbraw/zinc/19/27/85/946192785.db2.gz WHZMVVIPIWUWAX-UHFFFAOYSA-N -1 1 390.423 -0.016 20 0 GBADMM Cn1c(=O)[nH]c(N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(-c2nn[n-]n2)c1=O ZINC001571296447 946194478 /nfs/dbraw/zinc/19/44/78/946194478.db2.gz YIUOAEBLRLMEAH-BDAKNGLRSA-N -1 1 390.404 -0.548 20 0 GBADMM Cn1c(=O)[nH]c(N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(-c2nn[n-]n2)c1=O ZINC001571296448 946193268 /nfs/dbraw/zinc/19/32/68/946193268.db2.gz YIUOAEBLRLMEAH-DTWKUNHWSA-N -1 1 390.404 -0.548 20 0 GBADMM Cc1nsc(N2CCN(C(=O)NCc3nc(N)n[nH]3)CC2)c1-c1nn[n-]n1 ZINC001571296483 946197226 /nfs/dbraw/zinc/19/72/26/946197226.db2.gz ZCSRZYKCNHOGPZ-UHFFFAOYSA-N -1 1 390.437 -0.636 20 0 GBADMM Cc1cc(CC(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]2O)no1 ZINC001571296485 946197483 /nfs/dbraw/zinc/19/74/83/946197483.db2.gz ZFHVKYFQVHJMLH-GHMZBOCLSA-N -1 1 390.429 -0.164 20 0 GBADMM CCO[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571298615 946220924 /nfs/dbraw/zinc/22/09/24/946220924.db2.gz HSARGAWGJATKPT-YRGRVCCFSA-N -1 1 390.448 -0.051 20 0 GBADMM CCO[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571298615 946220918 /nfs/dbraw/zinc/22/09/18/946220918.db2.gz HSARGAWGJATKPT-YRGRVCCFSA-N -1 1 390.448 -0.051 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)c(Cl)n1 ZINC001571298660 946223842 /nfs/dbraw/zinc/22/38/42/946223842.db2.gz BZUIRGWEDZQBCL-NXEZZACHSA-N -1 1 390.795 -0.977 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)c(Cl)n1 ZINC001571298660 946223833 /nfs/dbraw/zinc/22/38/33/946223833.db2.gz BZUIRGWEDZQBCL-NXEZZACHSA-N -1 1 390.795 -0.977 20 0 GBADMM CCCCN(C)C(=O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001571299158 946240524 /nfs/dbraw/zinc/24/05/24/946240524.db2.gz OPRGGTFRDYZWQN-UHFFFAOYSA-N -1 1 390.448 -0.271 20 0 GBADMM CCO[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571299222 946242375 /nfs/dbraw/zinc/24/23/75/946242375.db2.gz PJGYBRXEOHDAGU-FRRDWIJNSA-N -1 1 390.448 -0.221 20 0 GBADMM CCO[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571299227 946243693 /nfs/dbraw/zinc/24/36/93/946243693.db2.gz PJGYBRXEOHDAGU-JHJVBQTASA-N -1 1 390.448 -0.221 20 0 GBADMM O=C(Cc1ccc(Cl)cc1)Cn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O ZINC001571300131 946270966 /nfs/dbraw/zinc/27/09/66/946270966.db2.gz VRPJRZYZUVRLPP-UHFFFAOYSA-N -1 1 390.787 -0.352 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)c(Cl)n1 ZINC001571300190 946274824 /nfs/dbraw/zinc/27/48/24/946274824.db2.gz WLBROHXIPXJYCK-ZJUUUORDSA-N -1 1 390.795 -0.977 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)c(Cl)n1 ZINC001571300190 946274811 /nfs/dbraw/zinc/27/48/11/946274811.db2.gz WLBROHXIPXJYCK-ZJUUUORDSA-N -1 1 390.795 -0.977 20 0 GBADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CCS(=O)(=O)CCO1 ZINC001571301740 946283419 /nfs/dbraw/zinc/28/34/19/946283419.db2.gz BSYLNGFPMXWUGJ-UHFFFAOYSA-N -1 1 391.406 -0.335 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001571301748 946283292 /nfs/dbraw/zinc/28/32/92/946283292.db2.gz BWWYXSRYYUNIKL-SECBINFHSA-N -1 1 391.294 -0.343 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC001571301749 946282905 /nfs/dbraw/zinc/28/29/05/946282905.db2.gz BWWYXSRYYUNIKL-VIFPVBQESA-N -1 1 391.294 -0.343 20 0 GBADMM NC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001571301751 946283643 /nfs/dbraw/zinc/28/36/43/946283643.db2.gz BZBAMPDIBYBGLT-JYAVWHMHSA-N -1 1 391.395 -0.380 20 0 GBADMM NC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001571301751 946283634 /nfs/dbraw/zinc/28/36/34/946283634.db2.gz BZBAMPDIBYBGLT-JYAVWHMHSA-N -1 1 391.395 -0.380 20 0 GBADMM COC(=O)[C@@]1(C)CCCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571301910 946288395 /nfs/dbraw/zinc/28/83/95/946288395.db2.gz HOJORJYDNKOSHH-INIZCTEOSA-N -1 1 391.388 -0.679 20 0 GBADMM COC(=O)[C@]1(C)CCCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571301911 946287992 /nfs/dbraw/zinc/28/79/92/946287992.db2.gz HOJORJYDNKOSHH-MRXNPFEDSA-N -1 1 391.388 -0.679 20 0 GBADMM Cc1cnc([C@@H](C)NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571301925 946288556 /nfs/dbraw/zinc/28/85/56/946288556.db2.gz IAQIZGKNEGJUMB-MRVPVSSYSA-N -1 1 391.417 -0.046 20 0 GBADMM Cc1cnc([C@H](C)NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571301926 946287121 /nfs/dbraw/zinc/28/71/21/946287121.db2.gz IAQIZGKNEGJUMB-QMMMGPOBSA-N -1 1 391.417 -0.046 20 0 GBADMM Cc1nc(N(C)C)sc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571301957 946286981 /nfs/dbraw/zinc/28/69/81/946286981.db2.gz JLRBNBJCBALHLS-UHFFFAOYSA-N -1 1 391.417 -0.610 20 0 GBADMM CS(=O)(=O)c1ccc(NCC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001571301970 946288375 /nfs/dbraw/zinc/28/83/75/946288375.db2.gz KCLKEKPCRZYKHQ-UHFFFAOYSA-N -1 1 391.417 -0.910 20 0 GBADMM O=C(c1c(F)ccc(O)c1F)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571302060 946292561 /nfs/dbraw/zinc/29/25/61/946292561.db2.gz MVGBMPDATLECGA-UHFFFAOYSA-N -1 1 391.294 -0.190 20 0 GBADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 ZINC001571302129 946293052 /nfs/dbraw/zinc/29/30/52/946293052.db2.gz PFCXFGBINLOHQV-UHFFFAOYSA-N -1 1 391.417 -0.395 20 0 GBADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 ZINC001571302129 946293040 /nfs/dbraw/zinc/29/30/40/946293040.db2.gz PFCXFGBINLOHQV-UHFFFAOYSA-N -1 1 391.417 -0.395 20 0 GBADMM CCOC(=O)C[C@@H]1CCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571302197 946295136 /nfs/dbraw/zinc/29/51/36/946295136.db2.gz RBWFAEBFYKUKMW-JTQLQIEISA-N -1 1 391.388 -0.537 20 0 GBADMM CCOC(=O)C[C@H]1CCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571302198 946295295 /nfs/dbraw/zinc/29/52/95/946295295.db2.gz RBWFAEBFYKUKMW-SNVBAGLBSA-N -1 1 391.388 -0.537 20 0 GBADMM Cc1nn(C)c(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)c1-c1nn[n-]n1 ZINC001571302219 946297136 /nfs/dbraw/zinc/29/71/36/946297136.db2.gz RROVNUKAVYIIBR-UHFFFAOYSA-N -1 1 391.417 -0.635 20 0 GBADMM Cc1nn(C)c(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)c1-c1nnn[n-]1 ZINC001571302219 946297126 /nfs/dbraw/zinc/29/71/26/946297126.db2.gz RROVNUKAVYIIBR-UHFFFAOYSA-N -1 1 391.417 -0.635 20 0 GBADMM CO[C@]12CCC[C@@]1(C(=O)NCCn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)CCO2 ZINC001571302337 946301201 /nfs/dbraw/zinc/30/12/01/946301201.db2.gz UZTUGWDZQJCBLR-HOTGVXAUSA-N -1 1 391.388 -0.822 20 0 GBADMM O=c1[nH]c(=O)n(CCNS(=O)(=O)CC2CC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001571302358 946300565 /nfs/dbraw/zinc/30/05/65/946300565.db2.gz VSBZZSNDSLZTIK-UHFFFAOYSA-N -1 1 391.360 -0.906 20 0 GBADMM CCN(C[C@@H](O)C(F)(F)F)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571302362 946299396 /nfs/dbraw/zinc/29/93/96/946299396.db2.gz VWZDJYNRUWSDAC-MRVPVSSYSA-N -1 1 391.310 -0.709 20 0 GBADMM CCN(C[C@H](O)C(F)(F)F)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571302363 946300330 /nfs/dbraw/zinc/30/03/30/946300330.db2.gz VWZDJYNRUWSDAC-QMMMGPOBSA-N -1 1 391.310 -0.709 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H](CO)CC1CCCCC1 ZINC001571302928 946318113 /nfs/dbraw/zinc/31/81/13/946318113.db2.gz DQFDXIPMGGKTEN-GFCCVEGCSA-N -1 1 391.432 -0.033 20 0 GBADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H](CO)CC1CCCCC1 ZINC001571302929 946318957 /nfs/dbraw/zinc/31/89/57/946318957.db2.gz DQFDXIPMGGKTEN-LBPRGKRZSA-N -1 1 391.432 -0.033 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)n1CCO ZINC001571303165 946325314 /nfs/dbraw/zinc/32/53/14/946325314.db2.gz JADQDJKRARVJHL-CMPLNLGQSA-N -1 1 391.432 -0.814 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)n1CCO ZINC001571303166 946326143 /nfs/dbraw/zinc/32/61/43/946326143.db2.gz JADQDJKRARVJHL-JQWIXIFHSA-N -1 1 391.432 -0.814 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)c(=O)n1CCO ZINC001571303167 946325413 /nfs/dbraw/zinc/32/54/13/946325413.db2.gz JADQDJKRARVJHL-PWSUYJOCSA-N -1 1 391.432 -0.814 20 0 GBADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)n1CCO ZINC001571303168 946326841 /nfs/dbraw/zinc/32/68/41/946326841.db2.gz JADQDJKRARVJHL-ZYHUDNBSSA-N -1 1 391.432 -0.814 20 0 GBADMM CC(C)C[C@]1(CO)CCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571303325 946331418 /nfs/dbraw/zinc/33/14/18/946331418.db2.gz KJRZQZOZPPSFTI-KRWDZBQOSA-N -1 1 391.432 -0.081 20 0 GBADMM CC(C)C[C@@]1(CO)CCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571303326 946332303 /nfs/dbraw/zinc/33/23/03/946332303.db2.gz KJRZQZOZPPSFTI-QGZVFWFLSA-N -1 1 391.432 -0.081 20 0 GBADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)N1CCOCC1 ZINC001571304146 946361135 /nfs/dbraw/zinc/36/11/35/946361135.db2.gz YWULBZGFTMCPIV-UHFFFAOYSA-N -1 1 391.436 -0.524 20 0 GBADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)N1CCOCC1 ZINC001571304146 946361122 /nfs/dbraw/zinc/36/11/22/946361122.db2.gz YWULBZGFTMCPIV-UHFFFAOYSA-N -1 1 391.436 -0.524 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1cc(Cl)no1 ZINC001571305505 946362683 /nfs/dbraw/zinc/36/26/83/946362683.db2.gz CRNIUBQNEGSGLT-HTQZYQBOSA-N -1 1 391.779 -0.332 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1cc(Cl)no1 ZINC001571305505 946362674 /nfs/dbraw/zinc/36/26/74/946362674.db2.gz CRNIUBQNEGSGLT-HTQZYQBOSA-N -1 1 391.779 -0.332 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1cc(Cl)no1 ZINC001571305506 946365367 /nfs/dbraw/zinc/36/53/67/946365367.db2.gz CRNIUBQNEGSGLT-JGVFFNPUSA-N -1 1 391.779 -0.332 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1cc(Cl)no1 ZINC001571305506 946365358 /nfs/dbraw/zinc/36/53/58/946365358.db2.gz CRNIUBQNEGSGLT-JGVFFNPUSA-N -1 1 391.779 -0.332 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1cc(Cl)no1 ZINC001571305507 946362996 /nfs/dbraw/zinc/36/29/96/946362996.db2.gz CRNIUBQNEGSGLT-SFYZADRCSA-N -1 1 391.779 -0.332 20 0 GBADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1cc(Cl)no1 ZINC001571305507 946362983 /nfs/dbraw/zinc/36/29/83/946362983.db2.gz CRNIUBQNEGSGLT-SFYZADRCSA-N -1 1 391.779 -0.332 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1cc(Cl)no1 ZINC001571305508 946363667 /nfs/dbraw/zinc/36/36/67/946363667.db2.gz CRNIUBQNEGSGLT-YUMQZZPRSA-N -1 1 391.779 -0.332 20 0 GBADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1cc(Cl)no1 ZINC001571305508 946363654 /nfs/dbraw/zinc/36/36/54/946363654.db2.gz CRNIUBQNEGSGLT-YUMQZZPRSA-N -1 1 391.779 -0.332 20 0 GBADMM O=C(Cn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O)Nc1ccccc1Cl ZINC001571305527 946367817 /nfs/dbraw/zinc/36/78/17/946367817.db2.gz DFRRGMHYGCXAHD-UHFFFAOYSA-N -1 1 391.775 -0.526 20 0 GBADMM Cc1nsc(NC2CC(CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571305747 946373527 /nfs/dbraw/zinc/37/35/27/946373527.db2.gz BQMXLBNVRGPNTJ-RTBKNWGFSA-N -1 1 391.461 -0.038 20 0 GBADMM Cc1nsc(NC2CC(CNC(=O)[C@H]3CN(C)C(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571305748 946373900 /nfs/dbraw/zinc/37/39/00/946373900.db2.gz BQMXLBNVRGPNTJ-UDNWOFFPSA-N -1 1 391.461 -0.038 20 0 GBADMM Cc1nsc(NCC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571305769 946375066 /nfs/dbraw/zinc/37/50/66/946375066.db2.gz CEUPIJQVKHEYJD-JTQLQIEISA-N -1 1 391.461 -0.036 20 0 GBADMM Cc1nsc(NCC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571305770 946376532 /nfs/dbraw/zinc/37/65/32/946376532.db2.gz CEUPIJQVKHEYJD-SNVBAGLBSA-N -1 1 391.461 -0.036 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1cc(Cl)no1 ZINC001571306092 946387516 /nfs/dbraw/zinc/38/75/16/946387516.db2.gz PJPGGFYCMCCYGT-MRVPVSSYSA-N -1 1 391.779 -0.067 20 0 GBADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1cc(Cl)no1 ZINC001571306092 946387502 /nfs/dbraw/zinc/38/75/02/946387502.db2.gz PJPGGFYCMCCYGT-MRVPVSSYSA-N -1 1 391.779 -0.067 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1cc(Cl)no1 ZINC001571306093 946388627 /nfs/dbraw/zinc/38/86/27/946388627.db2.gz PJPGGFYCMCCYGT-QMMMGPOBSA-N -1 1 391.779 -0.067 20 0 GBADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1cc(Cl)no1 ZINC001571306093 946388622 /nfs/dbraw/zinc/38/86/22/946388622.db2.gz PJPGGFYCMCCYGT-QMMMGPOBSA-N -1 1 391.779 -0.067 20 0 GBADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC001571306179 946391400 /nfs/dbraw/zinc/39/14/00/946391400.db2.gz QIXWHYPBNCNPBN-NSHDSACASA-N -1 1 391.775 -0.368 20 0 GBADMM Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)c1-c1nn[n-]n1 ZINC001571306267 946393686 /nfs/dbraw/zinc/39/36/86/946393686.db2.gz JDBFKAWSERKOAJ-UWVGGRQHSA-N -1 1 391.461 -0.130 20 0 GBADMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4COCCO4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571306414 946399053 /nfs/dbraw/zinc/39/90/53/946399053.db2.gz KLYLOHBMUYFTSN-WISYIIOYSA-N -1 1 391.457 -0.155 20 0 GBADMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COCCO4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571306415 946400674 /nfs/dbraw/zinc/40/06/74/946400674.db2.gz KLYLOHBMUYFTSN-YFKTTZPYSA-N -1 1 391.457 -0.155 20 0 GBADMM Cc1nsc(N(C)C[C@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)c1-c1nn[n-]n1 ZINC001571307068 946416433 /nfs/dbraw/zinc/41/64/33/946416433.db2.gz VMJAMILHARVHSP-NXEZZACHSA-N -1 1 391.461 -0.260 20 0 GBADMM Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)c1-c1nn[n-]n1 ZINC001571307069 946415522 /nfs/dbraw/zinc/41/55/22/946415522.db2.gz VMJAMILHARVHSP-UWVGGRQHSA-N -1 1 391.461 -0.260 20 0 GBADMM Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)c1-c1nn[n-]n1 ZINC001571307070 946416227 /nfs/dbraw/zinc/41/62/27/946416227.db2.gz VMJAMILHARVHSP-VHSXEESVSA-N -1 1 391.461 -0.260 20 0 GBADMM Cc1nsc(N(C)C[C@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)c1-c1nn[n-]n1 ZINC001571307071 946415795 /nfs/dbraw/zinc/41/57/95/946415795.db2.gz VMJAMILHARVHSP-ZJUUUORDSA-N -1 1 391.461 -0.260 20 0 GBADMM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@H]1CCC(=O)N1 ZINC001571307111 946416295 /nfs/dbraw/zinc/41/62/95/946416295.db2.gz XBPIEIUHLQAIKC-CMPLNLGQSA-N -1 1 391.457 -0.476 20 0 GBADMM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@H]1CCC(=O)N1 ZINC001571307112 946416450 /nfs/dbraw/zinc/41/64/50/946416450.db2.gz XBPIEIUHLQAIKC-ZYHUDNBSSA-N -1 1 391.457 -0.476 20 0 GBADMM Cc1cccnc1C(F)(F)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571307384 946423028 /nfs/dbraw/zinc/42/30/28/946423028.db2.gz CXLCGBBMVXUPSS-UHFFFAOYSA-N -1 1 392.326 -0.259 20 0 GBADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccn(C(F)F)n1 ZINC001571307552 946423721 /nfs/dbraw/zinc/42/37/21/946423721.db2.gz DXXIUFLQWQVGGR-NXEZZACHSA-N -1 1 392.330 -0.772 20 0 GBADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccn(C(F)F)n1 ZINC001571307552 946423713 /nfs/dbraw/zinc/42/37/13/946423713.db2.gz DXXIUFLQWQVGGR-NXEZZACHSA-N -1 1 392.330 -0.772 20 0 GBADMM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC001571307554 946422971 /nfs/dbraw/zinc/42/29/71/946422971.db2.gz DZVREPNNHVAHBZ-NEPJUHHUSA-N -1 1 392.395 -0.836 20 0 GBADMM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC001571307555 946423383 /nfs/dbraw/zinc/42/33/83/946423383.db2.gz DZVREPNNHVAHBZ-NWDGAFQWSA-N -1 1 392.395 -0.836 20 0 GBADMM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC001571307556 946422273 /nfs/dbraw/zinc/42/22/73/946422273.db2.gz DZVREPNNHVAHBZ-RYUDHWBXSA-N -1 1 392.395 -0.836 20 0 GBADMM O=C(CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC001571307557 946422346 /nfs/dbraw/zinc/42/23/46/946422346.db2.gz DZVREPNNHVAHBZ-VXGBXAGGSA-N -1 1 392.395 -0.836 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccnc2c1CC(=O)N2 ZINC001571307591 946424380 /nfs/dbraw/zinc/42/43/80/946424380.db2.gz FUJMLGVKJSDWAQ-KYZUINATSA-N -1 1 392.383 -0.081 20 0 GBADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccnc2c1CC(=O)N2 ZINC001571307591 946424373 /nfs/dbraw/zinc/42/43/73/946424373.db2.gz FUJMLGVKJSDWAQ-KYZUINATSA-N -1 1 392.383 -0.081 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccnc2c1CC(=O)N2 ZINC001571307606 946425604 /nfs/dbraw/zinc/42/56/04/946425604.db2.gz GILTVXREFSBZKW-SECBINFHSA-N -1 1 392.383 -0.445 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)nc1 ZINC001571307853 946426556 /nfs/dbraw/zinc/42/65/56/946426556.db2.gz HXZYCMPXJLOKCZ-IAZYJMLFSA-N -1 1 392.383 -0.985 20 0 GBADMM NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)nc1 ZINC001571307853 946426549 /nfs/dbraw/zinc/42/65/49/946426549.db2.gz HXZYCMPXJLOKCZ-IAZYJMLFSA-N -1 1 392.383 -0.985 20 0 GBADMM COCc1nc(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cs1 ZINC001571307875 946427474 /nfs/dbraw/zinc/42/74/74/946427474.db2.gz IKFFNXXXBRKUHK-UHFFFAOYSA-N -1 1 392.401 -0.562 20 0 GBADMM NC(=O)c1ccnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571307902 946427686 /nfs/dbraw/zinc/42/76/86/946427686.db2.gz JIXFWPMDFLWTHL-QWRGUYRKSA-N -1 1 392.383 -0.746 20 0 GBADMM NC(=O)c1ccnc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001571307908 946427733 /nfs/dbraw/zinc/42/77/33/946427733.db2.gz JPZCUJUQJQTVKL-MSRIBSCDSA-N -1 1 392.383 -0.985 20 0 GBADMM NC(=O)c1ccnc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001571307908 946427726 /nfs/dbraw/zinc/42/77/26/946427726.db2.gz JPZCUJUQJQTVKL-MSRIBSCDSA-N -1 1 392.383 -0.985 20 0 GBADMM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)nc1 ZINC001571308409 946434000 /nfs/dbraw/zinc/43/40/00/946434000.db2.gz PRLZCHZQQFZQBO-QWRGUYRKSA-N -1 1 392.383 -0.746 20 0 GBADMM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)nc1 ZINC001571308409 946433993 /nfs/dbraw/zinc/43/39/93/946433993.db2.gz PRLZCHZQQFZQBO-QWRGUYRKSA-N -1 1 392.383 -0.746 20 0 GBADMM CS(=O)(=O)CC(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571308871 946437999 /nfs/dbraw/zinc/43/79/99/946437999.db2.gz UBZLFCYQOVUQQF-UHFFFAOYSA-N -1 1 391.866 -0.330 20 0 GBADMM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571309345 946442630 /nfs/dbraw/zinc/44/26/30/946442630.db2.gz XWMZTDKYSDLVTH-QWRGUYRKSA-N -1 1 392.383 -0.746 20 0 GBADMM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571309345 946442615 /nfs/dbraw/zinc/44/26/15/946442615.db2.gz XWMZTDKYSDLVTH-QWRGUYRKSA-N -1 1 392.383 -0.746 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571309480 946445271 /nfs/dbraw/zinc/44/52/71/946445271.db2.gz BFACVSCURZDSME-BDAKNGLRSA-N -1 1 392.420 -0.254 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571309481 946444849 /nfs/dbraw/zinc/44/48/49/946444849.db2.gz BFACVSCURZDSME-DTWKUNHWSA-N -1 1 392.420 -0.254 20 0 GBADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571309482 946445125 /nfs/dbraw/zinc/44/51/25/946445125.db2.gz BFACVSCURZDSME-IUCAKERBSA-N -1 1 392.420 -0.254 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571309483 946446718 /nfs/dbraw/zinc/44/67/18/946446718.db2.gz BFACVSCURZDSME-RKDXNWHRSA-N -1 1 392.420 -0.254 20 0 GBADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(NC(=O)OC(C)(C)C)CC2)n(C)c1=O ZINC001571309684 946451762 /nfs/dbraw/zinc/45/17/62/946451762.db2.gz HTFIOORXJHEQLC-UHFFFAOYSA-N -1 1 392.420 -0.267 20 0 GBADMM CC(C)(C)O[C@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571309851 946454790 /nfs/dbraw/zinc/45/47/90/946454790.db2.gz MTDQKPZNCINRET-MGCOHNPYSA-N -1 1 392.420 -0.226 20 0 GBADMM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571309943 946457608 /nfs/dbraw/zinc/45/76/08/946457608.db2.gz QEGXSENSNXJWTE-SECBINFHSA-N -1 1 392.420 -0.719 20 0 GBADMM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571309944 946456925 /nfs/dbraw/zinc/45/69/25/946456925.db2.gz QEGXSENSNXJWTE-VIFPVBQESA-N -1 1 392.420 -0.719 20 0 GBADMM CC1(C)CC[C@@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)OC1 ZINC001571309981 946460238 /nfs/dbraw/zinc/46/02/38/946460238.db2.gz RASGHGUVKIVUGX-JTQLQIEISA-N -1 1 392.420 -0.367 20 0 GBADMM CC1(C)CC[C@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)OC1 ZINC001571309982 946459935 /nfs/dbraw/zinc/45/99/35/946459935.db2.gz RASGHGUVKIVUGX-SNVBAGLBSA-N -1 1 392.420 -0.367 20 0 GBADMM CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001571309996 946459549 /nfs/dbraw/zinc/45/95/49/946459549.db2.gz RLHPPCXIVZAMCM-SECBINFHSA-N -1 1 392.420 -0.301 20 0 GBADMM CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001571309997 946459127 /nfs/dbraw/zinc/45/91/27/946459127.db2.gz RLHPPCXIVZAMCM-VIFPVBQESA-N -1 1 392.420 -0.301 20 0 GBADMM Cn1c(=O)[nH]c(N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1=O ZINC001571310016 946459750 /nfs/dbraw/zinc/45/97/50/946459750.db2.gz SAOOGHIJRPZOGD-SECBINFHSA-N -1 1 392.420 -0.253 20 0 GBADMM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)O1 ZINC001571310073 946462326 /nfs/dbraw/zinc/46/23/26/946462326.db2.gz UPONPHCUNIMQTA-MROQNXINSA-N -1 1 392.420 -0.559 20 0 GBADMM COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)O1 ZINC001571310074 946460866 /nfs/dbraw/zinc/46/08/66/946460866.db2.gz UPONPHCUNIMQTA-WUHRBBMRSA-N -1 1 392.420 -0.559 20 0 GBADMM COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)O1 ZINC001571310075 946460915 /nfs/dbraw/zinc/46/09/15/946460915.db2.gz UPONPHCUNIMQTA-YVECIDJPSA-N -1 1 392.420 -0.559 20 0 GBADMM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)O1 ZINC001571310076 946460979 /nfs/dbraw/zinc/46/09/79/946460979.db2.gz UPONPHCUNIMQTA-ZDEQEGDKSA-N -1 1 392.420 -0.559 20 0 GBADMM C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC001571310222 946467049 /nfs/dbraw/zinc/46/70/49/946467049.db2.gz YWXOUBWJTBORRI-SECBINFHSA-N -1 1 392.420 -0.301 20 0 GBADMM O=C(N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CS(=O)(=O)C1 ZINC001571310268 946466151 /nfs/dbraw/zinc/46/61/51/946466151.db2.gz AFZYDZHPPRNNJX-GXSJLCMTSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CS(=O)(=O)C1 ZINC001571310268 946466141 /nfs/dbraw/zinc/46/61/41/946466141.db2.gz AFZYDZHPPRNNJX-GXSJLCMTSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CS(=O)(=O)C1 ZINC001571310269 946466243 /nfs/dbraw/zinc/46/62/43/946466243.db2.gz AFZYDZHPPRNNJX-KOLCDFICSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CS(=O)(=O)C1 ZINC001571310269 946466238 /nfs/dbraw/zinc/46/62/38/946466238.db2.gz AFZYDZHPPRNNJX-KOLCDFICSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CS(=O)(=O)C1 ZINC001571310270 946465647 /nfs/dbraw/zinc/46/56/47/946465647.db2.gz AFZYDZHPPRNNJX-MWLCHTKSSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CS(=O)(=O)C1 ZINC001571310270 946465644 /nfs/dbraw/zinc/46/56/44/946465644.db2.gz AFZYDZHPPRNNJX-MWLCHTKSSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CS(=O)(=O)C1 ZINC001571310271 946465628 /nfs/dbraw/zinc/46/56/28/946465628.db2.gz AFZYDZHPPRNNJX-ONGXEEELSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CS(=O)(=O)C1 ZINC001571310271 946465622 /nfs/dbraw/zinc/46/56/22/946465622.db2.gz AFZYDZHPPRNNJX-ONGXEEELSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571310287 946467980 /nfs/dbraw/zinc/46/79/80/946467980.db2.gz AMTKVFBHTPWBEQ-NXEZZACHSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571310287 946467976 /nfs/dbraw/zinc/46/79/76/946467976.db2.gz AMTKVFBHTPWBEQ-NXEZZACHSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571310288 946468307 /nfs/dbraw/zinc/46/83/07/946468307.db2.gz AMTKVFBHTPWBEQ-UWVGGRQHSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571310288 946468295 /nfs/dbraw/zinc/46/82/95/946468295.db2.gz AMTKVFBHTPWBEQ-UWVGGRQHSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571310289 946468471 /nfs/dbraw/zinc/46/84/71/946468471.db2.gz AMTKVFBHTPWBEQ-VHSXEESVSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571310289 946468462 /nfs/dbraw/zinc/46/84/62/946468462.db2.gz AMTKVFBHTPWBEQ-VHSXEESVSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571310290 946467737 /nfs/dbraw/zinc/46/77/37/946467737.db2.gz AMTKVFBHTPWBEQ-ZJUUUORDSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001571310290 946467717 /nfs/dbraw/zinc/46/77/17/946467717.db2.gz AMTKVFBHTPWBEQ-ZJUUUORDSA-N -1 1 392.445 -0.650 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571310292 946467891 /nfs/dbraw/zinc/46/78/91/946467891.db2.gz ANGCVSDGWUMIIP-LLVKDONJSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571310292 946467887 /nfs/dbraw/zinc/46/78/87/946467887.db2.gz ANGCVSDGWUMIIP-LLVKDONJSA-N -1 1 392.445 -0.506 20 0 GBADMM CN(C(=O)[C@H]1CCCS1(=O)=O)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571310300 946468155 /nfs/dbraw/zinc/46/81/55/946468155.db2.gz AUXLQCKZJLOVOK-GHMZBOCLSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(C(=O)[C@H]1CCCS1(=O)=O)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571310300 946468147 /nfs/dbraw/zinc/46/81/47/946468147.db2.gz AUXLQCKZJLOVOK-GHMZBOCLSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(C(=O)[C@@H]1CCCS1(=O)=O)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571310301 946468813 /nfs/dbraw/zinc/46/88/13/946468813.db2.gz AUXLQCKZJLOVOK-MNOVXSKESA-N -1 1 392.445 -0.729 20 0 GBADMM CN(C(=O)[C@@H]1CCCS1(=O)=O)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571310301 946468805 /nfs/dbraw/zinc/46/88/05/946468805.db2.gz AUXLQCKZJLOVOK-MNOVXSKESA-N -1 1 392.445 -0.729 20 0 GBADMM CN(C(=O)[C@@H]1CCCS1(=O)=O)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571310302 946468753 /nfs/dbraw/zinc/46/87/53/946468753.db2.gz AUXLQCKZJLOVOK-QWRGUYRKSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(C(=O)[C@@H]1CCCS1(=O)=O)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571310302 946468748 /nfs/dbraw/zinc/46/87/48/946468748.db2.gz AUXLQCKZJLOVOK-QWRGUYRKSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(C(=O)[C@H]1CCCS1(=O)=O)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571310303 946467835 /nfs/dbraw/zinc/46/78/35/946467835.db2.gz AUXLQCKZJLOVOK-WDEREUQCSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(C(=O)[C@H]1CCCS1(=O)=O)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571310303 946467832 /nfs/dbraw/zinc/46/78/32/946467832.db2.gz AUXLQCKZJLOVOK-WDEREUQCSA-N -1 1 392.445 -0.729 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571310308 946468911 /nfs/dbraw/zinc/46/89/11/946468911.db2.gz BBFMRKYYDZBRFQ-UHFFFAOYSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571310308 946468903 /nfs/dbraw/zinc/46/89/03/946468903.db2.gz BBFMRKYYDZBRFQ-UHFFFAOYSA-N -1 1 392.445 -0.506 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571310323 946467771 /nfs/dbraw/zinc/46/77/71/946467771.db2.gz BKPNNUUDRCZIOF-NXEZZACHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571310323 946467767 /nfs/dbraw/zinc/46/77/67/946467767.db2.gz BKPNNUUDRCZIOF-NXEZZACHSA-N -1 1 392.445 -0.792 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001571310324 946467867 /nfs/dbraw/zinc/46/78/67/946467867.db2.gz BLYVLQONGPKVLN-CMPLNLGQSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001571310324 946467865 /nfs/dbraw/zinc/46/78/65/946467865.db2.gz BLYVLQONGPKVLN-CMPLNLGQSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001571310325 946468983 /nfs/dbraw/zinc/46/89/83/946468983.db2.gz BLYVLQONGPKVLN-JQWIXIFHSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001571310325 946468978 /nfs/dbraw/zinc/46/89/78/946468978.db2.gz BLYVLQONGPKVLN-JQWIXIFHSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001571310326 946469622 /nfs/dbraw/zinc/46/96/22/946469622.db2.gz BLYVLQONGPKVLN-PWSUYJOCSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001571310326 946469617 /nfs/dbraw/zinc/46/96/17/946469617.db2.gz BLYVLQONGPKVLN-PWSUYJOCSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001571310327 946468780 /nfs/dbraw/zinc/46/87/80/946468780.db2.gz BLYVLQONGPKVLN-ZYHUDNBSSA-N -1 1 392.445 -0.729 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001571310327 946468768 /nfs/dbraw/zinc/46/87/68/946468768.db2.gz BLYVLQONGPKVLN-ZYHUDNBSSA-N -1 1 392.445 -0.729 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310330 946469175 /nfs/dbraw/zinc/46/91/75/946469175.db2.gz BQKRTGCEFHAYGW-LLVKDONJSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310330 946469169 /nfs/dbraw/zinc/46/91/69/946469169.db2.gz BQKRTGCEFHAYGW-LLVKDONJSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310331 946468881 /nfs/dbraw/zinc/46/88/81/946468881.db2.gz BQKRTGCEFHAYGW-NSHDSACASA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310331 946468871 /nfs/dbraw/zinc/46/88/71/946468871.db2.gz BQKRTGCEFHAYGW-NSHDSACASA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310343 946468849 /nfs/dbraw/zinc/46/88/49/946468849.db2.gz CCDUOFIDXBXVDI-GHMZBOCLSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310343 946468835 /nfs/dbraw/zinc/46/88/35/946468835.db2.gz CCDUOFIDXBXVDI-GHMZBOCLSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310344 946468031 /nfs/dbraw/zinc/46/80/31/946468031.db2.gz CCDUOFIDXBXVDI-MNOVXSKESA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310344 946468028 /nfs/dbraw/zinc/46/80/28/946468028.db2.gz CCDUOFIDXBXVDI-MNOVXSKESA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310345 946469453 /nfs/dbraw/zinc/46/94/53/946469453.db2.gz CCDUOFIDXBXVDI-QWRGUYRKSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310345 946469447 /nfs/dbraw/zinc/46/94/47/946469447.db2.gz CCDUOFIDXBXVDI-QWRGUYRKSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310346 946467918 /nfs/dbraw/zinc/46/79/18/946467918.db2.gz CCDUOFIDXBXVDI-WDEREUQCSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310346 946467914 /nfs/dbraw/zinc/46/79/14/946467914.db2.gz CCDUOFIDXBXVDI-WDEREUQCSA-N -1 1 392.445 -0.506 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001571310362 946468131 /nfs/dbraw/zinc/46/81/31/946468131.db2.gz CUHZSBCEHYQJAZ-BXKDBHETSA-N -1 1 392.445 -0.968 20 0 GBADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001571310362 946468126 /nfs/dbraw/zinc/46/81/26/946468126.db2.gz CUHZSBCEHYQJAZ-BXKDBHETSA-N -1 1 392.445 -0.968 20 0 GBADMM Cc1nsc(NC[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)c1-c1nn[n-]n1 ZINC001571310377 946471600 /nfs/dbraw/zinc/47/16/00/946471600.db2.gz DJASJRCJPRLULO-UWVGGRQHSA-N -1 1 392.445 -0.450 20 0 GBADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)c1-c1nn[n-]n1 ZINC001571310378 946470383 /nfs/dbraw/zinc/47/03/83/946470383.db2.gz DJASJRCJPRLULO-ZJUUUORDSA-N -1 1 392.445 -0.450 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571310380 946471715 /nfs/dbraw/zinc/47/17/15/946471715.db2.gz DJCBIPZVORYAGV-LLVKDONJSA-N -1 1 392.445 -0.870 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571310380 946471707 /nfs/dbraw/zinc/47/17/07/946471707.db2.gz DJCBIPZVORYAGV-LLVKDONJSA-N -1 1 392.445 -0.870 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571310381 946471065 /nfs/dbraw/zinc/47/10/65/946471065.db2.gz DJCBIPZVORYAGV-NSHDSACASA-N -1 1 392.445 -0.870 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571310381 946471059 /nfs/dbraw/zinc/47/10/59/946471059.db2.gz DJCBIPZVORYAGV-NSHDSACASA-N -1 1 392.445 -0.870 20 0 GBADMM CS(=O)(=O)C1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCC1 ZINC001571310382 946471892 /nfs/dbraw/zinc/47/18/92/946471892.db2.gz DKTZOASXMFXPIZ-UHFFFAOYSA-N -1 1 392.445 -0.727 20 0 GBADMM CS(=O)(=O)C1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCC1 ZINC001571310382 946471888 /nfs/dbraw/zinc/47/18/88/946471888.db2.gz DKTZOASXMFXPIZ-UHFFFAOYSA-N -1 1 392.445 -0.727 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CC2CS(=O)(=O)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571310398 946471848 /nfs/dbraw/zinc/47/18/48/946471848.db2.gz DZSMQWUKKAFLQB-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CC2CS(=O)(=O)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571310398 946471841 /nfs/dbraw/zinc/47/18/41/946471841.db2.gz DZSMQWUKKAFLQB-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)S(C)(=O)=O ZINC001571310400 946471468 /nfs/dbraw/zinc/47/14/68/946471468.db2.gz FBXNJECGVIVRCE-JBLDHEPKSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)S(C)(=O)=O ZINC001571310400 946471463 /nfs/dbraw/zinc/47/14/63/946471463.db2.gz FBXNJECGVIVRCE-JBLDHEPKSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)S(C)(=O)=O ZINC001571310401 946470563 /nfs/dbraw/zinc/47/05/63/946470563.db2.gz FBXNJECGVIVRCE-JFGNBEQYSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)S(C)(=O)=O ZINC001571310401 946470557 /nfs/dbraw/zinc/47/05/57/946470557.db2.gz FBXNJECGVIVRCE-JFGNBEQYSA-N -1 1 392.445 -0.873 20 0 GBADMM O=C(NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571310408 946471220 /nfs/dbraw/zinc/47/12/20/946471220.db2.gz FDGUXOGSAHBMMT-GHMZBOCLSA-N -1 1 392.445 -0.966 20 0 GBADMM O=C(NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571310409 946470322 /nfs/dbraw/zinc/47/03/22/946470322.db2.gz FDGUXOGSAHBMMT-MNOVXSKESA-N -1 1 392.445 -0.966 20 0 GBADMM O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571310410 946470836 /nfs/dbraw/zinc/47/08/36/946470836.db2.gz FDGUXOGSAHBMMT-QWRGUYRKSA-N -1 1 392.445 -0.966 20 0 GBADMM O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571310411 946471680 /nfs/dbraw/zinc/47/16/80/946471680.db2.gz FDGUXOGSAHBMMT-WDEREUQCSA-N -1 1 392.445 -0.966 20 0 GBADMM CN(C(=O)[C@@H]1CCCS1(=O)=O)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310421 946471909 /nfs/dbraw/zinc/47/19/09/946471909.db2.gz FKWJXRKOJFRLLD-CBINBANVSA-N -1 1 392.445 -0.365 20 0 GBADMM CN(C(=O)[C@@H]1CCCS1(=O)=O)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310421 946471904 /nfs/dbraw/zinc/47/19/04/946471904.db2.gz FKWJXRKOJFRLLD-CBINBANVSA-N -1 1 392.445 -0.365 20 0 GBADMM CN(C(=O)[C@H]1CCCS1(=O)=O)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310422 946471115 /nfs/dbraw/zinc/47/11/15/946471115.db2.gz FKWJXRKOJFRLLD-RTYFJBAXSA-N -1 1 392.445 -0.365 20 0 GBADMM CN(C(=O)[C@H]1CCCS1(=O)=O)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310422 946471111 /nfs/dbraw/zinc/47/11/11/946471111.db2.gz FKWJXRKOJFRLLD-RTYFJBAXSA-N -1 1 392.445 -0.365 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001571310427 946470343 /nfs/dbraw/zinc/47/03/43/946470343.db2.gz FMBAHUHCCWLMGV-JLLWLGSASA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001571310427 946470341 /nfs/dbraw/zinc/47/03/41/946470341.db2.gz FMBAHUHCCWLMGV-JLLWLGSASA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@H]1CCCS1(=O)=O ZINC001571310428 946471099 /nfs/dbraw/zinc/47/10/99/946471099.db2.gz FMBAHUHCCWLMGV-YUSALJHKSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)[C@H]1CCCS1(=O)=O ZINC001571310428 946471092 /nfs/dbraw/zinc/47/10/92/946471092.db2.gz FMBAHUHCCWLMGV-YUSALJHKSA-N -1 1 392.445 -0.825 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571310437 946471664 /nfs/dbraw/zinc/47/16/64/946471664.db2.gz FYBPZOSSLPMPPK-UHFFFAOYSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571310437 946471653 /nfs/dbraw/zinc/47/16/53/946471653.db2.gz FYBPZOSSLPMPPK-UHFFFAOYSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(C1CCS(=O)(=O)CC1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571310438 946471205 /nfs/dbraw/zinc/47/12/05/946471205.db2.gz GBEWHLWTHOHSTQ-UHFFFAOYSA-N -1 1 392.445 -0.870 20 0 GBADMM O=C(C1CCS(=O)(=O)CC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571310438 946471200 /nfs/dbraw/zinc/47/12/00/946471200.db2.gz GBEWHLWTHOHSTQ-UHFFFAOYSA-N -1 1 392.445 -0.870 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571310450 946473610 /nfs/dbraw/zinc/47/36/10/946473610.db2.gz GKSPOWAVVOSORT-JTQLQIEISA-N -1 1 392.445 -0.648 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571310450 946473601 /nfs/dbraw/zinc/47/36/01/946473601.db2.gz GKSPOWAVVOSORT-JTQLQIEISA-N -1 1 392.445 -0.648 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571310451 946473057 /nfs/dbraw/zinc/47/30/57/946473057.db2.gz GKSPOWAVVOSORT-SNVBAGLBSA-N -1 1 392.445 -0.648 20 0 GBADMM O=C(C1CS(=O)(=O)C1)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571310451 946473054 /nfs/dbraw/zinc/47/30/54/946473054.db2.gz GKSPOWAVVOSORT-SNVBAGLBSA-N -1 1 392.445 -0.648 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310454 946473487 /nfs/dbraw/zinc/47/34/87/946473487.db2.gz GLHZZKFSNJYZQX-GHMZBOCLSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310454 946473479 /nfs/dbraw/zinc/47/34/79/946473479.db2.gz GLHZZKFSNJYZQX-GHMZBOCLSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310455 946473458 /nfs/dbraw/zinc/47/34/58/946473458.db2.gz GLHZZKFSNJYZQX-WDEREUQCSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310455 946473451 /nfs/dbraw/zinc/47/34/51/946473451.db2.gz GLHZZKFSNJYZQX-WDEREUQCSA-N -1 1 392.445 -0.824 20 0 GBADMM Cc1nsc(N2CC[C@H](NC(=O)CN3CCOCC3=O)C2)c1-c1nn[n-]n1 ZINC001571310457 946472920 /nfs/dbraw/zinc/47/29/20/946472920.db2.gz GLWHUKJYUKIHEE-JTQLQIEISA-N -1 1 392.445 -0.815 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCS1(=O)=O ZINC001571310462 946472782 /nfs/dbraw/zinc/47/27/82/946472782.db2.gz GRYPJGSRLFUKIU-GHMZBOCLSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCS1(=O)=O ZINC001571310463 946474054 /nfs/dbraw/zinc/47/40/54/946474054.db2.gz GRYPJGSRLFUKIU-MNOVXSKESA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCS1(=O)=O ZINC001571310464 946473262 /nfs/dbraw/zinc/47/32/62/946473262.db2.gz GRYPJGSRLFUKIU-QWRGUYRKSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCS1(=O)=O ZINC001571310465 946473380 /nfs/dbraw/zinc/47/33/80/946473380.db2.gz GRYPJGSRLFUKIU-WDEREUQCSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(NC(=O)[C@H]2CCCS2(=O)=O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310491 946473411 /nfs/dbraw/zinc/47/34/11/946473411.db2.gz HJNFEORBYVOYGD-ABAIWWIYSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(NC(=O)[C@H]2CCCS2(=O)=O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310491 946473405 /nfs/dbraw/zinc/47/34/05/946473405.db2.gz HJNFEORBYVOYGD-ABAIWWIYSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(NC(=O)[C@H]2CCCS2(=O)=O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310492 946473535 /nfs/dbraw/zinc/47/35/35/946473535.db2.gz HJNFEORBYVOYGD-IAQYHMDHSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(NC(=O)[C@H]2CCCS2(=O)=O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310492 946473526 /nfs/dbraw/zinc/47/35/26/946473526.db2.gz HJNFEORBYVOYGD-IAQYHMDHSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(NC(=O)[C@@H]2CCCS2(=O)=O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310493 946473508 /nfs/dbraw/zinc/47/35/08/946473508.db2.gz HJNFEORBYVOYGD-NHYWBVRUSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(NC(=O)[C@@H]2CCCS2(=O)=O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310493 946473500 /nfs/dbraw/zinc/47/35/00/946473500.db2.gz HJNFEORBYVOYGD-NHYWBVRUSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(NC(=O)[C@@H]2CCCS2(=O)=O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310494 946473790 /nfs/dbraw/zinc/47/37/90/946473790.db2.gz HJNFEORBYVOYGD-XHDPSFHLSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(NC(=O)[C@@H]2CCCS2(=O)=O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310494 946473780 /nfs/dbraw/zinc/47/37/80/946473780.db2.gz HJNFEORBYVOYGD-XHDPSFHLSA-N -1 1 392.445 -0.681 20 0 GBADMM CN(C(=O)CC1CS(=O)(=O)C1)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571310501 946473021 /nfs/dbraw/zinc/47/30/21/946473021.db2.gz HQBXSYOBAINDEB-UHFFFAOYSA-N -1 1 392.445 -0.507 20 0 GBADMM CN(C(=O)CC1CS(=O)(=O)C1)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571310501 946473015 /nfs/dbraw/zinc/47/30/15/946473015.db2.gz HQBXSYOBAINDEB-UHFFFAOYSA-N -1 1 392.445 -0.507 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001571310534 946474911 /nfs/dbraw/zinc/47/49/11/946474911.db2.gz ITJWXRDEQUAUCO-GHMZBOCLSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001571310534 946474908 /nfs/dbraw/zinc/47/49/08/946474908.db2.gz ITJWXRDEQUAUCO-GHMZBOCLSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001571310535 946475004 /nfs/dbraw/zinc/47/50/04/946475004.db2.gz ITJWXRDEQUAUCO-MNOVXSKESA-N -1 1 392.445 -0.872 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001571310535 946474999 /nfs/dbraw/zinc/47/49/99/946474999.db2.gz ITJWXRDEQUAUCO-MNOVXSKESA-N -1 1 392.445 -0.872 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001571310536 946475740 /nfs/dbraw/zinc/47/57/40/946475740.db2.gz ITJWXRDEQUAUCO-QWRGUYRKSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001571310536 946475729 /nfs/dbraw/zinc/47/57/29/946475729.db2.gz ITJWXRDEQUAUCO-QWRGUYRKSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001571310537 946476563 /nfs/dbraw/zinc/47/65/63/946476563.db2.gz ITJWXRDEQUAUCO-WDEREUQCSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001571310537 946476557 /nfs/dbraw/zinc/47/65/57/946476557.db2.gz ITJWXRDEQUAUCO-WDEREUQCSA-N -1 1 392.445 -0.872 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571310538 946476315 /nfs/dbraw/zinc/47/63/15/946476315.db2.gz ITNILGPBHVPRQJ-GXSJLCMTSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571310538 946476306 /nfs/dbraw/zinc/47/63/06/946476306.db2.gz ITNILGPBHVPRQJ-GXSJLCMTSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571310539 946476147 /nfs/dbraw/zinc/47/61/47/946476147.db2.gz ITNILGPBHVPRQJ-KOLCDFICSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571310539 946476140 /nfs/dbraw/zinc/47/61/40/946476140.db2.gz ITNILGPBHVPRQJ-KOLCDFICSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571310540 946474957 /nfs/dbraw/zinc/47/49/57/946474957.db2.gz ITNILGPBHVPRQJ-MWLCHTKSSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571310540 946474950 /nfs/dbraw/zinc/47/49/50/946474950.db2.gz ITNILGPBHVPRQJ-MWLCHTKSSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571310541 946475073 /nfs/dbraw/zinc/47/50/73/946475073.db2.gz ITNILGPBHVPRQJ-ONGXEEELSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571310541 946475066 /nfs/dbraw/zinc/47/50/66/946475066.db2.gz ITNILGPBHVPRQJ-ONGXEEELSA-N -1 1 392.445 -0.650 20 0 GBADMM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310542 946475327 /nfs/dbraw/zinc/47/53/27/946475327.db2.gz ITPDZUXIQDBWLQ-GHMZBOCLSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310542 946475320 /nfs/dbraw/zinc/47/53/20/946475320.db2.gz ITPDZUXIQDBWLQ-GHMZBOCLSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310543 946475094 /nfs/dbraw/zinc/47/50/94/946475094.db2.gz ITPDZUXIQDBWLQ-MNOVXSKESA-N -1 1 392.445 -0.872 20 0 GBADMM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310543 946475090 /nfs/dbraw/zinc/47/50/90/946475090.db2.gz ITPDZUXIQDBWLQ-MNOVXSKESA-N -1 1 392.445 -0.872 20 0 GBADMM CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310544 946476225 /nfs/dbraw/zinc/47/62/25/946476225.db2.gz ITPDZUXIQDBWLQ-QWRGUYRKSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310544 946476216 /nfs/dbraw/zinc/47/62/16/946476216.db2.gz ITPDZUXIQDBWLQ-QWRGUYRKSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310545 946475943 /nfs/dbraw/zinc/47/59/43/946475943.db2.gz ITPDZUXIQDBWLQ-WDEREUQCSA-N -1 1 392.445 -0.872 20 0 GBADMM CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310545 946475935 /nfs/dbraw/zinc/47/59/35/946475935.db2.gz ITPDZUXIQDBWLQ-WDEREUQCSA-N -1 1 392.445 -0.872 20 0 GBADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001571310555 946475859 /nfs/dbraw/zinc/47/58/59/946475859.db2.gz IZLBYRQTRAYECN-GMTAPVOTSA-N -1 1 392.445 -0.968 20 0 GBADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001571310556 946475433 /nfs/dbraw/zinc/47/54/33/946475433.db2.gz IZLBYRQTRAYECN-OUAUKWLOSA-N -1 1 392.445 -0.968 20 0 GBADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001571310579 946475120 /nfs/dbraw/zinc/47/51/20/946475120.db2.gz JOHQHHONWNQRCH-UHFFFAOYSA-N -1 1 392.445 -0.506 20 0 GBADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001571310579 946475115 /nfs/dbraw/zinc/47/51/15/946475115.db2.gz JOHQHHONWNQRCH-UHFFFAOYSA-N -1 1 392.445 -0.506 20 0 GBADMM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCOCC3=O)C2)c1-c1nn[n-]n1 ZINC001571310589 946475045 /nfs/dbraw/zinc/47/50/45/946475045.db2.gz JYNGRYWXMNXTJR-JTQLQIEISA-N -1 1 392.445 -0.497 20 0 GBADMM Cc1nsc(N[C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)c1-c1nn[n-]n1 ZINC001571310590 946476036 /nfs/dbraw/zinc/47/60/36/946476036.db2.gz JYNGRYWXMNXTJR-SNVBAGLBSA-N -1 1 392.445 -0.497 20 0 GBADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C1CS(=O)(=O)C1 ZINC001571310639 946478080 /nfs/dbraw/zinc/47/80/80/946478080.db2.gz LKJPGWDAVJZVDE-GHMZBOCLSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C1CS(=O)(=O)C1 ZINC001571310639 946478075 /nfs/dbraw/zinc/47/80/75/946478075.db2.gz LKJPGWDAVJZVDE-GHMZBOCLSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(C1CCS(=O)(=O)CC1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310773 946476965 /nfs/dbraw/zinc/47/69/65/946476965.db2.gz MKEYVDJXKQLMGK-LLVKDONJSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(C1CCS(=O)(=O)CC1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310773 946476964 /nfs/dbraw/zinc/47/69/64/946476964.db2.gz MKEYVDJXKQLMGK-LLVKDONJSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C([C@H]1CCCS1(=O)=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310778 946477938 /nfs/dbraw/zinc/47/79/38/946477938.db2.gz MSTKHMDXOIUTPJ-CMPLNLGQSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@H]1CCCS1(=O)=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310778 946477930 /nfs/dbraw/zinc/47/79/30/946477930.db2.gz MSTKHMDXOIUTPJ-CMPLNLGQSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@@H]1CCCS1(=O)=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310779 946477042 /nfs/dbraw/zinc/47/70/42/946477042.db2.gz MSTKHMDXOIUTPJ-JQWIXIFHSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@@H]1CCCS1(=O)=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310779 946477041 /nfs/dbraw/zinc/47/70/41/946477041.db2.gz MSTKHMDXOIUTPJ-JQWIXIFHSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCS1(=O)=O ZINC001571310786 946480052 /nfs/dbraw/zinc/48/00/52/946480052.db2.gz MYGSINCUGKULBJ-CBINBANVSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCS1(=O)=O ZINC001571310786 946480045 /nfs/dbraw/zinc/48/00/45/946480045.db2.gz MYGSINCUGKULBJ-CBINBANVSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCS1(=O)=O ZINC001571310787 946479909 /nfs/dbraw/zinc/47/99/09/946479909.db2.gz MYGSINCUGKULBJ-RTYFJBAXSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCS1(=O)=O ZINC001571310787 946479902 /nfs/dbraw/zinc/47/99/02/946479902.db2.gz MYGSINCUGKULBJ-RTYFJBAXSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C1CS(=O)(=O)C1 ZINC001571310823 946479345 /nfs/dbraw/zinc/47/93/45/946479345.db2.gz NUWJUOAGVDKAPL-GXSJLCMTSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C1CS(=O)(=O)C1 ZINC001571310823 946479337 /nfs/dbraw/zinc/47/93/37/946479337.db2.gz NUWJUOAGVDKAPL-GXSJLCMTSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C1CS(=O)(=O)C1 ZINC001571310824 946479296 /nfs/dbraw/zinc/47/92/96/946479296.db2.gz NUWJUOAGVDKAPL-KOLCDFICSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C1CS(=O)(=O)C1 ZINC001571310824 946479290 /nfs/dbraw/zinc/47/92/90/946479290.db2.gz NUWJUOAGVDKAPL-KOLCDFICSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C1CS(=O)(=O)C1 ZINC001571310825 946478710 /nfs/dbraw/zinc/47/87/10/946478710.db2.gz NUWJUOAGVDKAPL-MWLCHTKSSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C1CS(=O)(=O)C1 ZINC001571310825 946478703 /nfs/dbraw/zinc/47/87/03/946478703.db2.gz NUWJUOAGVDKAPL-MWLCHTKSSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C1CS(=O)(=O)C1 ZINC001571310826 946479860 /nfs/dbraw/zinc/47/98/60/946479860.db2.gz NUWJUOAGVDKAPL-ONGXEEELSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C1CS(=O)(=O)C1 ZINC001571310826 946479855 /nfs/dbraw/zinc/47/98/55/946479855.db2.gz NUWJUOAGVDKAPL-ONGXEEELSA-N -1 1 392.445 -0.602 20 0 GBADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCS1(=O)=O ZINC001571310844 946479567 /nfs/dbraw/zinc/47/95/67/946479567.db2.gz NYWBVJVFOZZVEY-QWRGUYRKSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCS1(=O)=O ZINC001571310844 946479561 /nfs/dbraw/zinc/47/95/61/946479561.db2.gz NYWBVJVFOZZVEY-QWRGUYRKSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCS1(=O)=O ZINC001571310845 946479163 /nfs/dbraw/zinc/47/91/63/946479163.db2.gz NYWBVJVFOZZVEY-WDEREUQCSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCS1(=O)=O ZINC001571310845 946479155 /nfs/dbraw/zinc/47/91/55/946479155.db2.gz NYWBVJVFOZZVEY-WDEREUQCSA-N -1 1 392.445 -0.681 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310846 946479256 /nfs/dbraw/zinc/47/92/56/946479256.db2.gz NZIRNINNNJRMAU-CMPLNLGQSA-N -1 1 392.445 -0.872 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310846 946479250 /nfs/dbraw/zinc/47/92/50/946479250.db2.gz NZIRNINNNJRMAU-CMPLNLGQSA-N -1 1 392.445 -0.872 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310847 946479925 /nfs/dbraw/zinc/47/99/25/946479925.db2.gz NZIRNINNNJRMAU-JQWIXIFHSA-N -1 1 392.445 -0.872 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310847 946479920 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ODOFPFBGXLFWPF-UHFFFAOYSA-N -1 1 392.445 -0.312 20 0 GBADMM O=C1NCCN1CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571310854 946479484 /nfs/dbraw/zinc/47/94/84/946479484.db2.gz ODOFPFBGXLFWPF-UHFFFAOYSA-N -1 1 392.445 -0.312 20 0 GBADMM O=C(C[C@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310971 946480767 /nfs/dbraw/zinc/48/07/67/946480767.db2.gz ORDQCYISFDKNBR-GHMZBOCLSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C(C[C@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310971 946480765 /nfs/dbraw/zinc/48/07/65/946480765.db2.gz ORDQCYISFDKNBR-GHMZBOCLSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C(C[C@@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310972 946480556 /nfs/dbraw/zinc/48/05/56/946480556.db2.gz ORDQCYISFDKNBR-MNOVXSKESA-N -1 1 392.445 -0.363 20 0 GBADMM O=C(C[C@@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310972 946480554 /nfs/dbraw/zinc/48/05/54/946480554.db2.gz ORDQCYISFDKNBR-MNOVXSKESA-N -1 1 392.445 -0.363 20 0 GBADMM CCN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310974 946480822 /nfs/dbraw/zinc/48/08/22/946480822.db2.gz OSFVGAKYLQOLKE-LLVKDONJSA-N -1 1 392.445 -0.872 20 0 GBADMM CCN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310974 946480815 /nfs/dbraw/zinc/48/08/15/946480815.db2.gz OSFVGAKYLQOLKE-LLVKDONJSA-N -1 1 392.445 -0.872 20 0 GBADMM CCN(C(=O)C1CS(=O)(=O)C1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310975 946481185 /nfs/dbraw/zinc/48/11/85/946481185.db2.gz OSFVGAKYLQOLKE-NSHDSACASA-N -1 1 392.445 -0.872 20 0 GBADMM CCN(C(=O)C1CS(=O)(=O)C1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310975 946481179 /nfs/dbraw/zinc/48/11/79/946481179.db2.gz OSFVGAKYLQOLKE-NSHDSACASA-N -1 1 392.445 -0.872 20 0 GBADMM CC[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571310976 946481937 /nfs/dbraw/zinc/48/19/37/946481937.db2.gz OTTTUERFBILKEN-WDEREUQCSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001571310985 946481641 /nfs/dbraw/zinc/48/16/41/946481641.db2.gz OWWBKHSZMUSOQO-HFBDOXOYSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001571310985 946481634 /nfs/dbraw/zinc/48/16/34/946481634.db2.gz OWWBKHSZMUSOQO-HFBDOXOYSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001571310986 946481662 /nfs/dbraw/zinc/48/16/62/946481662.db2.gz OWWBKHSZMUSOQO-WMFXKJRFSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001571310986 946481654 /nfs/dbraw/zinc/48/16/54/946481654.db2.gz OWWBKHSZMUSOQO-WMFXKJRFSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571310999 946481924 /nfs/dbraw/zinc/48/19/24/946481924.db2.gz PHZXTVAGJCKDTO-BXKDBHETSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571310999 946481920 /nfs/dbraw/zinc/48/19/20/946481920.db2.gz PHZXTVAGJCKDTO-BXKDBHETSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571311000 946480972 /nfs/dbraw/zinc/48/09/72/946480972.db2.gz PHZXTVAGJCKDTO-CABZTGNLSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571311000 946480965 /nfs/dbraw/zinc/48/09/65/946480965.db2.gz PHZXTVAGJCKDTO-CABZTGNLSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571311001 946481580 /nfs/dbraw/zinc/48/15/80/946481580.db2.gz PHZXTVAGJCKDTO-JOYOIKCWSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571311001 946481576 /nfs/dbraw/zinc/48/15/76/946481576.db2.gz PHZXTVAGJCKDTO-JOYOIKCWSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571311002 946481232 /nfs/dbraw/zinc/48/12/32/946481232.db2.gz PHZXTVAGJCKDTO-SKDRFNHKSA-N -1 1 392.445 -0.650 20 0 GBADMM C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571311002 946481226 /nfs/dbraw/zinc/48/12/26/946481226.db2.gz PHZXTVAGJCKDTO-SKDRFNHKSA-N -1 1 392.445 -0.650 20 0 GBADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001571311034 946481089 /nfs/dbraw/zinc/48/10/89/946481089.db2.gz QGGQHIGXHUZEPR-JTQLQIEISA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001571311034 946481082 /nfs/dbraw/zinc/48/10/82/946481082.db2.gz QGGQHIGXHUZEPR-JTQLQIEISA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001571311035 946481779 /nfs/dbraw/zinc/48/17/79/946481779.db2.gz QGGQHIGXHUZEPR-SNVBAGLBSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001571311035 946481772 /nfs/dbraw/zinc/48/17/72/946481772.db2.gz QGGQHIGXHUZEPR-SNVBAGLBSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571311047 946483205 /nfs/dbraw/zinc/48/32/05/946483205.db2.gz QQAJZTISQAONJO-MNOVXSKESA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571311047 946483199 /nfs/dbraw/zinc/48/31/99/946483199.db2.gz QQAJZTISQAONJO-MNOVXSKESA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571311048 946483294 /nfs/dbraw/zinc/48/32/94/946483294.db2.gz QQAJZTISQAONJO-QWRGUYRKSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571311048 946483292 /nfs/dbraw/zinc/48/32/92/946483292.db2.gz QQAJZTISQAONJO-QWRGUYRKSA-N -1 1 392.445 -0.824 20 0 GBADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)CS(C)(=O)=O)n1 ZINC001571311054 946482545 /nfs/dbraw/zinc/48/25/45/946482545.db2.gz QVPWZEAYPYBXKD-UWVGGRQHSA-N -1 1 392.445 -0.947 20 0 GBADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)CS(C)(=O)=O)n1 ZINC001571311054 946482543 /nfs/dbraw/zinc/48/25/43/946482543.db2.gz QVPWZEAYPYBXKD-UWVGGRQHSA-N -1 1 392.445 -0.947 20 0 GBADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCS1(=O)=O ZINC001571311064 946482872 /nfs/dbraw/zinc/48/28/72/946482872.db2.gz RJYFFFLEZGQGAM-CMPLNLGQSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCS1(=O)=O ZINC001571311064 946482868 /nfs/dbraw/zinc/48/28/68/946482868.db2.gz RJYFFFLEZGQGAM-CMPLNLGQSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001571311105 946483145 /nfs/dbraw/zinc/48/31/45/946483145.db2.gz RJYFFFLEZGQGAM-JQWIXIFHSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001571311105 946483140 /nfs/dbraw/zinc/48/31/40/946483140.db2.gz RJYFFFLEZGQGAM-JQWIXIFHSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001571311107 946482788 /nfs/dbraw/zinc/48/27/88/946482788.db2.gz RJYFFFLEZGQGAM-PWSUYJOCSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCS1(=O)=O ZINC001571311107 946482783 /nfs/dbraw/zinc/48/27/83/946482783.db2.gz RJYFFFLEZGQGAM-PWSUYJOCSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCS1(=O)=O ZINC001571311109 946483620 /nfs/dbraw/zinc/48/36/20/946483620.db2.gz RJYFFFLEZGQGAM-ZYHUDNBSSA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCS1(=O)=O ZINC001571311109 946483608 /nfs/dbraw/zinc/48/36/08/946483608.db2.gz RJYFFFLEZGQGAM-ZYHUDNBSSA-N -1 1 392.445 -0.824 20 0 GBADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001571311222 946485254 /nfs/dbraw/zinc/48/52/54/946485254.db2.gz TZNZQHKKTIKXNE-UWVGGRQHSA-N -1 1 392.445 -0.731 20 0 GBADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001571311222 946485250 /nfs/dbraw/zinc/48/52/50/946485250.db2.gz TZNZQHKKTIKXNE-UWVGGRQHSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571311228 946485317 /nfs/dbraw/zinc/48/53/17/946485317.db2.gz UENSZJPNNRTMQJ-GXSJLCMTSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571311228 946485313 /nfs/dbraw/zinc/48/53/13/946485313.db2.gz UENSZJPNNRTMQJ-GXSJLCMTSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571311230 946485400 /nfs/dbraw/zinc/48/54/00/946485400.db2.gz UENSZJPNNRTMQJ-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571311230 946485395 /nfs/dbraw/zinc/48/53/95/946485395.db2.gz UENSZJPNNRTMQJ-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571311231 946484838 /nfs/dbraw/zinc/48/48/38/946484838.db2.gz UENSZJPNNRTMQJ-MWLCHTKSSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571311231 946484832 /nfs/dbraw/zinc/48/48/32/946484832.db2.gz UENSZJPNNRTMQJ-MWLCHTKSSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571311233 946485111 /nfs/dbraw/zinc/48/51/11/946485111.db2.gz UENSZJPNNRTMQJ-ONGXEEELSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571311233 946485107 /nfs/dbraw/zinc/48/51/07/946485107.db2.gz UENSZJPNNRTMQJ-ONGXEEELSA-N -1 1 392.445 -0.825 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571311239 946484817 /nfs/dbraw/zinc/48/48/17/946484817.db2.gz UNPLJSVWATZXCT-NSHDSACASA-N -1 1 392.445 -0.824 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571311239 946484812 /nfs/dbraw/zinc/48/48/12/946484812.db2.gz UNPLJSVWATZXCT-NSHDSACASA-N -1 1 392.445 -0.824 20 0 GBADMM O=C([C@H]1CCCS1(=O)=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571311278 946485227 /nfs/dbraw/zinc/48/52/27/946485227.db2.gz VGIFICOLGVDAMT-GFCCVEGCSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@H]1CCCS1(=O)=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571311278 946485225 /nfs/dbraw/zinc/48/52/25/946485225.db2.gz VGIFICOLGVDAMT-GFCCVEGCSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@@H]1CCCS1(=O)=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571311280 946485723 /nfs/dbraw/zinc/48/57/23/946485723.db2.gz VGIFICOLGVDAMT-LBPRGKRZSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@@H]1CCCS1(=O)=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571311280 946485716 /nfs/dbraw/zinc/48/57/16/946485716.db2.gz VGIFICOLGVDAMT-LBPRGKRZSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCS1(=O)=O ZINC001571311311 946485596 /nfs/dbraw/zinc/48/55/96/946485596.db2.gz WDKTVIYFLDJQSH-CMPLNLGQSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCS1(=O)=O ZINC001571311311 946485590 /nfs/dbraw/zinc/48/55/90/946485590.db2.gz WDKTVIYFLDJQSH-CMPLNLGQSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCS1(=O)=O ZINC001571311313 946484771 /nfs/dbraw/zinc/48/47/71/946484771.db2.gz WDKTVIYFLDJQSH-JQWIXIFHSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCS1(=O)=O ZINC001571311313 946484766 /nfs/dbraw/zinc/48/47/66/946484766.db2.gz WDKTVIYFLDJQSH-JQWIXIFHSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCS1(=O)=O ZINC001571311316 946485051 /nfs/dbraw/zinc/48/50/51/946485051.db2.gz WDKTVIYFLDJQSH-PWSUYJOCSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCS1(=O)=O ZINC001571311316 946485046 /nfs/dbraw/zinc/48/50/46/946485046.db2.gz WDKTVIYFLDJQSH-PWSUYJOCSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCS1(=O)=O ZINC001571311318 946484709 /nfs/dbraw/zinc/48/47/09/946484709.db2.gz WDKTVIYFLDJQSH-ZYHUDNBSSA-N -1 1 392.445 -0.681 20 0 GBADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCS1(=O)=O ZINC001571311318 946484702 /nfs/dbraw/zinc/48/47/02/946484702.db2.gz WDKTVIYFLDJQSH-ZYHUDNBSSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001571311320 946485331 /nfs/dbraw/zinc/48/53/31/946485331.db2.gz WEHZKECXFFOMSG-GXSJLCMTSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001571311320 946485326 /nfs/dbraw/zinc/48/53/26/946485326.db2.gz WEHZKECXFFOMSG-GXSJLCMTSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001571311323 946484878 /nfs/dbraw/zinc/48/48/78/946484878.db2.gz WEHZKECXFFOMSG-KOLCDFICSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001571311323 946484871 /nfs/dbraw/zinc/48/48/71/946484871.db2.gz WEHZKECXFFOMSG-KOLCDFICSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001571311325 946484660 /nfs/dbraw/zinc/48/46/60/946484660.db2.gz WEHZKECXFFOMSG-MWLCHTKSSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001571311325 946484654 /nfs/dbraw/zinc/48/46/54/946484654.db2.gz WEHZKECXFFOMSG-MWLCHTKSSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001571311327 946485136 /nfs/dbraw/zinc/48/51/36/946485136.db2.gz WEHZKECXFFOMSG-ONGXEEELSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001571311327 946485132 /nfs/dbraw/zinc/48/51/32/946485132.db2.gz WEHZKECXFFOMSG-ONGXEEELSA-N -1 1 392.445 -0.507 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571311392 946487356 /nfs/dbraw/zinc/48/73/56/946487356.db2.gz WQJCSEAQQPGYDA-LLVKDONJSA-N -1 1 392.445 -0.506 20 0 GBADMM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571311392 946487353 /nfs/dbraw/zinc/48/73/53/946487353.db2.gz WQJCSEAQQPGYDA-LLVKDONJSA-N -1 1 392.445 -0.506 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571311418 946486846 /nfs/dbraw/zinc/48/68/46/946486846.db2.gz WYXJXCFBSWYBJY-MXWKQRLJSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571311418 946486842 /nfs/dbraw/zinc/48/68/42/946486842.db2.gz WYXJXCFBSWYBJY-MXWKQRLJSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571311419 946486993 /nfs/dbraw/zinc/48/69/93/946486993.db2.gz WYXJXCFBSWYBJY-VWYCJHECSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571311419 946486989 /nfs/dbraw/zinc/48/69/89/946486989.db2.gz WYXJXCFBSWYBJY-VWYCJHECSA-N -1 1 392.445 -0.825 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571311428 946487570 /nfs/dbraw/zinc/48/75/70/946487570.db2.gz XGKHMGKWZOPFQP-HNNXBMFYSA-N -1 1 392.445 -0.870 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571311428 946487564 /nfs/dbraw/zinc/48/75/64/946487564.db2.gz XGKHMGKWZOPFQP-HNNXBMFYSA-N -1 1 392.445 -0.870 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571311429 946487389 /nfs/dbraw/zinc/48/73/89/946487389.db2.gz XGKHMGKWZOPFQP-OAHLLOKOSA-N -1 1 392.445 -0.870 20 0 GBADMM CS(=O)(=O)CC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571311429 946487384 /nfs/dbraw/zinc/48/73/84/946487384.db2.gz XGKHMGKWZOPFQP-OAHLLOKOSA-N -1 1 392.445 -0.870 20 0 GBADMM CS(=O)(=O)C1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571311434 946487286 /nfs/dbraw/zinc/48/72/86/946487286.db2.gz XLAARWMFXTWDFY-JTQLQIEISA-N -1 1 392.445 -0.941 20 0 GBADMM CS(=O)(=O)C1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571311435 946487901 /nfs/dbraw/zinc/48/79/01/946487901.db2.gz XLAARWMFXTWDFY-SNVBAGLBSA-N -1 1 392.445 -0.941 20 0 GBADMM O=C([C@@H]1CCCS1(=O)=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571311437 946487241 /nfs/dbraw/zinc/48/72/41/946487241.db2.gz XNXBCOXUHIWDRZ-PWSUYJOCSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@@H]1CCCS1(=O)=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571311437 946487236 /nfs/dbraw/zinc/48/72/36/946487236.db2.gz XNXBCOXUHIWDRZ-PWSUYJOCSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@H]1CCCS1(=O)=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571311438 946487167 /nfs/dbraw/zinc/48/71/67/946487167.db2.gz XNXBCOXUHIWDRZ-ZYHUDNBSSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C([C@H]1CCCS1(=O)=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571311438 946487160 /nfs/dbraw/zinc/48/71/60/946487160.db2.gz XNXBCOXUHIWDRZ-ZYHUDNBSSA-N -1 1 392.445 -0.363 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571311441 946486956 /nfs/dbraw/zinc/48/69/56/946486956.db2.gz XPMQETWGASBGSU-GARJFASQSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571311441 946486953 /nfs/dbraw/zinc/48/69/53/946486953.db2.gz XPMQETWGASBGSU-GARJFASQSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571311442 946487451 /nfs/dbraw/zinc/48/74/51/946487451.db2.gz XPMQETWGASBGSU-MXWKQRLJSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571311442 946487444 /nfs/dbraw/zinc/48/74/44/946487444.db2.gz XPMQETWGASBGSU-MXWKQRLJSA-N -1 1 392.445 -0.459 20 0 GBADMM C[C@@]1(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCCS1(=O)=O ZINC001571311461 946487036 /nfs/dbraw/zinc/48/70/36/946487036.db2.gz YEEDOIFFGNCXDY-HNNXBMFYSA-N -1 1 392.445 -0.727 20 0 GBADMM C[C@]1(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCCS1(=O)=O ZINC001571311462 946486967 /nfs/dbraw/zinc/48/69/67/946486967.db2.gz YEEDOIFFGNCXDY-OAHLLOKOSA-N -1 1 392.445 -0.727 20 0 GBADMM O=C(N[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001571311473 946487430 /nfs/dbraw/zinc/48/74/30/946487430.db2.gz YNTSMGDMEKVIHG-GHMZBOCLSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(N[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CS(=O)(=O)C1 ZINC001571311473 946487424 /nfs/dbraw/zinc/48/74/24/946487424.db2.gz YNTSMGDMEKVIHG-GHMZBOCLSA-N -1 1 392.445 -0.459 20 0 GBADMM O=C(N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CS(=O)(=O)C1 ZINC001571311474 946487585 /nfs/dbraw/zinc/48/75/85/946487585.db2.gz YNTSMGDMEKVIHG-MNOVXSKESA-N -1 1 392.445 -0.459 20 0 GBADMM 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FPTYGYUZXUKTHS-HUUCEWRRSA-N -1 1 392.423 -0.263 20 0 GBADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C1Cc2ccccc2C1 ZINC001571312484 946494030 /nfs/dbraw/zinc/49/40/30/946494030.db2.gz FPTYGYUZXUKTHS-HUUCEWRRSA-N -1 1 392.423 -0.263 20 0 GBADMM O=C([C@@H]1CCc2ncncc2C1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571312498 946493653 /nfs/dbraw/zinc/49/36/53/946493653.db2.gz GAUQQPSCGFPZEZ-GFCCVEGCSA-N -1 1 392.427 -0.100 20 0 GBADMM O=C([C@@H]1CCc2ncncc2C1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571312498 946493641 /nfs/dbraw/zinc/49/36/41/946493641.db2.gz GAUQQPSCGFPZEZ-GFCCVEGCSA-N -1 1 392.427 -0.100 20 0 GBADMM O=C([C@H]1CCc2ncncc2C1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571312499 946493038 /nfs/dbraw/zinc/49/30/38/946493038.db2.gz GAUQQPSCGFPZEZ-LBPRGKRZSA-N -1 1 392.427 -0.100 20 0 GBADMM O=C([C@H]1CCc2ncncc2C1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571312499 946493029 /nfs/dbraw/zinc/49/30/29/946493029.db2.gz GAUQQPSCGFPZEZ-LBPRGKRZSA-N -1 1 392.427 -0.100 20 0 GBADMM 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O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2ncncc2C1 ZINC001571312617 946495361 /nfs/dbraw/zinc/49/53/61/946495361.db2.gz IXNYZKMQLQHXIQ-WCQYABFASA-N -1 1 392.427 -0.053 20 0 GBADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2ncncc2C1 ZINC001571312617 946495355 /nfs/dbraw/zinc/49/53/55/946495355.db2.gz IXNYZKMQLQHXIQ-WCQYABFASA-N -1 1 392.427 -0.053 20 0 GBADMM CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001571312777 946501181 /nfs/dbraw/zinc/50/11/81/946501181.db2.gz KDXFQTOEGBTJDN-IMRBUKKESA-N -1 1 392.427 -0.018 20 0 GBADMM CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001571312777 946501174 /nfs/dbraw/zinc/50/11/74/946501174.db2.gz KDXFQTOEGBTJDN-IMRBUKKESA-N -1 1 392.427 -0.018 20 0 GBADMM O=C(CCc1cnccn1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571313082 946510164 /nfs/dbraw/zinc/51/01/64/946510164.db2.gz NCBDYHMMRJHJMM-BETUJISGSA-N -1 1 392.427 -0.026 20 0 GBADMM Cn1nc2c(c1C(=O)N1C[C@@H]3C[C@H]1CN3c1ccnc(-c3nn[n-]n3)n1)CCC2 ZINC001571313125 946513616 /nfs/dbraw/zinc/51/36/16/946513616.db2.gz OMKKWISDKWRPIE-QWRGUYRKSA-N -1 1 392.427 -0.018 20 0 GBADMM O=C([C@@H]1CCc2nccn2C1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571313293 946518633 /nfs/dbraw/zinc/51/86/33/946518633.db2.gz PQHSUKKIBMWPCI-AGIUHOORSA-N -1 1 392.427 -0.095 20 0 GBADMM O=C([C@@H]1CCc2nccn2C1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571313293 946518630 /nfs/dbraw/zinc/51/86/30/946518630.db2.gz PQHSUKKIBMWPCI-AGIUHOORSA-N -1 1 392.427 -0.095 20 0 GBADMM O=C([C@H]1CCc2nccn2C1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571313297 946518726 /nfs/dbraw/zinc/51/87/26/946518726.db2.gz PQHSUKKIBMWPCI-AVGNSLFASA-N -1 1 392.427 -0.095 20 0 GBADMM O=C([C@H]1CCc2nccn2C1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571313297 946518715 /nfs/dbraw/zinc/51/87/15/946518715.db2.gz PQHSUKKIBMWPCI-AVGNSLFASA-N -1 1 392.427 -0.095 20 0 GBADMM O=C(NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cn2c(n1)CCC2 ZINC001571313680 946530804 /nfs/dbraw/zinc/53/08/04/946530804.db2.gz VLTNYJBENJBUJB-CNDDSTCGSA-N -1 1 392.427 -0.088 20 0 GBADMM COc1ncc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1Cl ZINC001571317409 946608121 /nfs/dbraw/zinc/60/81/21/946608121.db2.gz GYAMVGXLQUAQJX-UHFFFAOYSA-N -1 1 392.763 -0.384 20 0 GBADMM NS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001571317494 946611576 /nfs/dbraw/zinc/61/15/76/946611576.db2.gz JZCYYFKGTDZMQB-MRVPVSSYSA-N -1 1 392.488 -0.632 20 0 GBADMM NS(=O)(=O)C[C@H]1CCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001571317495 946610610 /nfs/dbraw/zinc/61/06/10/946610610.db2.gz JZCYYFKGTDZMQB-QMMMGPOBSA-N -1 1 392.488 -0.632 20 0 GBADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)CN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571317545 946613006 /nfs/dbraw/zinc/61/30/06/946613006.db2.gz LYFIFVWFTYUAIH-ZYHUDNBSSA-N -1 1 392.489 -0.095 20 0 GBADMM O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571317721 946619035 /nfs/dbraw/zinc/61/90/35/946619035.db2.gz SNLFKYDZKQRDDM-MRVPVSSYSA-N -1 1 392.488 -0.433 20 0 GBADMM O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571317721 946619031 /nfs/dbraw/zinc/61/90/31/946619031.db2.gz SNLFKYDZKQRDDM-MRVPVSSYSA-N -1 1 392.488 -0.433 20 0 GBADMM O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571317722 946619607 /nfs/dbraw/zinc/61/96/07/946619607.db2.gz SNLFKYDZKQRDDM-QMMMGPOBSA-N -1 1 392.488 -0.433 20 0 GBADMM O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571317722 946619601 /nfs/dbraw/zinc/61/96/01/946619601.db2.gz SNLFKYDZKQRDDM-QMMMGPOBSA-N -1 1 392.488 -0.433 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nn[n-]n5)s4)C[C@H]32)nn1 ZINC001571317803 946621779 /nfs/dbraw/zinc/62/17/79/946621779.db2.gz VZZVMHMQHVDFLW-BDINMYNLSA-N -1 1 392.836 -0.030 20 0 GBADMM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nnn[n-]5)s4)C[C@H]32)nn1 ZINC001571317803 946621773 /nfs/dbraw/zinc/62/17/73/946621773.db2.gz VZZVMHMQHVDFLW-BDINMYNLSA-N -1 1 392.836 -0.030 20 0 GBADMM C=CS(=O)(=O)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001573352030 947624127 /nfs/dbraw/zinc/62/41/27/947624127.db2.gz YQJIDPBAWYKCDM-LLVKDONJSA-N -1 1 392.445 -0.358 20 0 GBADMM C=CS(=O)(=O)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001573352030 947624119 /nfs/dbraw/zinc/62/41/19/947624119.db2.gz YQJIDPBAWYKCDM-LLVKDONJSA-N -1 1 392.445 -0.358 20 0 GBADMM C=CS(=O)(=O)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001573352032 947622748 /nfs/dbraw/zinc/62/27/48/947622748.db2.gz YQJIDPBAWYKCDM-NSHDSACASA-N -1 1 392.445 -0.358 20 0 GBADMM C=CS(=O)(=O)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001573352032 947622740 /nfs/dbraw/zinc/62/27/40/947622740.db2.gz YQJIDPBAWYKCDM-NSHDSACASA-N -1 1 392.445 -0.358 20 0 GBADMM C=Cc1ccc(S(=O)(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001573359437 947685757 /nfs/dbraw/zinc/68/57/57/947685757.db2.gz STCQGJQBWDNTBW-UHFFFAOYSA-N -1 1 389.397 -0.250 20 0 GBADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573364725 947725415 /nfs/dbraw/zinc/72/54/15/947725415.db2.gz JAYGMQJJPZKREK-CYBMUJFWSA-N -1 1 383.368 -0.555 20 0 GBADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573364733 947725264 /nfs/dbraw/zinc/72/52/64/947725264.db2.gz JAYGMQJJPZKREK-ZDUSSCGKSA-N -1 1 383.368 -0.555 20 0 GBADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001573365910 947735102 /nfs/dbraw/zinc/73/51/02/947735102.db2.gz OAUQMPJUPCCYDU-CYBMUJFWSA-N -1 1 383.368 -0.555 20 0 GBADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001573365914 947734873 /nfs/dbraw/zinc/73/48/73/947734873.db2.gz OAUQMPJUPCCYDU-ZDUSSCGKSA-N -1 1 383.368 -0.555 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573367586 947762048 /nfs/dbraw/zinc/76/20/48/947762048.db2.gz FNHDYYIRRXMFAN-GFCCVEGCSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573367590 947760696 /nfs/dbraw/zinc/76/06/96/947760696.db2.gz FNHDYYIRRXMFAN-LBPRGKRZSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573368387 947769058 /nfs/dbraw/zinc/76/90/58/947769058.db2.gz NYZOBHXAAHHNFR-GFCCVEGCSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573368387 947769050 /nfs/dbraw/zinc/76/90/50/947769050.db2.gz NYZOBHXAAHHNFR-GFCCVEGCSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573368388 947769531 /nfs/dbraw/zinc/76/95/31/947769531.db2.gz NYZOBHXAAHHNFR-LBPRGKRZSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573368388 947769528 /nfs/dbraw/zinc/76/95/28/947769528.db2.gz NYZOBHXAAHHNFR-LBPRGKRZSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573369652 947776113 /nfs/dbraw/zinc/77/61/13/947776113.db2.gz WBZDUSBSIZZDHZ-GFCCVEGCSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573369652 947776106 /nfs/dbraw/zinc/77/61/06/947776106.db2.gz WBZDUSBSIZZDHZ-GFCCVEGCSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573369653 947776638 /nfs/dbraw/zinc/77/66/38/947776638.db2.gz WBZDUSBSIZZDHZ-LBPRGKRZSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573369653 947776629 /nfs/dbraw/zinc/77/66/29/947776629.db2.gz WBZDUSBSIZZDHZ-LBPRGKRZSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573369784 947776193 /nfs/dbraw/zinc/77/61/93/947776193.db2.gz WMKUBXXWBXGOKB-GFCCVEGCSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573369784 947776185 /nfs/dbraw/zinc/77/61/85/947776185.db2.gz WMKUBXXWBXGOKB-GFCCVEGCSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573369785 947776218 /nfs/dbraw/zinc/77/62/18/947776218.db2.gz WMKUBXXWBXGOKB-LBPRGKRZSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573369785 947776211 /nfs/dbraw/zinc/77/62/11/947776211.db2.gz WMKUBXXWBXGOKB-LBPRGKRZSA-N -1 1 376.421 -0.329 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573369935 947779721 /nfs/dbraw/zinc/77/97/21/947779721.db2.gz ZSDLKMKWRJCZDS-CYBMUJFWSA-N -1 1 390.448 -0.020 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573369935 947779714 /nfs/dbraw/zinc/77/97/14/947779714.db2.gz ZSDLKMKWRJCZDS-CYBMUJFWSA-N -1 1 390.448 -0.020 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573369936 947780271 /nfs/dbraw/zinc/78/02/71/947780271.db2.gz ZSDLKMKWRJCZDS-ZDUSSCGKSA-N -1 1 390.448 -0.020 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573369936 947780268 /nfs/dbraw/zinc/78/02/68/947780268.db2.gz ZSDLKMKWRJCZDS-ZDUSSCGKSA-N -1 1 390.448 -0.020 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573369941 947780247 /nfs/dbraw/zinc/78/02/47/947780247.db2.gz ZWQKTLGHNZVXRE-GFCCVEGCSA-N -1 1 376.421 -0.044 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573369941 947780244 /nfs/dbraw/zinc/78/02/44/947780244.db2.gz ZWQKTLGHNZVXRE-GFCCVEGCSA-N -1 1 376.421 -0.044 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573369942 947780375 /nfs/dbraw/zinc/78/03/75/947780375.db2.gz ZWQKTLGHNZVXRE-LBPRGKRZSA-N -1 1 376.421 -0.044 20 0 GBADMM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573369942 947780370 /nfs/dbraw/zinc/78/03/70/947780370.db2.gz ZWQKTLGHNZVXRE-LBPRGKRZSA-N -1 1 376.421 -0.044 20 0 GBADMM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573373030 947787750 /nfs/dbraw/zinc/78/77/50/947787750.db2.gz AEVKHRQQNRXJBY-KRWDZBQOSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573373031 947788835 /nfs/dbraw/zinc/78/88/35/947788835.db2.gz AEVKHRQQNRXJBY-QGZVFWFLSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573373444 947792196 /nfs/dbraw/zinc/79/21/96/947792196.db2.gz CLUWWNKHDKUTQT-UHFFFAOYSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573373444 947792186 /nfs/dbraw/zinc/79/21/86/947792186.db2.gz CLUWWNKHDKUTQT-UHFFFAOYSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573374066 947804278 /nfs/dbraw/zinc/80/42/78/947804278.db2.gz HLKDFWXPQZJUEE-UHFFFAOYSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573374078 947803957 /nfs/dbraw/zinc/80/39/57/947803957.db2.gz HMDXYXMHDKKOBI-KRWDZBQOSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573374078 947803953 /nfs/dbraw/zinc/80/39/53/947803953.db2.gz HMDXYXMHDKKOBI-KRWDZBQOSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573374080 947804332 /nfs/dbraw/zinc/80/43/32/947804332.db2.gz HMDXYXMHDKKOBI-QGZVFWFLSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573374080 947804318 /nfs/dbraw/zinc/80/43/18/947804318.db2.gz HMDXYXMHDKKOBI-QGZVFWFLSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573374104 947804148 /nfs/dbraw/zinc/80/41/48/947804148.db2.gz MNIKXCUPWZXMPX-KRWDZBQOSA-N -1 1 388.432 -0.397 20 0 GBADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573374110 947804411 /nfs/dbraw/zinc/80/44/11/947804411.db2.gz MNIKXCUPWZXMPX-QGZVFWFLSA-N -1 1 388.432 -0.397 20 0 GBADMM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573374736 947814121 /nfs/dbraw/zinc/81/41/21/947814121.db2.gz LMGLLNNMSCREHP-KRWDZBQOSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573374736 947814113 /nfs/dbraw/zinc/81/41/13/947814113.db2.gz LMGLLNNMSCREHP-KRWDZBQOSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573374739 947814142 /nfs/dbraw/zinc/81/41/42/947814142.db2.gz LMGLLNNMSCREHP-QGZVFWFLSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573374739 947814135 /nfs/dbraw/zinc/81/41/35/947814135.db2.gz LMGLLNNMSCREHP-QGZVFWFLSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573376450 947838466 /nfs/dbraw/zinc/83/84/66/947838466.db2.gz VOESDIXFIBYCNH-UHFFFAOYSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573376450 947838461 /nfs/dbraw/zinc/83/84/61/947838461.db2.gz VOESDIXFIBYCNH-UHFFFAOYSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376646 947840668 /nfs/dbraw/zinc/84/06/68/947840668.db2.gz AIKLDNHDFJUEGW-CYBMUJFWSA-N -1 1 388.432 -0.133 20 0 GBADMM CC(=O)CCCC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376650 947840302 /nfs/dbraw/zinc/84/03/02/947840302.db2.gz AIKLDNHDFJUEGW-ZDUSSCGKSA-N -1 1 388.432 -0.133 20 0 GBADMM CC(=O)CCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573376807 947841665 /nfs/dbraw/zinc/84/16/65/947841665.db2.gz YGXWALWBYPGEAA-UHFFFAOYSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573376807 947841656 /nfs/dbraw/zinc/84/16/56/947841656.db2.gz YGXWALWBYPGEAA-UHFFFAOYSA-N -1 1 388.432 -0.137 20 0 GBADMM CC(=O)CCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573380762 947863066 /nfs/dbraw/zinc/86/30/66/947863066.db2.gz HRDZSSAPIWEJGE-UHFFFAOYSA-N -1 1 388.432 -0.085 20 0 GBADMM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573381277 947872612 /nfs/dbraw/zinc/87/26/12/947872612.db2.gz SNBYKXLALJUZRQ-KRWDZBQOSA-N -1 1 388.432 -0.218 20 0 GBADMM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573381277 947872607 /nfs/dbraw/zinc/87/26/07/947872607.db2.gz SNBYKXLALJUZRQ-KRWDZBQOSA-N -1 1 388.432 -0.218 20 0 GBADMM CC(=O)CCCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573381282 947872173 /nfs/dbraw/zinc/87/21/73/947872173.db2.gz SNBYKXLALJUZRQ-QGZVFWFLSA-N -1 1 388.432 -0.218 20 0 GBADMM CC(=O)CCCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573381282 947872166 /nfs/dbraw/zinc/87/21/66/947872166.db2.gz SNBYKXLALJUZRQ-QGZVFWFLSA-N -1 1 388.432 -0.218 20 0 GBADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573381286 947872319 /nfs/dbraw/zinc/87/23/19/947872319.db2.gz SONAPFDULAGHKX-GXTWGEPZSA-N -1 1 388.432 -0.220 20 0 GBADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001573381286 947872312 /nfs/dbraw/zinc/87/23/12/947872312.db2.gz SONAPFDULAGHKX-GXTWGEPZSA-N -1 1 388.432 -0.220 20 0 GBADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573381290 947872802 /nfs/dbraw/zinc/87/28/02/947872802.db2.gz SONAPFDULAGHKX-JSGCOSHPSA-N -1 1 388.432 -0.220 20 0 GBADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001573381290 947872797 /nfs/dbraw/zinc/87/27/97/947872797.db2.gz SONAPFDULAGHKX-JSGCOSHPSA-N -1 1 388.432 -0.220 20 0 GBADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573381292 947873333 /nfs/dbraw/zinc/87/33/33/947873333.db2.gz SONAPFDULAGHKX-OCCSQVGLSA-N -1 1 388.432 -0.220 20 0 GBADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001573381292 947873329 /nfs/dbraw/zinc/87/33/29/947873329.db2.gz SONAPFDULAGHKX-OCCSQVGLSA-N -1 1 388.432 -0.220 20 0 GBADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573381294 947872230 /nfs/dbraw/zinc/87/22/30/947872230.db2.gz SONAPFDULAGHKX-TZMCWYRMSA-N -1 1 388.432 -0.220 20 0 GBADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001573381294 947872223 /nfs/dbraw/zinc/87/22/23/947872223.db2.gz SONAPFDULAGHKX-TZMCWYRMSA-N -1 1 388.432 -0.220 20 0 GBADMM CC(=O)CCCC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573382728 947886107 /nfs/dbraw/zinc/88/61/07/947886107.db2.gz JXHPKSUBDROHMF-UHFFFAOYSA-N -1 1 387.448 -0.346 20 0 GBADMM CC(=O)CCCC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573382728 947886099 /nfs/dbraw/zinc/88/60/99/947886099.db2.gz JXHPKSUBDROHMF-UHFFFAOYSA-N -1 1 387.448 -0.346 20 0 GBADMM CC(=O)CCCC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573382862 947888244 /nfs/dbraw/zinc/88/82/44/947888244.db2.gz LLMAURKIJAHUCC-UHFFFAOYSA-N -1 1 387.448 -0.346 20 0 GBADMM CC(=O)CCCC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573382862 947888233 /nfs/dbraw/zinc/88/82/33/947888233.db2.gz LLMAURKIJAHUCC-UHFFFAOYSA-N -1 1 387.448 -0.346 20 0 GBADMM CC(=O)CCCC(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573383772 947895320 /nfs/dbraw/zinc/89/53/20/947895320.db2.gz WRTUZTMFHIJKQX-UHFFFAOYSA-N -1 1 387.448 -0.346 20 0 GBADMM CC(=O)CCCC(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573383772 947895315 /nfs/dbraw/zinc/89/53/15/947895315.db2.gz WRTUZTMFHIJKQX-UHFFFAOYSA-N -1 1 387.448 -0.346 20 0 GBADMM CC(=O)CCCC(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573383822 947894329 /nfs/dbraw/zinc/89/43/29/947894329.db2.gz XTISHGRQLYHCLX-UHFFFAOYSA-N -1 1 387.448 -0.346 20 0 GBADMM CC(=O)N(C)CC(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573387526 947910807 /nfs/dbraw/zinc/91/08/07/947910807.db2.gz BOBRDIGPLVKJIV-UHFFFAOYSA-N -1 1 375.437 -0.192 20 0 GBADMM CC(=O)N(C)CC(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573387526 947910799 /nfs/dbraw/zinc/91/07/99/947910799.db2.gz BOBRDIGPLVKJIV-UHFFFAOYSA-N -1 1 375.437 -0.192 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)CC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573387861 947913473 /nfs/dbraw/zinc/91/34/73/947913473.db2.gz FHSFNZGWOMJEKT-CYBMUJFWSA-N -1 1 389.464 -0.158 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)CC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573387862 947913592 /nfs/dbraw/zinc/91/35/92/947913592.db2.gz FHSFNZGWOMJEKT-ZDUSSCGKSA-N -1 1 389.464 -0.158 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573387918 947914736 /nfs/dbraw/zinc/91/47/36/947914736.db2.gz GHVVZHWDJZSJJR-GWCFXTLKSA-N -1 1 387.448 -0.050 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573387918 947914728 /nfs/dbraw/zinc/91/47/28/947914728.db2.gz GHVVZHWDJZSJJR-GWCFXTLKSA-N -1 1 387.448 -0.050 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573387922 947915214 /nfs/dbraw/zinc/91/52/14/947915214.db2.gz GHVVZHWDJZSJJR-GXFFZTMASA-N -1 1 387.448 -0.050 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573387922 947915206 /nfs/dbraw/zinc/91/52/06/947915206.db2.gz GHVVZHWDJZSJJR-GXFFZTMASA-N -1 1 387.448 -0.050 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573387923 947915686 /nfs/dbraw/zinc/91/56/86/947915686.db2.gz GHVVZHWDJZSJJR-MFKMUULPSA-N -1 1 387.448 -0.050 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573387923 947915677 /nfs/dbraw/zinc/91/56/77/947915677.db2.gz GHVVZHWDJZSJJR-MFKMUULPSA-N -1 1 387.448 -0.050 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573387924 947915716 /nfs/dbraw/zinc/91/57/16/947915716.db2.gz GHVVZHWDJZSJJR-ZWNOBZJWSA-N -1 1 387.448 -0.050 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573387924 947915706 /nfs/dbraw/zinc/91/57/06/947915706.db2.gz GHVVZHWDJZSJJR-ZWNOBZJWSA-N -1 1 387.448 -0.050 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573388108 947915323 /nfs/dbraw/zinc/91/53/23/947915323.db2.gz IBCCXPFISVDKRL-UHFFFAOYSA-N -1 1 387.448 -0.129 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573388108 947915315 /nfs/dbraw/zinc/91/53/15/947915315.db2.gz IBCCXPFISVDKRL-UHFFFAOYSA-N -1 1 387.448 -0.129 20 0 GBADMM CC(=O)N(C)CC(=O)N(CCO)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573388169 947916455 /nfs/dbraw/zinc/91/64/55/947916455.db2.gz IZGQENPLULBYHO-UHFFFAOYSA-N -1 1 382.450 -0.657 20 0 GBADMM CC(=O)N(C)CC(=O)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573388273 947917600 /nfs/dbraw/zinc/91/76/00/947917600.db2.gz KCRCSUITTQTMAK-UHFFFAOYSA-N -1 1 375.437 -0.192 20 0 GBADMM CC(=O)N(C)CC(=O)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573388273 947917591 /nfs/dbraw/zinc/91/75/91/947917591.db2.gz KCRCSUITTQTMAK-UHFFFAOYSA-N -1 1 375.437 -0.192 20 0 GBADMM CC(=O)N(C)CC(=O)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573388340 947919274 /nfs/dbraw/zinc/91/92/74/947919274.db2.gz LDHHPTPTKZNKBL-UHFFFAOYSA-N -1 1 375.437 -0.192 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)CCOCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573388365 947919151 /nfs/dbraw/zinc/91/91/51/947919151.db2.gz LPXVGMBGZXWVER-UHFFFAOYSA-N -1 1 391.436 -0.954 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)CCOCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573388365 947919146 /nfs/dbraw/zinc/91/91/46/947919146.db2.gz LPXVGMBGZXWVER-UHFFFAOYSA-N -1 1 391.436 -0.954 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)CCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573389011 947922814 /nfs/dbraw/zinc/92/28/14/947922814.db2.gz OXPKDJLISWKSSC-UHFFFAOYSA-N -1 1 375.437 -0.272 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)CCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573389011 947922806 /nfs/dbraw/zinc/92/28/06/947922806.db2.gz OXPKDJLISWKSSC-UHFFFAOYSA-N -1 1 375.437 -0.272 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)CCOCCNc1nccnc1-c1nn[n-]n1 ZINC001573389525 947926561 /nfs/dbraw/zinc/92/65/61/947926561.db2.gz SABRFIIXXDUFAU-UHFFFAOYSA-N -1 1 377.409 -0.978 20 0 GBADMM CC(=O)N(C)CC(=O)N(C)CCOCCNc1nccnc1-c1nnn[n-]1 ZINC001573389525 947926557 /nfs/dbraw/zinc/92/65/57/947926557.db2.gz SABRFIIXXDUFAU-UHFFFAOYSA-N -1 1 377.409 -0.978 20 0 GBADMM CC(=O)N(C)CC(=O)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573389533 947926690 /nfs/dbraw/zinc/92/66/90/947926690.db2.gz SDFZKPHOXQZGEN-UHFFFAOYSA-N -1 1 375.437 -0.192 20 0 GBADMM CC(=O)N(C)CC(=O)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573389533 947926688 /nfs/dbraw/zinc/92/66/88/947926688.db2.gz SDFZKPHOXQZGEN-UHFFFAOYSA-N -1 1 375.437 -0.192 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573390704 947932397 /nfs/dbraw/zinc/93/23/97/947932397.db2.gz APJYMMSGVWWOCT-CYBMUJFWSA-N -1 1 387.448 -0.129 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573390704 947932391 /nfs/dbraw/zinc/93/23/91/947932391.db2.gz APJYMMSGVWWOCT-CYBMUJFWSA-N -1 1 387.448 -0.129 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573390705 947932001 /nfs/dbraw/zinc/93/20/01/947932001.db2.gz APJYMMSGVWWOCT-ZDUSSCGKSA-N -1 1 387.448 -0.129 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573390705 947931990 /nfs/dbraw/zinc/93/19/90/947931990.db2.gz APJYMMSGVWWOCT-ZDUSSCGKSA-N -1 1 387.448 -0.129 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573390726 947931291 /nfs/dbraw/zinc/93/12/91/947931291.db2.gz BMBCJKYDGBOQIG-CYBMUJFWSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573390726 947931286 /nfs/dbraw/zinc/93/12/86/947931286.db2.gz BMBCJKYDGBOQIG-CYBMUJFWSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573390727 947931707 /nfs/dbraw/zinc/93/17/07/947931707.db2.gz BMBCJKYDGBOQIG-ZDUSSCGKSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573390727 947931705 /nfs/dbraw/zinc/93/17/05/947931705.db2.gz BMBCJKYDGBOQIG-ZDUSSCGKSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573390777 947931373 /nfs/dbraw/zinc/93/13/73/947931373.db2.gz CEIWEGHMPCSUGR-CYBMUJFWSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573390779 947931629 /nfs/dbraw/zinc/93/16/29/947931629.db2.gz CEIWEGHMPCSUGR-ZDUSSCGKSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573390836 947931354 /nfs/dbraw/zinc/93/13/54/947931354.db2.gz CWEFFDLASLPLIV-GWCFXTLKSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573390836 947931351 /nfs/dbraw/zinc/93/13/51/947931351.db2.gz CWEFFDLASLPLIV-GWCFXTLKSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573390853 947932279 /nfs/dbraw/zinc/93/22/79/947932279.db2.gz CWEFFDLASLPLIV-GXFFZTMASA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573390853 947932272 /nfs/dbraw/zinc/93/22/72/947932272.db2.gz CWEFFDLASLPLIV-GXFFZTMASA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573390855 947931460 /nfs/dbraw/zinc/93/14/60/947931460.db2.gz CWEFFDLASLPLIV-MFKMUULPSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573390855 947931454 /nfs/dbraw/zinc/93/14/54/947931454.db2.gz CWEFFDLASLPLIV-MFKMUULPSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573390860 947931555 /nfs/dbraw/zinc/93/15/55/947931555.db2.gz CWEFFDLASLPLIV-ZWNOBZJWSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573390860 947931550 /nfs/dbraw/zinc/93/15/50/947931550.db2.gz CWEFFDLASLPLIV-ZWNOBZJWSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573390884 947932528 /nfs/dbraw/zinc/93/25/28/947932528.db2.gz DIOLHSDUNPCLAR-CYBMUJFWSA-N -1 1 387.448 -0.260 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573390901 947932411 /nfs/dbraw/zinc/93/24/11/947932411.db2.gz DIOLHSDUNPCLAR-ZDUSSCGKSA-N -1 1 387.448 -0.260 20 0 GBADMM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573391208 947934622 /nfs/dbraw/zinc/93/46/22/947934622.db2.gz FQKVTNFWHVNUJF-GXTWGEPZSA-N -1 1 385.432 -0.519 20 0 GBADMM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573391208 947934616 /nfs/dbraw/zinc/93/46/16/947934616.db2.gz FQKVTNFWHVNUJF-GXTWGEPZSA-N -1 1 385.432 -0.519 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573391225 947933882 /nfs/dbraw/zinc/93/38/82/947933882.db2.gz FUAFDNVPBHYANX-QWHCGFSZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573391754 947935734 /nfs/dbraw/zinc/93/57/34/947935734.db2.gz JHJCDSZNWJXCCV-GWCFXTLKSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573391754 947935730 /nfs/dbraw/zinc/93/57/30/947935730.db2.gz JHJCDSZNWJXCCV-GWCFXTLKSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573391755 947936198 /nfs/dbraw/zinc/93/61/98/947936198.db2.gz JHJCDSZNWJXCCV-GXFFZTMASA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573391755 947936191 /nfs/dbraw/zinc/93/61/91/947936191.db2.gz JHJCDSZNWJXCCV-GXFFZTMASA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573391756 947936032 /nfs/dbraw/zinc/93/60/32/947936032.db2.gz JHJCDSZNWJXCCV-MFKMUULPSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573391756 947936029 /nfs/dbraw/zinc/93/60/29/947936029.db2.gz JHJCDSZNWJXCCV-MFKMUULPSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573391757 947936888 /nfs/dbraw/zinc/93/68/88/947936888.db2.gz JHJCDSZNWJXCCV-ZWNOBZJWSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573391757 947936884 /nfs/dbraw/zinc/93/68/84/947936884.db2.gz JHJCDSZNWJXCCV-ZWNOBZJWSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573391940 947938195 /nfs/dbraw/zinc/93/81/95/947938195.db2.gz MJYNUXLDLYDOSX-DGCLKSJQSA-N -1 1 387.448 -0.547 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573391941 947938501 /nfs/dbraw/zinc/93/85/01/947938501.db2.gz MMUPVGSIEORUHM-CHWSQXEVSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573391942 947938180 /nfs/dbraw/zinc/93/81/80/947938180.db2.gz MMUPVGSIEORUHM-OLZOCXBDSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573391944 947937425 /nfs/dbraw/zinc/93/74/25/947937425.db2.gz MMUPVGSIEORUHM-QWHCGFSZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573391946 947937828 /nfs/dbraw/zinc/93/78/28/947937828.db2.gz MMUPVGSIEORUHM-STQMWFEESA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573391954 947937496 /nfs/dbraw/zinc/93/74/96/947937496.db2.gz MQYZEQQACLREBR-GXTWGEPZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573391954 947937488 /nfs/dbraw/zinc/93/74/88/947937488.db2.gz MQYZEQQACLREBR-GXTWGEPZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573391987 947939544 /nfs/dbraw/zinc/93/95/44/947939544.db2.gz OAFQLYPXFOUPQU-CYBMUJFWSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573391987 947939536 /nfs/dbraw/zinc/93/95/36/947939536.db2.gz OAFQLYPXFOUPQU-CYBMUJFWSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573391988 947940390 /nfs/dbraw/zinc/94/03/90/947940390.db2.gz OAFQLYPXFOUPQU-ZDUSSCGKSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573391988 947940381 /nfs/dbraw/zinc/94/03/81/947940381.db2.gz OAFQLYPXFOUPQU-ZDUSSCGKSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573392005 947939683 /nfs/dbraw/zinc/93/96/83/947939683.db2.gz OUFYSMVPOKKWCX-CMPLNLGQSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573392005 947939674 /nfs/dbraw/zinc/93/96/74/947939674.db2.gz OUFYSMVPOKKWCX-CMPLNLGQSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573392006 947940643 /nfs/dbraw/zinc/94/06/43/947940643.db2.gz OUFYSMVPOKKWCX-JQWIXIFHSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573392006 947940637 /nfs/dbraw/zinc/94/06/37/947940637.db2.gz OUFYSMVPOKKWCX-JQWIXIFHSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573392007 947940933 /nfs/dbraw/zinc/94/09/33/947940933.db2.gz OUFYSMVPOKKWCX-PWSUYJOCSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573392007 947940929 /nfs/dbraw/zinc/94/09/29/947940929.db2.gz OUFYSMVPOKKWCX-PWSUYJOCSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573392008 947939631 /nfs/dbraw/zinc/93/96/31/947939631.db2.gz OUFYSMVPOKKWCX-ZYHUDNBSSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573392008 947939623 /nfs/dbraw/zinc/93/96/23/947939623.db2.gz OUFYSMVPOKKWCX-ZYHUDNBSSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573392009 947940031 /nfs/dbraw/zinc/94/00/31/947940031.db2.gz OXRKDPCEYCLSJA-QWHCGFSZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573392009 947940025 /nfs/dbraw/zinc/94/00/25/947940025.db2.gz OXRKDPCEYCLSJA-QWHCGFSZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573392011 947939431 /nfs/dbraw/zinc/93/94/31/947939431.db2.gz OXYUDAZRBOBASD-KBPBESRZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573392011 947939428 /nfs/dbraw/zinc/93/94/28/947939428.db2.gz OXYUDAZRBOBASD-KBPBESRZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573392012 947940085 /nfs/dbraw/zinc/94/00/85/947940085.db2.gz OXYUDAZRBOBASD-KGLIPLIRSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573392012 947940081 /nfs/dbraw/zinc/94/00/81/947940081.db2.gz OXYUDAZRBOBASD-KGLIPLIRSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573392013 947940710 /nfs/dbraw/zinc/94/07/10/947940710.db2.gz OXYUDAZRBOBASD-UONOGXRCSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573392013 947940702 /nfs/dbraw/zinc/94/07/02/947940702.db2.gz OXYUDAZRBOBASD-UONOGXRCSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573392014 947939454 /nfs/dbraw/zinc/93/94/54/947939454.db2.gz OXYUDAZRBOBASD-ZIAGYGMSSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573392014 947939449 /nfs/dbraw/zinc/93/94/49/947939449.db2.gz OXYUDAZRBOBASD-ZIAGYGMSSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573392100 947941657 /nfs/dbraw/zinc/94/16/57/947941657.db2.gz RYDMPQWHQMTIDE-GFCCVEGCSA-N -1 1 389.420 -0.917 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573392100 947941651 /nfs/dbraw/zinc/94/16/51/947941651.db2.gz RYDMPQWHQMTIDE-GFCCVEGCSA-N -1 1 389.420 -0.917 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573392101 947943026 /nfs/dbraw/zinc/94/30/26/947943026.db2.gz RYDMPQWHQMTIDE-LBPRGKRZSA-N -1 1 389.420 -0.917 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573392101 947943020 /nfs/dbraw/zinc/94/30/20/947943020.db2.gz RYDMPQWHQMTIDE-LBPRGKRZSA-N -1 1 389.420 -0.917 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573392123 947942859 /nfs/dbraw/zinc/94/28/59/947942859.db2.gz SWMYCHQMMIKLEE-GFCCVEGCSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573392123 947942852 /nfs/dbraw/zinc/94/28/52/947942852.db2.gz SWMYCHQMMIKLEE-GFCCVEGCSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573392124 947942214 /nfs/dbraw/zinc/94/22/14/947942214.db2.gz SWMYCHQMMIKLEE-LBPRGKRZSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573392124 947942209 /nfs/dbraw/zinc/94/22/09/947942209.db2.gz SWMYCHQMMIKLEE-LBPRGKRZSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573392131 947941862 /nfs/dbraw/zinc/94/18/62/947941862.db2.gz TVBKNWGZCGBUKK-ZDUSSCGKSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573392131 947941856 /nfs/dbraw/zinc/94/18/56/947941856.db2.gz TVBKNWGZCGBUKK-ZDUSSCGKSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573392209 947944978 /nfs/dbraw/zinc/94/49/78/947944978.db2.gz WWPJXFRQLMIVJN-CHWSQXEVSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573392209 947944972 /nfs/dbraw/zinc/94/49/72/947944972.db2.gz WWPJXFRQLMIVJN-CHWSQXEVSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573392210 947943715 /nfs/dbraw/zinc/94/37/15/947943715.db2.gz WWPJXFRQLMIVJN-OLZOCXBDSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573392210 947943710 /nfs/dbraw/zinc/94/37/10/947943710.db2.gz WWPJXFRQLMIVJN-OLZOCXBDSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573392211 947944558 /nfs/dbraw/zinc/94/45/58/947944558.db2.gz WWPJXFRQLMIVJN-QWHCGFSZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573392211 947944547 /nfs/dbraw/zinc/94/45/47/947944547.db2.gz WWPJXFRQLMIVJN-QWHCGFSZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573392212 947945098 /nfs/dbraw/zinc/94/50/98/947945098.db2.gz WWPJXFRQLMIVJN-STQMWFEESA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573392212 947945092 /nfs/dbraw/zinc/94/50/92/947945092.db2.gz WWPJXFRQLMIVJN-STQMWFEESA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573392214 947944352 /nfs/dbraw/zinc/94/43/52/947944352.db2.gz WZISCCLCOCDGAA-GFCCVEGCSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573392214 947944346 /nfs/dbraw/zinc/94/43/46/947944346.db2.gz WZISCCLCOCDGAA-GFCCVEGCSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573392215 947945287 /nfs/dbraw/zinc/94/52/87/947945287.db2.gz WZISCCLCOCDGAA-LBPRGKRZSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573392215 947945284 /nfs/dbraw/zinc/94/52/84/947945284.db2.gz WZISCCLCOCDGAA-LBPRGKRZSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573392227 947944948 /nfs/dbraw/zinc/94/49/48/947944948.db2.gz XUAYBUFSOONFOE-GXTWGEPZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573392227 947944943 /nfs/dbraw/zinc/94/49/43/947944943.db2.gz XUAYBUFSOONFOE-GXTWGEPZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573392228 947943626 /nfs/dbraw/zinc/94/36/26/947943626.db2.gz XYKHHXSGWUPMQJ-CYBMUJFWSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573392228 947943618 /nfs/dbraw/zinc/94/36/18/947943618.db2.gz XYKHHXSGWUPMQJ-CYBMUJFWSA-N -1 1 387.448 -0.048 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392236 947943735 /nfs/dbraw/zinc/94/37/35/947943735.db2.gz YFISJWODBVGWNO-GWCFXTLKSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392236 947943729 /nfs/dbraw/zinc/94/37/29/947943729.db2.gz YFISJWODBVGWNO-GWCFXTLKSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392237 947944292 /nfs/dbraw/zinc/94/42/92/947944292.db2.gz YFISJWODBVGWNO-GXFFZTMASA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392237 947944284 /nfs/dbraw/zinc/94/42/84/947944284.db2.gz YFISJWODBVGWNO-GXFFZTMASA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392238 947945051 /nfs/dbraw/zinc/94/50/51/947945051.db2.gz YFISJWODBVGWNO-MFKMUULPSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392238 947945045 /nfs/dbraw/zinc/94/50/45/947945045.db2.gz YFISJWODBVGWNO-MFKMUULPSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392239 947943969 /nfs/dbraw/zinc/94/39/69/947943969.db2.gz YFISJWODBVGWNO-ZWNOBZJWSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392239 947943963 /nfs/dbraw/zinc/94/39/63/947943963.db2.gz YFISJWODBVGWNO-ZWNOBZJWSA-N -1 1 389.420 -0.837 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573392243 947945299 /nfs/dbraw/zinc/94/52/99/947945299.db2.gz YHQNZUNOUGUEFC-GFCCVEGCSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573392243 947945296 /nfs/dbraw/zinc/94/52/96/947945296.db2.gz YHQNZUNOUGUEFC-GFCCVEGCSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573392244 947944008 /nfs/dbraw/zinc/94/40/08/947944008.db2.gz YHQNZUNOUGUEFC-LBPRGKRZSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573392244 947944002 /nfs/dbraw/zinc/94/40/02/947944002.db2.gz YHQNZUNOUGUEFC-LBPRGKRZSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573392251 947945267 /nfs/dbraw/zinc/94/52/67/947945267.db2.gz YOBNFDCZTYDOOQ-KBPBESRZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573392251 947945259 /nfs/dbraw/zinc/94/52/59/947945259.db2.gz YOBNFDCZTYDOOQ-KBPBESRZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573392252 947944848 /nfs/dbraw/zinc/94/48/48/947944848.db2.gz YOBNFDCZTYDOOQ-KGLIPLIRSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573392252 947944841 /nfs/dbraw/zinc/94/48/41/947944841.db2.gz YOBNFDCZTYDOOQ-KGLIPLIRSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573392253 947946774 /nfs/dbraw/zinc/94/67/74/947946774.db2.gz YOBNFDCZTYDOOQ-UONOGXRCSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573392253 947946769 /nfs/dbraw/zinc/94/67/69/947946769.db2.gz YOBNFDCZTYDOOQ-UONOGXRCSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573392254 947945761 /nfs/dbraw/zinc/94/57/61/947945761.db2.gz YOBNFDCZTYDOOQ-ZIAGYGMSSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573392254 947945753 /nfs/dbraw/zinc/94/57/53/947945753.db2.gz YOBNFDCZTYDOOQ-ZIAGYGMSSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573392289 947945725 /nfs/dbraw/zinc/94/57/25/947945725.db2.gz ZACKGNUZMLSQMU-YPMHNXCESA-N -1 1 387.448 -0.404 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392296 947946137 /nfs/dbraw/zinc/94/61/37/947946137.db2.gz ZEXFHSVFNLSGGT-GFCCVEGCSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392296 947946129 /nfs/dbraw/zinc/94/61/29/947946129.db2.gz ZEXFHSVFNLSGGT-GFCCVEGCSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392297 947946011 /nfs/dbraw/zinc/94/60/11/947946011.db2.gz ZEXFHSVFNLSGGT-LBPRGKRZSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392297 947946005 /nfs/dbraw/zinc/94/60/05/947946005.db2.gz ZEXFHSVFNLSGGT-LBPRGKRZSA-N -1 1 389.420 -0.836 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573392321 947945977 /nfs/dbraw/zinc/94/59/77/947945977.db2.gz ZVWQXFNFERGYOR-KBPBESRZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573392321 947945970 /nfs/dbraw/zinc/94/59/70/947945970.db2.gz ZVWQXFNFERGYOR-KBPBESRZSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573392323 947946674 /nfs/dbraw/zinc/94/66/74/947946674.db2.gz ZVWQXFNFERGYOR-KGLIPLIRSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573392323 947946669 /nfs/dbraw/zinc/94/66/69/947946669.db2.gz ZVWQXFNFERGYOR-KGLIPLIRSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573392328 947946579 /nfs/dbraw/zinc/94/65/79/947946579.db2.gz ZVWQXFNFERGYOR-UONOGXRCSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573392328 947946574 /nfs/dbraw/zinc/94/65/74/947946574.db2.gz ZVWQXFNFERGYOR-UONOGXRCSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573392329 947946293 /nfs/dbraw/zinc/94/62/93/947946293.db2.gz ZVWQXFNFERGYOR-ZIAGYGMSSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573392329 947946285 /nfs/dbraw/zinc/94/62/85/947946285.db2.gz ZVWQXFNFERGYOR-ZIAGYGMSSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573392331 947947115 /nfs/dbraw/zinc/94/71/15/947947115.db2.gz ZXEQYMAQXRZCTP-GXTWGEPZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573392331 947947111 /nfs/dbraw/zinc/94/71/11/947947111.db2.gz ZXEQYMAQXRZCTP-GXTWGEPZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573392414 947946639 /nfs/dbraw/zinc/94/66/39/947946639.db2.gz ASXADYKGYFUAJK-BETUJISGSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573392414 947946634 /nfs/dbraw/zinc/94/66/34/947946634.db2.gz ASXADYKGYFUAJK-BETUJISGSA-N -1 1 385.432 -0.295 20 0 GBADMM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392497 947948333 /nfs/dbraw/zinc/94/83/33/947948333.db2.gz BWGDUQQGKHQQOZ-GXTWGEPZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392497 947948326 /nfs/dbraw/zinc/94/83/26/947948326.db2.gz BWGDUQQGKHQQOZ-GXTWGEPZSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392498 947948317 /nfs/dbraw/zinc/94/83/17/947948317.db2.gz BWGDUQQGKHQQOZ-JSGCOSHPSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392498 947948312 /nfs/dbraw/zinc/94/83/12/947948312.db2.gz BWGDUQQGKHQQOZ-JSGCOSHPSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392499 947949171 /nfs/dbraw/zinc/94/91/71/947949171.db2.gz BWGDUQQGKHQQOZ-OCCSQVGLSA-N -1 1 385.432 -0.438 20 0 GBADMM 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/nfs/dbraw/zinc/99/00/41/947990041.db2.gz UXEMTHALDTVQGG-CXAGYDPISA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573399294 947990208 /nfs/dbraw/zinc/99/02/08/947990208.db2.gz UXEMTHALDTVQGG-DYVFJYSZSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573399294 947990200 /nfs/dbraw/zinc/99/02/00/947990200.db2.gz UXEMTHALDTVQGG-DYVFJYSZSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573399295 947990690 /nfs/dbraw/zinc/99/06/90/947990690.db2.gz UXEMTHALDTVQGG-GUYCJALGSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573399295 947990683 /nfs/dbraw/zinc/99/06/83/947990683.db2.gz UXEMTHALDTVQGG-GUYCJALGSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573399296 947990610 /nfs/dbraw/zinc/99/06/10/947990610.db2.gz UXEMTHALDTVQGG-SUMWQHHRSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573399296 947990605 /nfs/dbraw/zinc/99/06/05/947990605.db2.gz UXEMTHALDTVQGG-SUMWQHHRSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001573399496 947991589 /nfs/dbraw/zinc/99/15/89/947991589.db2.gz VQMREFYSGMZCHI-AVGNSLFASA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001573399496 947991582 /nfs/dbraw/zinc/99/15/82/947991582.db2.gz VQMREFYSGMZCHI-AVGNSLFASA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001573399497 947992331 /nfs/dbraw/zinc/99/23/31/947992331.db2.gz VQMREFYSGMZCHI-XQQFMLRXSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001573399497 947992322 /nfs/dbraw/zinc/99/23/22/947992322.db2.gz VQMREFYSGMZCHI-XQQFMLRXSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573399505 947991686 /nfs/dbraw/zinc/99/16/86/947991686.db2.gz VVXAAAGOPVZVLN-CXAGYDPISA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573399505 947991684 /nfs/dbraw/zinc/99/16/84/947991684.db2.gz VVXAAAGOPVZVLN-CXAGYDPISA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573399506 947992603 /nfs/dbraw/zinc/99/26/03/947992603.db2.gz VVXAAAGOPVZVLN-DYVFJYSZSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573399506 947992594 /nfs/dbraw/zinc/99/25/94/947992594.db2.gz VVXAAAGOPVZVLN-DYVFJYSZSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573399507 947991739 /nfs/dbraw/zinc/99/17/39/947991739.db2.gz VVXAAAGOPVZVLN-GUYCJALGSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573399507 947991734 /nfs/dbraw/zinc/99/17/34/947991734.db2.gz VVXAAAGOPVZVLN-GUYCJALGSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573399508 947992448 /nfs/dbraw/zinc/99/24/48/947992448.db2.gz VVXAAAGOPVZVLN-SUMWQHHRSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573399508 947992442 /nfs/dbraw/zinc/99/24/42/947992442.db2.gz VVXAAAGOPVZVLN-SUMWQHHRSA-N -1 1 385.432 -0.247 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573399524 947992189 /nfs/dbraw/zinc/99/21/89/947992189.db2.gz WAHOVHTYBNWHGZ-BETUJISGSA-N -1 1 385.432 -0.662 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573399524 947992183 /nfs/dbraw/zinc/99/21/83/947992183.db2.gz WAHOVHTYBNWHGZ-BETUJISGSA-N -1 1 385.432 -0.662 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573399607 947993932 /nfs/dbraw/zinc/99/39/32/947993932.db2.gz XKLZUFPTHSWGLF-OLZOCXBDSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573399607 947993928 /nfs/dbraw/zinc/99/39/28/947993928.db2.gz XKLZUFPTHSWGLF-OLZOCXBDSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573399623 947993986 /nfs/dbraw/zinc/99/39/86/947993986.db2.gz XUYBPTPJRKWRHL-YVEFUNNKSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573399623 947993980 /nfs/dbraw/zinc/99/39/80/947993980.db2.gz XUYBPTPJRKWRHL-YVEFUNNKSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573399806 947993722 /nfs/dbraw/zinc/99/37/22/947993722.db2.gz YSJXYNFQMDQPBH-PXAZEXFGSA-N -1 1 385.432 -0.580 20 0 GBADMM 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1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573401424 947998366 /nfs/dbraw/zinc/99/83/66/947998366.db2.gz BXBWMHDAITVRQM-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573401424 947998359 /nfs/dbraw/zinc/99/83/59/947998359.db2.gz BXBWMHDAITVRQM-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573401812 947997545 /nfs/dbraw/zinc/99/75/45/947997545.db2.gz CYBMEHPWMXPYAJ-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573401812 947997536 /nfs/dbraw/zinc/99/75/36/947997536.db2.gz CYBMEHPWMXPYAJ-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573401813 947998220 /nfs/dbraw/zinc/99/82/20/947998220.db2.gz CYBMEHPWMXPYAJ-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573401813 947998214 /nfs/dbraw/zinc/99/82/14/947998214.db2.gz CYBMEHPWMXPYAJ-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573402297 948001625 /nfs/dbraw/zinc/00/16/25/948001625.db2.gz FRFXUUIWLHRVOT-KRWDZBQOSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573402298 948001682 /nfs/dbraw/zinc/00/16/82/948001682.db2.gz FRFXUUIWLHRVOT-QGZVFWFLSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573402786 948005478 /nfs/dbraw/zinc/00/54/78/948005478.db2.gz IJFKSYYAPYMNTH-SSDOTTSWSA-N -1 1 388.841 -0.656 20 0 GBADMM CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573402787 948004056 /nfs/dbraw/zinc/00/40/56/948004056.db2.gz IJFKSYYAPYMNTH-ZETCQYMHSA-N -1 1 388.841 -0.656 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573402835 948006993 /nfs/dbraw/zinc/00/69/93/948006993.db2.gz JKKZRTWGLGQPCS-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573402838 948007098 /nfs/dbraw/zinc/00/70/98/948007098.db2.gz JKKZRTWGLGQPCS-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573403020 948006918 /nfs/dbraw/zinc/00/69/18/948006918.db2.gz KHQZPXGYCGARHF-CYBMUJFWSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573403020 948006914 /nfs/dbraw/zinc/00/69/14/948006914.db2.gz KHQZPXGYCGARHF-CYBMUJFWSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573403021 948007477 /nfs/dbraw/zinc/00/74/77/948007477.db2.gz KHQZPXGYCGARHF-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573403021 948007466 /nfs/dbraw/zinc/00/74/66/948007466.db2.gz KHQZPXGYCGARHF-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573403419 948012032 /nfs/dbraw/zinc/01/20/32/948012032.db2.gz MKZGNVUCBHFMJV-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)N(C)CC(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573403419 948012024 /nfs/dbraw/zinc/01/20/24/948012024.db2.gz MKZGNVUCBHFMJV-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573403691 948010696 /nfs/dbraw/zinc/01/06/96/948010696.db2.gz NKVKCGKURKGTDW-KRWDZBQOSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573403691 948010686 /nfs/dbraw/zinc/01/06/86/948010686.db2.gz NKVKCGKURKGTDW-KRWDZBQOSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573403692 948012124 /nfs/dbraw/zinc/01/21/24/948012124.db2.gz NKVKCGKURKGTDW-QGZVFWFLSA-N -1 1 387.448 -0.142 20 0 GBADMM 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CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573405784 948049993 /nfs/dbraw/zinc/04/99/93/948049993.db2.gz XCHPVRGHBVRVGX-UHFFFAOYSA-N -1 1 389.420 -0.788 20 0 GBADMM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573405784 948049984 /nfs/dbraw/zinc/04/99/84/948049984.db2.gz XCHPVRGHBVRVGX-UHFFFAOYSA-N -1 1 389.420 -0.788 20 0 GBADMM CC(=O)N(C)CC(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573405954 948049042 /nfs/dbraw/zinc/04/90/42/948049042.db2.gz ZCMITDVQAORZBY-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)N(C)CC(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573405954 948049036 /nfs/dbraw/zinc/04/90/36/948049036.db2.gz ZCMITDVQAORZBY-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573406395 948051067 /nfs/dbraw/zinc/05/10/67/948051067.db2.gz DUGVCDMUNYAQNR-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573406396 948051109 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ZINC001573406816 948058680 /nfs/dbraw/zinc/05/86/80/948058680.db2.gz VODSULCLPBSHLM-DGCLKSJQSA-N -1 1 387.448 -0.286 20 0 GBADMM CC(=O)N(C)CC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001573406816 948058671 /nfs/dbraw/zinc/05/86/71/948058671.db2.gz VODSULCLPBSHLM-DGCLKSJQSA-N -1 1 387.448 -0.286 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573406927 948060822 /nfs/dbraw/zinc/06/08/22/948060822.db2.gz WVRMWIOYVAPRJY-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573406927 948060809 /nfs/dbraw/zinc/06/08/09/948060809.db2.gz WVRMWIOYVAPRJY-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573406928 948060605 /nfs/dbraw/zinc/06/06/05/948060605.db2.gz WVRMWIOYVAPRJY-NSHDSACASA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N(C)CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573406928 948060595 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20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)C1 ZINC001573413260 948079034 /nfs/dbraw/zinc/07/90/34/948079034.db2.gz AJCIGNRVNGNFMA-GXFFZTMASA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)C1 ZINC001573413260 948079023 /nfs/dbraw/zinc/07/90/23/948079023.db2.gz AJCIGNRVNGNFMA-GXFFZTMASA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H](C)C2)C1 ZINC001573413262 948079626 /nfs/dbraw/zinc/07/96/26/948079626.db2.gz AJCIGNRVNGNFMA-MFKMUULPSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H](C)C2)C1 ZINC001573413262 948079623 /nfs/dbraw/zinc/07/96/23/948079623.db2.gz AJCIGNRVNGNFMA-MFKMUULPSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H](C)C2)C1 ZINC001573413264 948079695 /nfs/dbraw/zinc/07/96/95/948079695.db2.gz AJCIGNRVNGNFMA-ZWNOBZJWSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H](C)C2)C1 ZINC001573413264 948079686 /nfs/dbraw/zinc/07/96/86/948079686.db2.gz AJCIGNRVNGNFMA-ZWNOBZJWSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001573413288 948078626 /nfs/dbraw/zinc/07/86/26/948078626.db2.gz ATPSHXIFECYGBD-UHFFFAOYSA-N -1 1 376.446 -0.241 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573413294 948079512 /nfs/dbraw/zinc/07/95/12/948079512.db2.gz AXVLGHLENQAULX-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573413294 948079505 /nfs/dbraw/zinc/07/95/05/948079505.db2.gz AXVLGHLENQAULX-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573413305 948079130 /nfs/dbraw/zinc/07/91/30/948079130.db2.gz BGINEVBUJIPLPY-KRWDZBQOSA-N -1 1 385.432 -0.793 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573413307 948079709 /nfs/dbraw/zinc/07/97/09/948079709.db2.gz BGINEVBUJIPLPY-QGZVFWFLSA-N -1 1 385.432 -0.793 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)C1 ZINC001573413326 948078750 /nfs/dbraw/zinc/07/87/50/948078750.db2.gz BQIKHTKTRRTFDF-SMDDNHRTSA-N -1 1 383.416 -0.828 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001573413326 948078744 /nfs/dbraw/zinc/07/87/44/948078744.db2.gz BQIKHTKTRRTFDF-SMDDNHRTSA-N -1 1 383.416 -0.828 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573413401 948080878 /nfs/dbraw/zinc/08/08/78/948080878.db2.gz DDIKAPWFNVZLIR-CMPLNLGQSA-N -1 1 385.432 -0.937 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573413402 948081152 /nfs/dbraw/zinc/08/11/52/948081152.db2.gz DDIKAPWFNVZLIR-JQWIXIFHSA-N -1 1 385.432 -0.937 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573413403 948081703 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GBADMM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573414278 948092037 /nfs/dbraw/zinc/09/20/37/948092037.db2.gz JOQKEGMWKPSRHO-UHFFFAOYSA-N -1 1 387.448 -0.547 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001573414388 948093256 /nfs/dbraw/zinc/09/32/56/948093256.db2.gz LHROHNOWMRVTCG-ZDUSSCGKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001573414388 948093249 /nfs/dbraw/zinc/09/32/49/948093249.db2.gz LHROHNOWMRVTCG-ZDUSSCGKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(N(C)c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573414391 948092860 /nfs/dbraw/zinc/09/28/60/948092860.db2.gz LILIRQIQTMBDHA-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(N(C)c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573414391 948092856 /nfs/dbraw/zinc/09/28/56/948092856.db2.gz LILIRQIQTMBDHA-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N(CCN(C)c2ccc(-c3nn[n-]n3)nn2)C(C)C)C1 ZINC001573414397 948091933 /nfs/dbraw/zinc/09/19/33/948091933.db2.gz LPGZIDNRWZRBDG-UHFFFAOYSA-N -1 1 387.448 -0.192 20 0 GBADMM CC(=O)N1CC(C(=O)N(CCN(C)c2ccc(-c3nnn[n-]3)nn2)C(C)C)C1 ZINC001573414397 948091922 /nfs/dbraw/zinc/09/19/22/948091922.db2.gz LPGZIDNRWZRBDG-UHFFFAOYSA-N -1 1 387.448 -0.192 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)C1 ZINC001573414420 948093339 /nfs/dbraw/zinc/09/33/39/948093339.db2.gz LYCACCWDXKINIQ-CYBMUJFWSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001573414420 948093330 /nfs/dbraw/zinc/09/33/30/948093330.db2.gz LYCACCWDXKINIQ-CYBMUJFWSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)C1 ZINC001573414421 948092319 /nfs/dbraw/zinc/09/23/19/948092319.db2.gz LYCACCWDXKINIQ-ZDUSSCGKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001573414421 948092311 /nfs/dbraw/zinc/09/23/11/948092311.db2.gz LYCACCWDXKINIQ-ZDUSSCGKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573414422 948092810 /nfs/dbraw/zinc/09/28/10/948092810.db2.gz MAMWJUUUMHEGJM-BETUJISGSA-N -1 1 383.416 -0.685 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573414422 948092800 /nfs/dbraw/zinc/09/28/00/948092800.db2.gz MAMWJUUUMHEGJM-BETUJISGSA-N -1 1 383.416 -0.685 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573414423 948091995 /nfs/dbraw/zinc/09/19/95/948091995.db2.gz MBYKJEYGKAXLMY-CYBMUJFWSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573414423 948091985 /nfs/dbraw/zinc/09/19/85/948091985.db2.gz MBYKJEYGKAXLMY-CYBMUJFWSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573414425 948093596 /nfs/dbraw/zinc/09/35/96/948093596.db2.gz MBYKJEYGKAXLMY-ZDUSSCGKSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573414425 948093589 /nfs/dbraw/zinc/09/35/89/948093589.db2.gz MBYKJEYGKAXLMY-ZDUSSCGKSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573414437 948093812 /nfs/dbraw/zinc/09/38/12/948093812.db2.gz MFJBWNIXSFELIF-UHFFFAOYSA-N -1 1 385.432 -0.518 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573414437 948093806 /nfs/dbraw/zinc/09/38/06/948093806.db2.gz MFJBWNIXSFELIF-UHFFFAOYSA-N -1 1 385.432 -0.518 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573414439 948093497 /nfs/dbraw/zinc/09/34/97/948093497.db2.gz MFKYKTNHRIOEAX-UHFFFAOYSA-N -1 1 385.432 -0.793 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573414457 948093895 /nfs/dbraw/zinc/09/38/95/948093895.db2.gz MOTXJXTZTGWXOO-KRWDZBQOSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573414457 948093890 /nfs/dbraw/zinc/09/38/90/948093890.db2.gz MOTXJXTZTGWXOO-KRWDZBQOSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573414459 948093079 /nfs/dbraw/zinc/09/30/79/948093079.db2.gz MOTXJXTZTGWXOO-QGZVFWFLSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573414459 948093067 /nfs/dbraw/zinc/09/30/67/948093067.db2.gz MOTXJXTZTGWXOO-QGZVFWFLSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573414470 948094808 /nfs/dbraw/zinc/09/48/08/948094808.db2.gz MSVKBXVDYONVPT-CYBMUJFWSA-N -1 1 385.432 -0.650 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573414471 948095498 /nfs/dbraw/zinc/09/54/98/948095498.db2.gz MSVKBXVDYONVPT-ZDUSSCGKSA-N -1 1 385.432 -0.650 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573414482 948094753 /nfs/dbraw/zinc/09/47/53/948094753.db2.gz MXDNBDUMXBXEDD-BETUJISGSA-N -1 1 383.416 -0.685 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573414482 948094748 /nfs/dbraw/zinc/09/47/48/948094748.db2.gz MXDNBDUMXBXEDD-BETUJISGSA-N -1 1 383.416 -0.685 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)C1 ZINC001573414521 948095207 /nfs/dbraw/zinc/09/52/07/948095207.db2.gz NWRWFBBBIZDYNB-GWCFXTLKSA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)C1 ZINC001573414521 948095200 /nfs/dbraw/zinc/09/52/00/948095200.db2.gz NWRWFBBBIZDYNB-GWCFXTLKSA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)C1 ZINC001573414523 948095897 /nfs/dbraw/zinc/09/58/97/948095897.db2.gz NWRWFBBBIZDYNB-GXFFZTMASA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)C1 ZINC001573414523 948095888 /nfs/dbraw/zinc/09/58/88/948095888.db2.gz NWRWFBBBIZDYNB-GXFFZTMASA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)C1 ZINC001573414525 948096238 /nfs/dbraw/zinc/09/62/38/948096238.db2.gz NWRWFBBBIZDYNB-MFKMUULPSA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)C1 ZINC001573414525 948096228 /nfs/dbraw/zinc/09/62/28/948096228.db2.gz NWRWFBBBIZDYNB-MFKMUULPSA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)C1 ZINC001573414528 948096119 /nfs/dbraw/zinc/09/61/19/948096119.db2.gz NWRWFBBBIZDYNB-ZWNOBZJWSA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)C1 ZINC001573414528 948096112 /nfs/dbraw/zinc/09/61/12/948096112.db2.gz NWRWFBBBIZDYNB-ZWNOBZJWSA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573414658 948097347 /nfs/dbraw/zinc/09/73/47/948097347.db2.gz MCSPNZYJTUDNTI-UHFFFAOYSA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573414658 948097337 /nfs/dbraw/zinc/09/73/37/948097337.db2.gz MCSPNZYJTUDNTI-UHFFFAOYSA-N -1 1 385.432 -0.155 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)C1 ZINC001573414720 948096692 /nfs/dbraw/zinc/09/66/92/948096692.db2.gz OJJNCBHWSPDNKG-GWCFXTLKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)C1 ZINC001573414720 948096684 /nfs/dbraw/zinc/09/66/84/948096684.db2.gz OJJNCBHWSPDNKG-GWCFXTLKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)C1 ZINC001573414721 948097473 /nfs/dbraw/zinc/09/74/73/948097473.db2.gz OJJNCBHWSPDNKG-GXFFZTMASA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)C1 ZINC001573414721 948097466 /nfs/dbraw/zinc/09/74/66/948097466.db2.gz OJJNCBHWSPDNKG-GXFFZTMASA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)C1 ZINC001573414722 948096908 /nfs/dbraw/zinc/09/69/08/948096908.db2.gz OJJNCBHWSPDNKG-MFKMUULPSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)C1 ZINC001573414722 948096903 /nfs/dbraw/zinc/09/69/03/948096903.db2.gz OJJNCBHWSPDNKG-MFKMUULPSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)C1 ZINC001573414723 948099160 /nfs/dbraw/zinc/09/91/60/948099160.db2.gz OJJNCBHWSPDNKG-ZWNOBZJWSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)C1 ZINC001573414723 948099152 /nfs/dbraw/zinc/09/91/52/948099152.db2.gz OJJNCBHWSPDNKG-ZWNOBZJWSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001573414768 948098859 /nfs/dbraw/zinc/09/88/59/948098859.db2.gz OUHNGOBROYQXNH-SMDDNHRTSA-N -1 1 383.416 -0.828 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001573414768 948098850 /nfs/dbraw/zinc/09/88/50/948098850.db2.gz OUHNGOBROYQXNH-SMDDNHRTSA-N -1 1 383.416 -0.828 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573414790 948100293 /nfs/dbraw/zinc/10/02/93/948100293.db2.gz OZADOLKNYWRYQW-GFCCVEGCSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573414790 948100284 /nfs/dbraw/zinc/10/02/84/948100284.db2.gz OZADOLKNYWRYQW-GFCCVEGCSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573414792 948100319 /nfs/dbraw/zinc/10/03/19/948100319.db2.gz OZADOLKNYWRYQW-LBPRGKRZSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573414792 948100311 /nfs/dbraw/zinc/10/03/11/948100311.db2.gz OZADOLKNYWRYQW-LBPRGKRZSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573414806 948098616 /nfs/dbraw/zinc/09/86/16/948098616.db2.gz POWDDTZZDSDWLN-UHFFFAOYSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573414806 948098608 /nfs/dbraw/zinc/09/86/08/948098608.db2.gz POWDDTZZDSDWLN-UHFFFAOYSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001573414835 948099564 /nfs/dbraw/zinc/09/95/64/948099564.db2.gz QLFXQIPJJKPDIW-UHFFFAOYSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001573414835 948099560 /nfs/dbraw/zinc/09/95/60/948099560.db2.gz QLFXQIPJJKPDIW-UHFFFAOYSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573414853 948098872 /nfs/dbraw/zinc/09/88/72/948098872.db2.gz QZWSKIGCEGCVTM-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573414866 948100077 /nfs/dbraw/zinc/10/00/77/948100077.db2.gz RFPXPONLUDBSSZ-CYBMUJFWSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573414866 948100068 /nfs/dbraw/zinc/10/00/68/948100068.db2.gz RFPXPONLUDBSSZ-CYBMUJFWSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573414867 948100471 /nfs/dbraw/zinc/10/04/71/948100471.db2.gz RFPXPONLUDBSSZ-ZDUSSCGKSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573414867 948100463 /nfs/dbraw/zinc/10/04/63/948100463.db2.gz RFPXPONLUDBSSZ-ZDUSSCGKSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573415091 948101871 /nfs/dbraw/zinc/10/18/71/948101871.db2.gz RXECFFDAXUAOQP-GFCCVEGCSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573415091 948101864 /nfs/dbraw/zinc/10/18/64/948101864.db2.gz RXECFFDAXUAOQP-GFCCVEGCSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573415093 948102122 /nfs/dbraw/zinc/10/21/22/948102122.db2.gz RXECFFDAXUAOQP-LBPRGKRZSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573415093 948102115 /nfs/dbraw/zinc/10/21/15/948102115.db2.gz RXECFFDAXUAOQP-LBPRGKRZSA-N -1 1 385.432 -0.215 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573415122 948101272 /nfs/dbraw/zinc/10/12/72/948101272.db2.gz SXNLNICSYKMBEG-CYBMUJFWSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573415122 948101270 /nfs/dbraw/zinc/10/12/70/948101270.db2.gz SXNLNICSYKMBEG-CYBMUJFWSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573415123 948102232 /nfs/dbraw/zinc/10/22/32/948102232.db2.gz SXNLNICSYKMBEG-ZDUSSCGKSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573415123 948102219 /nfs/dbraw/zinc/10/22/19/948102219.db2.gz SXNLNICSYKMBEG-ZDUSSCGKSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001573415132 948101888 /nfs/dbraw/zinc/10/18/88/948101888.db2.gz UBGUNNCRXFGVCU-WCQYABFASA-N -1 1 383.416 -0.828 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573415137 948101125 /nfs/dbraw/zinc/10/11/25/948101125.db2.gz UFHMOAJIUGZLTH-GFCCVEGCSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573415138 948101218 /nfs/dbraw/zinc/10/12/18/948101218.db2.gz UFHMOAJIUGZLTH-LBPRGKRZSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(Nc3nc(C)cc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573415149 948101554 /nfs/dbraw/zinc/10/15/54/948101554.db2.gz ULIOJYOSUHDHRZ-UHFFFAOYSA-N -1 1 385.432 -0.154 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(Nc3nc(C)cc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573415149 948101546 /nfs/dbraw/zinc/10/15/46/948101546.db2.gz 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ZHFIYZJQKBNUDK-CYBMUJFWSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573415397 948107716 /nfs/dbraw/zinc/10/77/16/948107716.db2.gz ZIDBKTVZANDDFM-GFCCVEGCSA-N -1 1 385.432 -0.296 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573415397 948107712 /nfs/dbraw/zinc/10/77/12/948107712.db2.gz ZIDBKTVZANDDFM-GFCCVEGCSA-N -1 1 385.432 -0.296 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573415398 948107674 /nfs/dbraw/zinc/10/76/74/948107674.db2.gz ZIDBKTVZANDDFM-LBPRGKRZSA-N -1 1 385.432 -0.296 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573415398 948107670 /nfs/dbraw/zinc/10/76/70/948107670.db2.gz ZIDBKTVZANDDFM-LBPRGKRZSA-N -1 1 385.432 -0.296 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001573415411 948109604 /nfs/dbraw/zinc/10/96/04/948109604.db2.gz ZUMKGXKRTNSGMJ-UHFFFAOYSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001573415411 948109598 /nfs/dbraw/zinc/10/95/98/948109598.db2.gz ZUMKGXKRTNSGMJ-UHFFFAOYSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573415412 948108513 /nfs/dbraw/zinc/10/85/13/948108513.db2.gz ZVDGHQGTTATQII-GFCCVEGCSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573415412 948108507 /nfs/dbraw/zinc/10/85/07/948108507.db2.gz ZVDGHQGTTATQII-GFCCVEGCSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573415413 948109075 /nfs/dbraw/zinc/10/90/75/948109075.db2.gz ZVDGHQGTTATQII-LBPRGKRZSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573415413 948109066 /nfs/dbraw/zinc/10/90/66/948109066.db2.gz ZVDGHQGTTATQII-LBPRGKRZSA-N -1 1 385.432 -0.580 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573415446 948109098 /nfs/dbraw/zinc/10/90/98/948109098.db2.gz SOMZTEUTKLNPRC-CYBMUJFWSA-N -1 1 385.432 -0.794 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573415447 948108584 /nfs/dbraw/zinc/10/85/84/948108584.db2.gz SOMZTEUTKLNPRC-ZDUSSCGKSA-N -1 1 385.432 -0.794 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001573415471 948109513 /nfs/dbraw/zinc/10/95/13/948109513.db2.gz UKZNYRLVKUEMLR-CYBMUJFWSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001573415471 948109510 /nfs/dbraw/zinc/10/95/10/948109510.db2.gz UKZNYRLVKUEMLR-CYBMUJFWSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001573415472 948108871 /nfs/dbraw/zinc/10/88/71/948108871.db2.gz UKZNYRLVKUEMLR-ZDUSSCGKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001573415472 948108866 /nfs/dbraw/zinc/10/88/66/948108866.db2.gz UKZNYRLVKUEMLR-ZDUSSCGKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573415557 948110225 /nfs/dbraw/zinc/11/02/25/948110225.db2.gz XNLYHGTUGQOWSN-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573415557 948110221 /nfs/dbraw/zinc/11/02/21/948110221.db2.gz XNLYHGTUGQOWSN-UHFFFAOYSA-N -1 1 385.432 -0.438 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573415657 948112002 /nfs/dbraw/zinc/11/20/02/948112002.db2.gz ZVQBKZXHDRMHJO-UHFFFAOYSA-N -1 1 387.448 -0.272 20 0 GBADMM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573415657 948112000 /nfs/dbraw/zinc/11/20/00/948112000.db2.gz ZVQBKZXHDRMHJO-UHFFFAOYSA-N -1 1 387.448 -0.272 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573417722 948112281 /nfs/dbraw/zinc/11/22/81/948112281.db2.gz AEUYGXNZNAMLPR-GWCFXTLKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573417722 948112277 /nfs/dbraw/zinc/11/22/77/948112277.db2.gz AEUYGXNZNAMLPR-GWCFXTLKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573417723 948112825 /nfs/dbraw/zinc/11/28/25/948112825.db2.gz AEUYGXNZNAMLPR-GXFFZTMASA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573417723 948112819 /nfs/dbraw/zinc/11/28/19/948112819.db2.gz AEUYGXNZNAMLPR-GXFFZTMASA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573417724 948112778 /nfs/dbraw/zinc/11/27/78/948112778.db2.gz AEUYGXNZNAMLPR-MFKMUULPSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573417724 948112776 /nfs/dbraw/zinc/11/27/76/948112776.db2.gz AEUYGXNZNAMLPR-MFKMUULPSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573417725 948112206 /nfs/dbraw/zinc/11/22/06/948112206.db2.gz AEUYGXNZNAMLPR-ZWNOBZJWSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573417725 948112203 /nfs/dbraw/zinc/11/22/03/948112203.db2.gz AEUYGXNZNAMLPR-ZWNOBZJWSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001573417726 948112153 /nfs/dbraw/zinc/11/21/53/948112153.db2.gz AEWKJMYWKMDLDE-TXEJJXNPSA-N -1 1 383.416 -0.970 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001573417726 948112149 /nfs/dbraw/zinc/11/21/49/948112149.db2.gz AEWKJMYWKMDLDE-TXEJJXNPSA-N -1 1 383.416 -0.970 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001573417727 948112509 /nfs/dbraw/zinc/11/25/09/948112509.db2.gz AFDAQCUGPVGHAY-KRWDZBQOSA-N -1 1 385.432 -0.168 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001573417727 948112503 /nfs/dbraw/zinc/11/25/03/948112503.db2.gz AFDAQCUGPVGHAY-KRWDZBQOSA-N -1 1 385.432 -0.168 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@](C)(CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001573417728 948112129 /nfs/dbraw/zinc/11/21/29/948112129.db2.gz AFDAQCUGPVGHAY-QGZVFWFLSA-N -1 1 385.432 -0.168 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001573417728 948112125 /nfs/dbraw/zinc/11/21/25/948112125.db2.gz AFDAQCUGPVGHAY-QGZVFWFLSA-N -1 1 385.432 -0.168 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573417795 948114321 /nfs/dbraw/zinc/11/43/21/948114321.db2.gz BUNNPJWIPFOFSQ-KRWDZBQOSA-N -1 1 385.432 -0.472 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573417795 948114320 /nfs/dbraw/zinc/11/43/20/948114320.db2.gz BUNNPJWIPFOFSQ-KRWDZBQOSA-N -1 1 385.432 -0.472 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573417798 948113894 /nfs/dbraw/zinc/11/38/94/948113894.db2.gz BUNNPJWIPFOFSQ-QGZVFWFLSA-N -1 1 385.432 -0.472 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573417798 948113889 /nfs/dbraw/zinc/11/38/89/948113889.db2.gz BUNNPJWIPFOFSQ-QGZVFWFLSA-N -1 1 385.432 -0.472 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)C1 ZINC001573417899 948114315 /nfs/dbraw/zinc/11/43/15/948114315.db2.gz CNPHXIFJWONUOF-ZYHUDNBSSA-N -1 1 385.432 -0.359 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)C1 ZINC001573417899 948114311 /nfs/dbraw/zinc/11/43/11/948114311.db2.gz CNPHXIFJWONUOF-ZYHUDNBSSA-N -1 1 385.432 -0.359 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573418150 948116182 /nfs/dbraw/zinc/11/61/82/948116182.db2.gz DMWOOPYMEBGFNO-KRWDZBQOSA-N -1 1 385.432 -0.168 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001573418150 948116176 /nfs/dbraw/zinc/11/61/76/948116176.db2.gz DMWOOPYMEBGFNO-KRWDZBQOSA-N -1 1 385.432 -0.168 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573418151 948115611 /nfs/dbraw/zinc/11/56/11/948115611.db2.gz DMWOOPYMEBGFNO-QGZVFWFLSA-N -1 1 385.432 -0.168 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001573418151 948115604 /nfs/dbraw/zinc/11/56/04/948115604.db2.gz DMWOOPYMEBGFNO-QGZVFWFLSA-N -1 1 385.432 -0.168 20 0 GBADMM CC(=O)N1CC(C(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573418178 948115351 /nfs/dbraw/zinc/11/53/51/948115351.db2.gz DXRMDHVFSZXHBY-UHFFFAOYSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC(C(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573418178 948115343 /nfs/dbraw/zinc/11/53/43/948115343.db2.gz DXRMDHVFSZXHBY-UHFFFAOYSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573418179 948115306 /nfs/dbraw/zinc/11/53/06/948115306.db2.gz DYAYUGQFCNOBCE-CYBMUJFWSA-N -1 1 385.432 -0.472 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573418179 948115301 /nfs/dbraw/zinc/11/53/01/948115301.db2.gz DYAYUGQFCNOBCE-CYBMUJFWSA-N -1 1 385.432 -0.472 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573418180 948115840 /nfs/dbraw/zinc/11/58/40/948115840.db2.gz DYAYUGQFCNOBCE-ZDUSSCGKSA-N -1 1 385.432 -0.472 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573418180 948115836 /nfs/dbraw/zinc/11/58/36/948115836.db2.gz DYAYUGQFCNOBCE-ZDUSSCGKSA-N -1 1 385.432 -0.472 20 0 GBADMM CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573418181 948116331 /nfs/dbraw/zinc/11/63/31/948116331.db2.gz FASGGEMOEIBMLK-RYUDHWBXSA-N -1 1 388.457 -0.101 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)C1 ZINC001573418196 948116201 /nfs/dbraw/zinc/11/62/01/948116201.db2.gz FFFMMQYNUCLZHC-GWCFXTLKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)C1 ZINC001573418196 948116195 /nfs/dbraw/zinc/11/61/95/948116195.db2.gz FFFMMQYNUCLZHC-GWCFXTLKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)C1 ZINC001573418199 948116555 /nfs/dbraw/zinc/11/65/55/948116555.db2.gz FFFMMQYNUCLZHC-GXFFZTMASA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)C1 ZINC001573418199 948116549 /nfs/dbraw/zinc/11/65/49/948116549.db2.gz FFFMMQYNUCLZHC-GXFFZTMASA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)C1 ZINC001573418201 948115189 /nfs/dbraw/zinc/11/51/89/948115189.db2.gz FFFMMQYNUCLZHC-MFKMUULPSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)C1 ZINC001573418201 948115182 /nfs/dbraw/zinc/11/51/82/948115182.db2.gz FFFMMQYNUCLZHC-MFKMUULPSA-N -1 1 385.432 -0.392 20 0 GBADMM 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CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573432909 948194896 /nfs/dbraw/zinc/19/48/96/948194896.db2.gz IMJLBOAMJYHUTN-PXAZEXFGSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573432910 948195754 /nfs/dbraw/zinc/19/57/54/948195754.db2.gz IMJLBOAMJYHUTN-SJCJKPOMSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573432910 948195746 /nfs/dbraw/zinc/19/57/46/948195746.db2.gz IMJLBOAMJYHUTN-SJCJKPOMSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573432911 948195868 /nfs/dbraw/zinc/19/58/68/948195868.db2.gz IMJLBOAMJYHUTN-SJKOYZFVSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573432911 948195863 /nfs/dbraw/zinc/19/58/63/948195863.db2.gz IMJLBOAMJYHUTN-SJKOYZFVSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573432912 948195718 /nfs/dbraw/zinc/19/57/18/948195718.db2.gz IMJLBOAMJYHUTN-YVEFUNNKSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573432912 948195713 /nfs/dbraw/zinc/19/57/13/948195713.db2.gz IMJLBOAMJYHUTN-YVEFUNNKSA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573432917 948196048 /nfs/dbraw/zinc/19/60/48/948196048.db2.gz IOSCUYVITCALAA-PXAZEXFGSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573432917 948196046 /nfs/dbraw/zinc/19/60/46/948196046.db2.gz IOSCUYVITCALAA-PXAZEXFGSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573432918 948195974 /nfs/dbraw/zinc/19/59/74/948195974.db2.gz IOSCUYVITCALAA-SJCJKPOMSA-N -1 1 385.432 -0.072 20 0 GBADMM 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CC(=O)N1CC[C@](C)(C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573433301 948198890 /nfs/dbraw/zinc/19/88/90/948198890.db2.gz KBKRGQYNYHXJNA-KRWDZBQOSA-N -1 1 387.448 -0.190 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573433307 948199170 /nfs/dbraw/zinc/19/91/70/948199170.db2.gz KBKRGQYNYHXJNA-QGZVFWFLSA-N -1 1 387.448 -0.190 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573433307 948199164 /nfs/dbraw/zinc/19/91/64/948199164.db2.gz KBKRGQYNYHXJNA-QGZVFWFLSA-N -1 1 387.448 -0.190 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433318 948199499 /nfs/dbraw/zinc/19/94/99/948199499.db2.gz KBQNYECFXTVUOA-BWACUDIHSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433318 948199492 /nfs/dbraw/zinc/19/94/92/948199492.db2.gz KBQNYECFXTVUOA-BWACUDIHSA-N -1 1 385.432 -0.026 20 0 GBADMM 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CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433337 948199556 /nfs/dbraw/zinc/19/95/56/948199556.db2.gz KBQNYECFXTVUOA-PSTGCABASA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573433585 948203860 /nfs/dbraw/zinc/20/38/60/948203860.db2.gz MQHKXRKOMCFFMF-KRWDZBQOSA-N -1 1 387.448 -0.224 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573433585 948203853 /nfs/dbraw/zinc/20/38/53/948203853.db2.gz MQHKXRKOMCFFMF-KRWDZBQOSA-N -1 1 387.448 -0.224 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573433588 948203829 /nfs/dbraw/zinc/20/38/29/948203829.db2.gz MQHKXRKOMCFFMF-QGZVFWFLSA-N -1 1 387.448 -0.224 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573433588 948203827 /nfs/dbraw/zinc/20/38/27/948203827.db2.gz MQHKXRKOMCFFMF-QGZVFWFLSA-N -1 1 387.448 -0.224 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573433638 948204633 /nfs/dbraw/zinc/20/46/33/948204633.db2.gz NFCJRNNSIAOXED-KRWDZBQOSA-N -1 1 387.448 -0.190 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573433642 948203045 /nfs/dbraw/zinc/20/30/45/948203045.db2.gz NFCJRNNSIAOXED-QGZVFWFLSA-N -1 1 387.448 -0.190 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573433775 948205456 /nfs/dbraw/zinc/20/54/56/948205456.db2.gz NRLZESJIVRRGAP-PXAZEXFGSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573433775 948205447 /nfs/dbraw/zinc/20/54/47/948205447.db2.gz NRLZESJIVRRGAP-PXAZEXFGSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573433779 948205835 /nfs/dbraw/zinc/20/58/35/948205835.db2.gz NRLZESJIVRRGAP-SJCJKPOMSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573433779 948205826 /nfs/dbraw/zinc/20/58/26/948205826.db2.gz NRLZESJIVRRGAP-SJCJKPOMSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573433782 948206696 /nfs/dbraw/zinc/20/66/96/948206696.db2.gz NRLZESJIVRRGAP-SJKOYZFVSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573433782 948206691 /nfs/dbraw/zinc/20/66/91/948206691.db2.gz NRLZESJIVRRGAP-SJKOYZFVSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573433786 948205620 /nfs/dbraw/zinc/20/56/20/948205620.db2.gz NRLZESJIVRRGAP-YVEFUNNKSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573433786 948205611 /nfs/dbraw/zinc/20/56/11/948205611.db2.gz NRLZESJIVRRGAP-YVEFUNNKSA-N -1 1 385.432 -0.072 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434155 948207876 /nfs/dbraw/zinc/20/78/76/948207876.db2.gz OOJKHHQSQFMLKQ-APPDUMDISA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434155 948207868 /nfs/dbraw/zinc/20/78/68/948207868.db2.gz OOJKHHQSQFMLKQ-APPDUMDISA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434158 948209124 /nfs/dbraw/zinc/20/91/24/948209124.db2.gz OOJKHHQSQFMLKQ-DIFFPNOSSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434158 948209115 /nfs/dbraw/zinc/20/91/15/948209115.db2.gz OOJKHHQSQFMLKQ-DIFFPNOSSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434161 948208932 /nfs/dbraw/zinc/20/89/32/948208932.db2.gz OOJKHHQSQFMLKQ-GTNSWQLSSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434161 948208925 /nfs/dbraw/zinc/20/89/25/948208925.db2.gz OOJKHHQSQFMLKQ-GTNSWQLSSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434164 948210184 /nfs/dbraw/zinc/21/01/84/948210184.db2.gz OOJKHHQSQFMLKQ-PIGZYNQJSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434164 948210174 /nfs/dbraw/zinc/21/01/74/948210174.db2.gz OOJKHHQSQFMLKQ-PIGZYNQJSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573434286 948213079 /nfs/dbraw/zinc/21/30/79/948213079.db2.gz PVGSZJMTNHMKLO-APPDUMDISA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573434287 948213126 /nfs/dbraw/zinc/21/31/26/948213126.db2.gz PVGSZJMTNHMKLO-DIFFPNOSSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573434288 948212524 /nfs/dbraw/zinc/21/25/24/948212524.db2.gz PVGSZJMTNHMKLO-GTNSWQLSSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573434289 948212727 /nfs/dbraw/zinc/21/27/27/948212727.db2.gz PVGSZJMTNHMKLO-PIGZYNQJSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573434301 948213062 /nfs/dbraw/zinc/21/30/62/948213062.db2.gz PZLFYDZOFCFUOS-INIZCTEOSA-N -1 1 385.432 -0.024 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573434301 948213056 /nfs/dbraw/zinc/21/30/56/948213056.db2.gz PZLFYDZOFCFUOS-INIZCTEOSA-N -1 1 385.432 -0.024 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573434302 948213865 /nfs/dbraw/zinc/21/38/65/948213865.db2.gz PZLFYDZOFCFUOS-MRXNPFEDSA-N -1 1 385.432 -0.024 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573434302 948213852 /nfs/dbraw/zinc/21/38/52/948213852.db2.gz PZLFYDZOFCFUOS-MRXNPFEDSA-N -1 1 385.432 -0.024 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573434600 948216727 /nfs/dbraw/zinc/21/67/27/948216727.db2.gz RDCLDPMKEJWVRJ-APPDUMDISA-N -1 1 387.448 -0.404 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573434601 948217653 /nfs/dbraw/zinc/21/76/53/948217653.db2.gz RDCLDPMKEJWVRJ-DIFFPNOSSA-N -1 1 387.448 -0.404 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573434602 948216493 /nfs/dbraw/zinc/21/64/93/948216493.db2.gz RDCLDPMKEJWVRJ-GTNSWQLSSA-N -1 1 387.448 -0.404 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573434604 948216952 /nfs/dbraw/zinc/21/69/52/948216952.db2.gz RDCLDPMKEJWVRJ-PIGZYNQJSA-N -1 1 387.448 -0.404 20 0 GBADMM 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CC(=O)N1CCC(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001573434698 948217768 /nfs/dbraw/zinc/21/77/68/948217768.db2.gz SJFHATCVHWMDOM-BETUJISGSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001573434700 948216882 /nfs/dbraw/zinc/21/68/82/948216882.db2.gz SJFHATCVHWMDOM-JOCQHMNTSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001573434700 948216876 /nfs/dbraw/zinc/21/68/76/948216876.db2.gz SJFHATCVHWMDOM-JOCQHMNTSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001573434730 948220410 /nfs/dbraw/zinc/22/04/10/948220410.db2.gz VFGXECJWZNPHDS-RTXFEEFZSA-N -1 1 385.388 -0.713 20 0 GBADMM CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001573434730 948220402 /nfs/dbraw/zinc/22/04/02/948220402.db2.gz VFGXECJWZNPHDS-RTXFEEFZSA-N -1 1 385.388 -0.713 20 0 GBADMM CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001573434731 948219222 /nfs/dbraw/zinc/21/92/22/948219222.db2.gz VFGXECJWZNPHDS-UHTWSYAYSA-N -1 1 385.388 -0.713 20 0 GBADMM CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001573434731 948219215 /nfs/dbraw/zinc/21/92/15/948219215.db2.gz VFGXECJWZNPHDS-UHTWSYAYSA-N -1 1 385.388 -0.713 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573434935 948222575 /nfs/dbraw/zinc/22/25/75/948222575.db2.gz SWSGLDMDQSQGPE-KRWDZBQOSA-N -1 1 385.432 -0.436 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573434935 948222567 /nfs/dbraw/zinc/22/25/67/948222567.db2.gz SWSGLDMDQSQGPE-KRWDZBQOSA-N -1 1 385.432 -0.436 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573434936 948221256 /nfs/dbraw/zinc/22/12/56/948221256.db2.gz SWSGLDMDQSQGPE-QGZVFWFLSA-N -1 1 385.432 -0.436 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573434936 948221247 /nfs/dbraw/zinc/22/12/47/948221247.db2.gz SWSGLDMDQSQGPE-QGZVFWFLSA-N -1 1 385.432 -0.436 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573434941 948221964 /nfs/dbraw/zinc/22/19/64/948221964.db2.gz SXTBIIUUTISRDX-APPDUMDISA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573434941 948221956 /nfs/dbraw/zinc/22/19/56/948221956.db2.gz SXTBIIUUTISRDX-APPDUMDISA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573434942 948221229 /nfs/dbraw/zinc/22/12/29/948221229.db2.gz SXTBIIUUTISRDX-DIFFPNOSSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573434942 948221219 /nfs/dbraw/zinc/22/12/19/948221219.db2.gz SXTBIIUUTISRDX-DIFFPNOSSA-N -1 1 387.448 -0.144 20 0 GBADMM 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CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573449366 945819356 /nfs/dbraw/zinc/81/93/56/945819356.db2.gz ZQVBZIDFYNJPMS-YRGRVCCFSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573449366 945819344 /nfs/dbraw/zinc/81/93/44/945819344.db2.gz ZQVBZIDFYNJPMS-YRGRVCCFSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573449367 945819813 /nfs/dbraw/zinc/81/98/13/945819813.db2.gz ZTVRCFSEQXYKOR-ORHYLEIMSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CCC[C@@H]1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573449367 945819806 /nfs/dbraw/zinc/81/98/06/945819806.db2.gz ZTVRCFSEQXYKOR-ORHYLEIMSA-N -1 1 385.432 -0.026 20 0 GBADMM CC(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001573450286 945819080 /nfs/dbraw/zinc/81/90/80/945819080.db2.gz BPXZAFALWCFTGS-ZJUUUORDSA-N -1 1 383.459 -0.534 20 0 GBADMM CC(=O)N1CCc2cc(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)ccc21 ZINC001573450303 945818422 /nfs/dbraw/zinc/81/84/22/945818422.db2.gz CMLSRQGQRCBTDE-UHFFFAOYSA-N -1 1 396.367 -0.323 20 0 GBADMM CC(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC12CCCCC2 ZINC001573451733 945841695 /nfs/dbraw/zinc/84/16/95/945841695.db2.gz ZHCWGICEGQTJMY-UHFFFAOYSA-N -1 1 388.432 -0.375 20 0 GBADMM CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001573451763 945843862 /nfs/dbraw/zinc/84/38/62/945843862.db2.gz ZTFZLMBIHWHEBV-NWDGAFQWSA-N -1 1 382.471 -0.242 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573452241 945846990 /nfs/dbraw/zinc/84/69/90/945846990.db2.gz CCXBTPFVRRVYJF-APPDUMDISA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573452242 945846782 /nfs/dbraw/zinc/84/67/82/945846782.db2.gz CCXBTPFVRRVYJF-DIFFPNOSSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573452243 945847048 /nfs/dbraw/zinc/84/70/48/945847048.db2.gz CCXBTPFVRRVYJF-GTNSWQLSSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573452244 945845934 /nfs/dbraw/zinc/84/59/34/945845934.db2.gz CCXBTPFVRRVYJF-PIGZYNQJSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573452406 945849009 /nfs/dbraw/zinc/84/90/09/945849009.db2.gz DZBOHAUVNNZFLE-CYBMUJFWSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573452406 945848988 /nfs/dbraw/zinc/84/89/88/945848988.db2.gz DZBOHAUVNNZFLE-CYBMUJFWSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573452408 945849095 /nfs/dbraw/zinc/84/90/95/945849095.db2.gz DZBOHAUVNNZFLE-ZDUSSCGKSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573452408 945849079 /nfs/dbraw/zinc/84/90/79/945849079.db2.gz DZBOHAUVNNZFLE-ZDUSSCGKSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573452497 945851623 /nfs/dbraw/zinc/85/16/23/945851623.db2.gz GADAMEMGOLCDRN-HNNXBMFYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573452497 945851607 /nfs/dbraw/zinc/85/16/07/945851607.db2.gz GADAMEMGOLCDRN-HNNXBMFYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573452499 945851716 /nfs/dbraw/zinc/85/17/16/945851716.db2.gz GADAMEMGOLCDRN-OAHLLOKOSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573452499 945851700 /nfs/dbraw/zinc/85/17/00/945851700.db2.gz GADAMEMGOLCDRN-OAHLLOKOSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573452732 945854338 /nfs/dbraw/zinc/85/43/38/945854338.db2.gz HKEFKXNROGYGAX-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573452732 945854325 /nfs/dbraw/zinc/85/43/25/945854325.db2.gz HKEFKXNROGYGAX-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573452735 945851669 /nfs/dbraw/zinc/85/16/69/945851669.db2.gz HKEFKXNROGYGAX-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573452735 945851652 /nfs/dbraw/zinc/85/16/52/945851652.db2.gz HKEFKXNROGYGAX-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573452738 945853000 /nfs/dbraw/zinc/85/30/00/945853000.db2.gz HKEFKXNROGYGAX-SJKOYZFVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573452738 945852984 /nfs/dbraw/zinc/85/29/84/945852984.db2.gz HKEFKXNROGYGAX-SJKOYZFVSA-N -1 1 387.448 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CC(=O)N[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)C(C)C ZINC001573452807 945853704 /nfs/dbraw/zinc/85/37/04/945853704.db2.gz HVYQPJJGYAVDIL-NSHDSACASA-N -1 1 377.409 -0.474 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573452873 945856258 /nfs/dbraw/zinc/85/62/58/945856258.db2.gz IMZSHGZFICBWIL-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573452875 945857724 /nfs/dbraw/zinc/85/77/24/945857724.db2.gz IMZSHGZFICBWIL-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453228 945859726 /nfs/dbraw/zinc/85/97/26/945859726.db2.gz JZGPYOWHNSSVDX-APPDUMDISA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453229 945860603 /nfs/dbraw/zinc/86/06/03/945860603.db2.gz JZGPYOWHNSSVDX-DIFFPNOSSA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453230 945860083 /nfs/dbraw/zinc/86/00/83/945860083.db2.gz JZGPYOWHNSSVDX-GTNSWQLSSA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453232 945859760 /nfs/dbraw/zinc/85/97/60/945859760.db2.gz JZGPYOWHNSSVDX-PIGZYNQJSA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)C(C)C ZINC001573453280 945858265 /nfs/dbraw/zinc/85/82/65/945858265.db2.gz KPLKLJLEPLNVGB-INIZCTEOSA-N -1 1 390.404 -0.937 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)C(C)C ZINC001573453281 945858073 /nfs/dbraw/zinc/85/80/73/945858073.db2.gz KPLKLJLEPLNVGB-MRXNPFEDSA-N -1 1 390.404 -0.937 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453287 945859870 /nfs/dbraw/zinc/85/98/70/945859870.db2.gz KWFWZNMFSJQBTR-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453288 945860513 /nfs/dbraw/zinc/86/05/13/945860513.db2.gz KWFWZNMFSJQBTR-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453289 945859598 /nfs/dbraw/zinc/85/95/98/945859598.db2.gz KWFWZNMFSJQBTR-SJKOYZFVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453290 945859681 /nfs/dbraw/zinc/85/96/81/945859681.db2.gz KWFWZNMFSJQBTR-YVEFUNNKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573453512 945860789 /nfs/dbraw/zinc/86/07/89/945860789.db2.gz LJTRNFOTTABPGF-HZMBPMFUSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573453513 945859563 /nfs/dbraw/zinc/85/95/63/945859563.db2.gz LJTRNFOTTABPGF-IINYFYTJSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573453514 945859120 /nfs/dbraw/zinc/85/91/20/945859120.db2.gz LJTRNFOTTABPGF-QMTHXVAHSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573453515 945860422 /nfs/dbraw/zinc/86/04/22/945860422.db2.gz LJTRNFOTTABPGF-YGRLFVJLSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453629 945864081 /nfs/dbraw/zinc/86/40/81/945864081.db2.gz NMNLGNJTRGHHHT-INIZCTEOSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453630 945862570 /nfs/dbraw/zinc/86/25/70/945862570.db2.gz NMNLGNJTRGHHHT-MRXNPFEDSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573453738 945864642 /nfs/dbraw/zinc/86/46/42/945864642.db2.gz OCLJKLIGRCWGIH-HNNXBMFYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573453738 945864632 /nfs/dbraw/zinc/86/46/32/945864632.db2.gz OCLJKLIGRCWGIH-HNNXBMFYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573453739 945866091 /nfs/dbraw/zinc/86/60/91/945866091.db2.gz OCLJKLIGRCWGIH-OAHLLOKOSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573453739 945866082 /nfs/dbraw/zinc/86/60/82/945866082.db2.gz OCLJKLIGRCWGIH-OAHLLOKOSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453782 945866666 /nfs/dbraw/zinc/86/66/66/945866666.db2.gz QDIGZSCFMCYGCJ-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573453782 945866657 /nfs/dbraw/zinc/86/66/57/945866657.db2.gz QDIGZSCFMCYGCJ-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453783 945864416 /nfs/dbraw/zinc/86/44/16/945864416.db2.gz QDIGZSCFMCYGCJ-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573453783 945864408 /nfs/dbraw/zinc/86/44/08/945864408.db2.gz QDIGZSCFMCYGCJ-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453784 945866728 /nfs/dbraw/zinc/86/67/28/945866728.db2.gz QDIGZSCFMCYGCJ-SJKOYZFVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573453784 945866717 /nfs/dbraw/zinc/86/67/17/945866717.db2.gz QDIGZSCFMCYGCJ-SJKOYZFVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453785 945867272 /nfs/dbraw/zinc/86/72/72/945867272.db2.gz QDIGZSCFMCYGCJ-YVEFUNNKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573453785 945867263 /nfs/dbraw/zinc/86/72/63/945867263.db2.gz QDIGZSCFMCYGCJ-YVEFUNNKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)C ZINC001573453836 945869896 /nfs/dbraw/zinc/86/98/96/945869896.db2.gz RDOZRULWVRMKCL-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)C ZINC001573453836 945869887 /nfs/dbraw/zinc/86/98/87/945869887.db2.gz RDOZRULWVRMKCL-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)C ZINC001573453837 945869289 /nfs/dbraw/zinc/86/92/89/945869289.db2.gz RDOZRULWVRMKCL-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)C ZINC001573453837 945869277 /nfs/dbraw/zinc/86/92/77/945869277.db2.gz RDOZRULWVRMKCL-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573453838 945870058 /nfs/dbraw/zinc/87/00/58/945870058.db2.gz REKSZZOVJPPEBS-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573453838 945870050 /nfs/dbraw/zinc/87/00/50/945870050.db2.gz REKSZZOVJPPEBS-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573453938 945867868 /nfs/dbraw/zinc/86/78/68/945867868.db2.gz REKSZZOVJPPEBS-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573453938 945867858 /nfs/dbraw/zinc/86/78/58/945867858.db2.gz REKSZZOVJPPEBS-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573453939 945868263 /nfs/dbraw/zinc/86/82/63/945868263.db2.gz REKSZZOVJPPEBS-SJKOYZFVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573453939 945868247 /nfs/dbraw/zinc/86/82/47/945868247.db2.gz REKSZZOVJPPEBS-SJKOYZFVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573453940 945868022 /nfs/dbraw/zinc/86/80/22/945868022.db2.gz REKSZZOVJPPEBS-YVEFUNNKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573453940 945868019 /nfs/dbraw/zinc/86/80/19/945868019.db2.gz REKSZZOVJPPEBS-YVEFUNNKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573453948 945869381 /nfs/dbraw/zinc/86/93/81/945869381.db2.gz RHTFMRTUZMUVPF-AWEZNQCLSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573453949 945869345 /nfs/dbraw/zinc/86/93/45/945869345.db2.gz RHTFMRTUZMUVPF-CQSZACIVSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453981 945868861 /nfs/dbraw/zinc/86/88/61/945868861.db2.gz SINMWKWUPOUKAK-HWPZZCPQSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453982 945870080 /nfs/dbraw/zinc/87/00/80/945870080.db2.gz SINMWKWUPOUKAK-MGPLVRAMSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@](C)(C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453983 945869842 /nfs/dbraw/zinc/86/98/42/945869842.db2.gz SINMWKWUPOUKAK-QFYYESIMSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453984 945868517 /nfs/dbraw/zinc/86/85/17/945868517.db2.gz SINMWKWUPOUKAK-QLJPJBMISA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573454219 945872447 /nfs/dbraw/zinc/87/24/47/945872447.db2.gz VASUQBGFWCKWOL-INIZCTEOSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573454221 945873520 /nfs/dbraw/zinc/87/35/20/945873520.db2.gz VASUQBGFWCKWOL-MRXNPFEDSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573454268 945871559 /nfs/dbraw/zinc/87/15/59/945871559.db2.gz VTTNVITVPUXXAG-PXAZEXFGSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573454269 945871516 /nfs/dbraw/zinc/87/15/16/945871516.db2.gz VTTNVITVPUXXAG-SJCJKPOMSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573454270 945870682 /nfs/dbraw/zinc/87/06/82/945870682.db2.gz VTTNVITVPUXXAG-SJKOYZFVSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573454271 945872797 /nfs/dbraw/zinc/87/27/97/945872797.db2.gz VTTNVITVPUXXAG-YVEFUNNKSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)C ZINC001573454289 945876695 /nfs/dbraw/zinc/87/66/95/945876695.db2.gz WCFVANHPUIZJGM-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)C ZINC001573454289 945876688 /nfs/dbraw/zinc/87/66/88/945876688.db2.gz WCFVANHPUIZJGM-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)C ZINC001573454290 945874512 /nfs/dbraw/zinc/87/45/12/945874512.db2.gz WCFVANHPUIZJGM-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)C ZINC001573454290 945874500 /nfs/dbraw/zinc/87/45/00/945874500.db2.gz WCFVANHPUIZJGM-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC001573454306 945876725 /nfs/dbraw/zinc/87/67/25/945876725.db2.gz WXTCBXHCZCGKJE-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC001573454306 945876715 /nfs/dbraw/zinc/87/67/15/945876715.db2.gz WXTCBXHCZCGKJE-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC001573454307 945876344 /nfs/dbraw/zinc/87/63/44/945876344.db2.gz WXTCBXHCZCGKJE-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC001573454307 945876333 /nfs/dbraw/zinc/87/63/33/945876333.db2.gz WXTCBXHCZCGKJE-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573454324 945876849 /nfs/dbraw/zinc/87/68/49/945876849.db2.gz XPYNMPWUDUBOQV-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)C ZINC001573454324 945876842 /nfs/dbraw/zinc/87/68/42/945876842.db2.gz XPYNMPWUDUBOQV-KRWDZBQOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573454325 945875196 /nfs/dbraw/zinc/87/51/96/945875196.db2.gz XPYNMPWUDUBOQV-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)C ZINC001573454325 945875192 /nfs/dbraw/zinc/87/51/92/945875192.db2.gz XPYNMPWUDUBOQV-QGZVFWFLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573454537 945876062 /nfs/dbraw/zinc/87/60/62/945876062.db2.gz ZATYYRPWEFWMGJ-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573454537 945876051 /nfs/dbraw/zinc/87/60/51/945876051.db2.gz ZATYYRPWEFWMGJ-PXAZEXFGSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573454539 945874270 /nfs/dbraw/zinc/87/42/70/945874270.db2.gz ZATYYRPWEFWMGJ-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573454539 945874250 /nfs/dbraw/zinc/87/42/50/945874250.db2.gz ZATYYRPWEFWMGJ-SJCJKPOMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573454540 945874432 /nfs/dbraw/zinc/87/44/32/945874432.db2.gz ZATYYRPWEFWMGJ-SJKOYZFVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573454540 945874418 /nfs/dbraw/zinc/87/44/18/945874418.db2.gz ZATYYRPWEFWMGJ-SJKOYZFVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573454541 945875003 /nfs/dbraw/zinc/87/50/03/945875003.db2.gz ZATYYRPWEFWMGJ-YVEFUNNKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573454541 945874990 /nfs/dbraw/zinc/87/49/90/945874990.db2.gz ZATYYRPWEFWMGJ-YVEFUNNKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@](C)(C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573455277 945878122 /nfs/dbraw/zinc/87/81/22/945878122.db2.gz BJVCEWOHEMZSEF-INIZCTEOSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@](C)(C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573455277 945878115 /nfs/dbraw/zinc/87/81/15/945878115.db2.gz BJVCEWOHEMZSEF-INIZCTEOSA-N -1 1 375.437 -0.240 20 0 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DPKAJWNXOWDEOM-GFCCVEGCSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573455535 945881926 /nfs/dbraw/zinc/88/19/26/945881926.db2.gz DPKAJWNXOWDEOM-GFCCVEGCSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573455536 945880955 /nfs/dbraw/zinc/88/09/55/945880955.db2.gz DPKAJWNXOWDEOM-LBPRGKRZSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573455536 945880944 /nfs/dbraw/zinc/88/09/44/945880944.db2.gz DPKAJWNXOWDEOM-LBPRGKRZSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573455547 945883255 /nfs/dbraw/zinc/88/32/55/945883255.db2.gz DUVZKVRNUZQVQJ-UHFFFAOYSA-N -1 1 387.448 -0.214 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573455590 945884154 /nfs/dbraw/zinc/88/41/54/945884154.db2.gz FLALVNRJMMPSER-APPDUMDISA-N -1 1 389.464 -0.064 20 0 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HCQDMSRYHCXBGR-MRXNPFEDSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@](C)(C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573455841 945888238 /nfs/dbraw/zinc/88/82/38/945888238.db2.gz HCQDMSRYHCXBGR-MRXNPFEDSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573455864 945887875 /nfs/dbraw/zinc/88/78/75/945887875.db2.gz HNNPCCPQKXZTNH-UHFFFAOYSA-N -1 1 375.437 -0.226 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573455864 945887862 /nfs/dbraw/zinc/88/78/62/945887862.db2.gz HNNPCCPQKXZTNH-UHFFFAOYSA-N -1 1 375.437 -0.226 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573455908 945887560 /nfs/dbraw/zinc/88/75/60/945887560.db2.gz HWAVHSGOXRXRTE-TXEJJXNPSA-N -1 1 385.432 -0.249 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573455908 945887552 /nfs/dbraw/zinc/88/75/52/945887552.db2.gz HWAVHSGOXRXRTE-TXEJJXNPSA-N -1 1 385.432 -0.249 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573456333 945890169 /nfs/dbraw/zinc/89/01/69/945890169.db2.gz JKCQEIOWLAWWEQ-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573456333 945890155 /nfs/dbraw/zinc/89/01/55/945890155.db2.gz JKCQEIOWLAWWEQ-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573456366 945891789 /nfs/dbraw/zinc/89/17/89/945891789.db2.gz KBBKSTYUOFMYMD-TXEJJXNPSA-N -1 1 385.432 -0.249 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573456366 945891775 /nfs/dbraw/zinc/89/17/75/945891775.db2.gz KBBKSTYUOFMYMD-TXEJJXNPSA-N -1 1 385.432 -0.249 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573456377 945892572 /nfs/dbraw/zinc/89/25/72/945892572.db2.gz KDWXUIUQIGXTAE-LLVKDONJSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573456381 945892010 /nfs/dbraw/zinc/89/20/10/945892010.db2.gz KDWXUIUQIGXTAE-NSHDSACASA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573456385 945891821 /nfs/dbraw/zinc/89/18/21/945891821.db2.gz KENCJPAAUIQODX-GFCCVEGCSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573456388 945892639 /nfs/dbraw/zinc/89/26/39/945892639.db2.gz KENCJPAAUIQODX-LBPRGKRZSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573456412 945889818 /nfs/dbraw/zinc/88/98/18/945889818.db2.gz KIWHBIQCYCJJBC-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573456412 945889806 /nfs/dbraw/zinc/88/98/06/945889806.db2.gz KIWHBIQCYCJJBC-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 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1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573459614 945915409 /nfs/dbraw/zinc/91/54/09/945915409.db2.gz HMJVDYIOFQNDDW-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573460050 945916079 /nfs/dbraw/zinc/91/60/79/945916079.db2.gz IEFQQPOTHACYDB-LLVKDONJSA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573460050 945916073 /nfs/dbraw/zinc/91/60/73/945916073.db2.gz IEFQQPOTHACYDB-LLVKDONJSA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573460051 945915393 /nfs/dbraw/zinc/91/53/93/945915393.db2.gz IEFQQPOTHACYDB-NSHDSACASA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573460051 945915384 /nfs/dbraw/zinc/91/53/84/945915384.db2.gz IEFQQPOTHACYDB-NSHDSACASA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573460078 945915915 /nfs/dbraw/zinc/91/59/15/945915915.db2.gz INKUZGIGZSHWJU-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573460078 945915908 /nfs/dbraw/zinc/91/59/08/945915908.db2.gz INKUZGIGZSHWJU-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573460080 945915141 /nfs/dbraw/zinc/91/51/41/945915141.db2.gz INKUZGIGZSHWJU-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573460080 945915131 /nfs/dbraw/zinc/91/51/31/945915131.db2.gz INKUZGIGZSHWJU-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573460095 945914957 /nfs/dbraw/zinc/91/49/57/945914957.db2.gz IVYYOTAGKXNKIJ-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573460095 945914946 /nfs/dbraw/zinc/91/49/46/945914946.db2.gz IVYYOTAGKXNKIJ-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573460098 945914722 /nfs/dbraw/zinc/91/47/22/945914722.db2.gz IVYYOTAGKXNKIJ-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573460098 945914714 /nfs/dbraw/zinc/91/47/14/945914714.db2.gz IVYYOTAGKXNKIJ-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573460131 945915089 /nfs/dbraw/zinc/91/50/89/945915089.db2.gz JFDVEXASMYHRAJ-RYUDHWBXSA-N -1 1 385.432 -0.331 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573460131 945915081 /nfs/dbraw/zinc/91/50/81/945915081.db2.gz JFDVEXASMYHRAJ-RYUDHWBXSA-N -1 1 385.432 -0.331 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001573460337 945918088 /nfs/dbraw/zinc/91/80/88/945918088.db2.gz KLPMNBXBMYEOFW-UHFFFAOYSA-N -1 1 377.409 -0.652 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001573460337 945918077 /nfs/dbraw/zinc/91/80/77/945918077.db2.gz KLPMNBXBMYEOFW-UHFFFAOYSA-N -1 1 377.409 -0.652 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573460388 945918665 /nfs/dbraw/zinc/91/86/65/945918665.db2.gz KRVFCUOHRDHCRK-TXEJJXNPSA-N -1 1 385.432 -0.534 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573460388 945918655 /nfs/dbraw/zinc/91/86/55/945918655.db2.gz KRVFCUOHRDHCRK-TXEJJXNPSA-N -1 1 385.432 -0.534 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573460654 945918626 /nfs/dbraw/zinc/91/86/26/945918626.db2.gz LLKIPBLCKSWPIK-NXEZZACHSA-N -1 1 375.437 -0.312 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573460655 945917203 /nfs/dbraw/zinc/91/72/03/945917203.db2.gz LLKIPBLCKSWPIK-UWVGGRQHSA-N -1 1 375.437 -0.312 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573460656 945917287 /nfs/dbraw/zinc/91/72/87/945917287.db2.gz LLKIPBLCKSWPIK-VHSXEESVSA-N -1 1 375.437 -0.312 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573460657 945918175 /nfs/dbraw/zinc/91/81/75/945918175.db2.gz LLKIPBLCKSWPIK-ZJUUUORDSA-N -1 1 375.437 -0.312 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573460664 945917517 /nfs/dbraw/zinc/91/75/17/945917517.db2.gz LPSCJNWNRPLPQK-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573460664 945917511 /nfs/dbraw/zinc/91/75/11/945917511.db2.gz LPSCJNWNRPLPQK-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573460666 945917341 /nfs/dbraw/zinc/91/73/41/945917341.db2.gz LPSCJNWNRPLPQK-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573460666 945917337 /nfs/dbraw/zinc/91/73/37/945917337.db2.gz LPSCJNWNRPLPQK-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573460783 945917377 /nfs/dbraw/zinc/91/73/77/945917377.db2.gz MATVLYVQNWTESO-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573460874 945920727 /nfs/dbraw/zinc/92/07/27/945920727.db2.gz MSTSKRWRLIEESN-TXEJJXNPSA-N -1 1 385.432 -0.534 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573460874 945920715 /nfs/dbraw/zinc/92/07/15/945920715.db2.gz MSTSKRWRLIEESN-TXEJJXNPSA-N -1 1 385.432 -0.534 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573461500 945923653 /nfs/dbraw/zinc/92/36/53/945923653.db2.gz OWXZWZLCZDUGGL-GFCCVEGCSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573461500 945923649 /nfs/dbraw/zinc/92/36/49/945923649.db2.gz OWXZWZLCZDUGGL-GFCCVEGCSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573461502 945922714 /nfs/dbraw/zinc/92/27/14/945922714.db2.gz OWXZWZLCZDUGGL-LBPRGKRZSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573461502 945922709 /nfs/dbraw/zinc/92/27/09/945922709.db2.gz OWXZWZLCZDUGGL-LBPRGKRZSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573461558 945922734 /nfs/dbraw/zinc/92/27/34/945922734.db2.gz PIIVJZCSKKQICV-XIKOKIGWSA-N -1 1 399.459 -0.144 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573461558 945922727 /nfs/dbraw/zinc/92/27/27/945922727.db2.gz PIIVJZCSKKQICV-XIKOKIGWSA-N -1 1 399.459 -0.144 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573461572 945922180 /nfs/dbraw/zinc/92/21/80/945922180.db2.gz PQDJEWGSYCTJRJ-GFCCVEGCSA-N -1 1 387.448 -0.214 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573461577 945921974 /nfs/dbraw/zinc/92/19/74/945921974.db2.gz PQDJEWGSYCTJRJ-LBPRGKRZSA-N -1 1 387.448 -0.214 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573461601 945922445 /nfs/dbraw/zinc/92/24/45/945922445.db2.gz QCZOIBUAHPUASS-LLVKDONJSA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573461601 945922438 /nfs/dbraw/zinc/92/24/38/945922438.db2.gz QCZOIBUAHPUASS-LLVKDONJSA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573461602 945922659 /nfs/dbraw/zinc/92/26/59/945922659.db2.gz QCZOIBUAHPUASS-NSHDSACASA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573461602 945922653 /nfs/dbraw/zinc/92/26/53/945922653.db2.gz QCZOIBUAHPUASS-NSHDSACASA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573461930 945926960 /nfs/dbraw/zinc/92/69/60/945926960.db2.gz ULAUBTLPTRASBH-UHFFFAOYSA-N -1 1 388.432 -0.313 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573461930 945926948 /nfs/dbraw/zinc/92/69/48/945926948.db2.gz ULAUBTLPTRASBH-UHFFFAOYSA-N -1 1 388.432 -0.313 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573461964 945928631 /nfs/dbraw/zinc/92/86/31/945928631.db2.gz UMMHTAAYHVMOSX-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573461964 945928625 /nfs/dbraw/zinc/92/86/25/945928625.db2.gz UMMHTAAYHVMOSX-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573461965 945927512 /nfs/dbraw/zinc/92/75/12/945927512.db2.gz UNYWHNRERRBFCW-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573461966 945928677 /nfs/dbraw/zinc/92/86/77/945928677.db2.gz UNYWHNRERRBFCW-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573461985 945928406 /nfs/dbraw/zinc/92/84/06/945928406.db2.gz VCZQSEYTPMZJQR-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573461985 945928397 /nfs/dbraw/zinc/92/83/97/945928397.db2.gz VCZQSEYTPMZJQR-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573461986 945926634 /nfs/dbraw/zinc/92/66/34/945926634.db2.gz VCZQSEYTPMZJQR-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573461986 945926631 /nfs/dbraw/zinc/92/66/31/945926631.db2.gz VCZQSEYTPMZJQR-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001573461991 945927760 /nfs/dbraw/zinc/92/77/60/945927760.db2.gz VFYSCABEUMOSAI-UHFFFAOYSA-N -1 1 391.436 -0.343 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001573461991 945927748 /nfs/dbraw/zinc/92/77/48/945927748.db2.gz VFYSCABEUMOSAI-UHFFFAOYSA-N -1 1 391.436 -0.343 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573461994 945927102 /nfs/dbraw/zinc/92/71/02/945927102.db2.gz VNFNILZPSBXVEB-JTQLQIEISA-N -1 1 375.437 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573461994 945927090 /nfs/dbraw/zinc/92/70/90/945927090.db2.gz VNFNILZPSBXVEB-JTQLQIEISA-N -1 1 375.437 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573461995 945927398 /nfs/dbraw/zinc/92/73/98/945927398.db2.gz VNFNILZPSBXVEB-SNVBAGLBSA-N -1 1 375.437 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573461995 945927396 /nfs/dbraw/zinc/92/73/96/945927396.db2.gz VNFNILZPSBXVEB-SNVBAGLBSA-N -1 1 375.437 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573462003 945927036 /nfs/dbraw/zinc/92/70/36/945927036.db2.gz VRHPSYHAJGKFCW-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573462003 945927031 /nfs/dbraw/zinc/92/70/31/945927031.db2.gz VRHPSYHAJGKFCW-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573462004 945927120 /nfs/dbraw/zinc/92/71/20/945927120.db2.gz VRHPSYHAJGKFCW-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573462004 945927111 /nfs/dbraw/zinc/92/71/11/945927111.db2.gz VRHPSYHAJGKFCW-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573462053 945930150 /nfs/dbraw/zinc/93/01/50/945930150.db2.gz XELBLVIJGYNRAI-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573462053 945930145 /nfs/dbraw/zinc/93/01/45/945930145.db2.gz XELBLVIJGYNRAI-UHFFFAOYSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573462054 945930022 /nfs/dbraw/zinc/93/00/22/945930022.db2.gz XHZLRQWAGATWTC-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573462054 945930018 /nfs/dbraw/zinc/93/00/18/945930018.db2.gz XHZLRQWAGATWTC-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573462055 945929877 /nfs/dbraw/zinc/92/98/77/945929877.db2.gz XHZLRQWAGATWTC-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573462055 945929866 /nfs/dbraw/zinc/92/98/66/945929866.db2.gz XHZLRQWAGATWTC-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573462058 945929469 /nfs/dbraw/zinc/92/94/69/945929469.db2.gz XJMNEUYANTZGKV-TXEJJXNPSA-N -1 1 385.432 -0.534 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573462058 945929460 /nfs/dbraw/zinc/92/94/60/945929460.db2.gz XJMNEUYANTZGKV-TXEJJXNPSA-N -1 1 385.432 -0.534 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573462062 945929353 /nfs/dbraw/zinc/92/93/53/945929353.db2.gz XQOMNUFOZAKYNC-LLVKDONJSA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573462062 945929346 /nfs/dbraw/zinc/92/93/46/945929346.db2.gz XQOMNUFOZAKYNC-LLVKDONJSA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573462063 945929627 /nfs/dbraw/zinc/92/96/27/945929627.db2.gz XQOMNUFOZAKYNC-NSHDSACASA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573462063 945929619 /nfs/dbraw/zinc/92/96/19/945929619.db2.gz XQOMNUFOZAKYNC-NSHDSACASA-N -1 1 389.420 -0.789 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001573462080 945930007 /nfs/dbraw/zinc/93/00/07/945930007.db2.gz YTBXYBAHYBGCMY-GFCCVEGCSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001573462081 945929147 /nfs/dbraw/zinc/92/91/47/945929147.db2.gz YTBXYBAHYBGCMY-LBPRGKRZSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573462086 945930804 /nfs/dbraw/zinc/93/08/04/945930804.db2.gz ZEYDJKJWGRPRHH-TXEJJXNPSA-N -1 1 385.432 -0.534 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573462092 945930842 /nfs/dbraw/zinc/93/08/42/945930842.db2.gz ZJSHPQHLOCZQEE-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573462092 945930830 /nfs/dbraw/zinc/93/08/30/945930830.db2.gz ZJSHPQHLOCZQEE-GFCCVEGCSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573462093 945929390 /nfs/dbraw/zinc/92/93/90/945929390.db2.gz ZJSHPQHLOCZQEE-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573462093 945929380 /nfs/dbraw/zinc/92/93/80/945929380.db2.gz ZJSHPQHLOCZQEE-LBPRGKRZSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573462142 945933027 /nfs/dbraw/zinc/93/30/27/945933027.db2.gz APALMKDXKIIUGV-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573462142 945933022 /nfs/dbraw/zinc/93/30/22/945933022.db2.gz APALMKDXKIIUGV-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573462221 945934707 /nfs/dbraw/zinc/93/47/07/945934707.db2.gz CWCXPNYATLVJSH-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573462221 945934700 /nfs/dbraw/zinc/93/47/00/945934700.db2.gz CWCXPNYATLVJSH-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573462324 945936729 /nfs/dbraw/zinc/93/67/29/945936729.db2.gz GOGMVVHQGMTTPG-GFCCVEGCSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573462324 945936719 /nfs/dbraw/zinc/93/67/19/945936719.db2.gz GOGMVVHQGMTTPG-GFCCVEGCSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573462325 945936962 /nfs/dbraw/zinc/93/69/62/945936962.db2.gz GOGMVVHQGMTTPG-LBPRGKRZSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573462325 945936954 /nfs/dbraw/zinc/93/69/54/945936954.db2.gz GOGMVVHQGMTTPG-LBPRGKRZSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573462358 945940255 /nfs/dbraw/zinc/94/02/55/945940255.db2.gz HIVPMJNFXKIDSL-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573462358 945940248 /nfs/dbraw/zinc/94/02/48/945940248.db2.gz HIVPMJNFXKIDSL-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573462359 945940275 /nfs/dbraw/zinc/94/02/75/945940275.db2.gz HIVPMJNFXKIDSL-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573462359 945940271 /nfs/dbraw/zinc/94/02/71/945940271.db2.gz HIVPMJNFXKIDSL-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573462395 945939408 /nfs/dbraw/zinc/93/94/08/945939408.db2.gz IDDPXLIZYMERBZ-GFCCVEGCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573462395 945939396 /nfs/dbraw/zinc/93/93/96/945939396.db2.gz IDDPXLIZYMERBZ-GFCCVEGCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573462396 945939122 /nfs/dbraw/zinc/93/91/22/945939122.db2.gz IDDPXLIZYMERBZ-LBPRGKRZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573462396 945939111 /nfs/dbraw/zinc/93/91/11/945939111.db2.gz IDDPXLIZYMERBZ-LBPRGKRZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573462408 945939240 /nfs/dbraw/zinc/93/92/40/945939240.db2.gz IKCFKRHJHBZHSH-SECBINFHSA-N -1 1 382.450 -0.565 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573462410 945940116 /nfs/dbraw/zinc/94/01/16/945940116.db2.gz IKCFKRHJHBZHSH-VIFPVBQESA-N -1 1 382.450 -0.565 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573462420 945939839 /nfs/dbraw/zinc/93/98/39/945939839.db2.gz IPSHAGYXSSVHLR-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573462420 945939829 /nfs/dbraw/zinc/93/98/29/945939829.db2.gz IPSHAGYXSSVHLR-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573462423 945940100 /nfs/dbraw/zinc/94/01/00/945940100.db2.gz IPSHAGYXSSVHLR-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573462423 945940091 /nfs/dbraw/zinc/94/00/91/945940091.db2.gz IPSHAGYXSSVHLR-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573462431 945940435 /nfs/dbraw/zinc/94/04/35/945940435.db2.gz JASGQROVZCXIGB-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573462438 945942122 /nfs/dbraw/zinc/94/21/22/945942122.db2.gz JPMVUUMYZOPRRJ-GFCCVEGCSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573462438 945942112 /nfs/dbraw/zinc/94/21/12/945942112.db2.gz JPMVUUMYZOPRRJ-GFCCVEGCSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573462439 945943068 /nfs/dbraw/zinc/94/30/68/945943068.db2.gz JPMVUUMYZOPRRJ-LBPRGKRZSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573462439 945943058 /nfs/dbraw/zinc/94/30/58/945943058.db2.gz JPMVUUMYZOPRRJ-LBPRGKRZSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573462662 945945475 /nfs/dbraw/zinc/94/54/75/945945475.db2.gz LVHIRMGJSUKZGX-GFCCVEGCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573462662 945945465 /nfs/dbraw/zinc/94/54/65/945945465.db2.gz LVHIRMGJSUKZGX-GFCCVEGCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573462663 945943655 /nfs/dbraw/zinc/94/36/55/945943655.db2.gz LVHIRMGJSUKZGX-LBPRGKRZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573462663 945943644 /nfs/dbraw/zinc/94/36/44/945943644.db2.gz LVHIRMGJSUKZGX-LBPRGKRZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573462705 945945286 /nfs/dbraw/zinc/94/52/86/945945286.db2.gz MIWYRPBHGRVMEU-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573462705 945945278 /nfs/dbraw/zinc/94/52/78/945945278.db2.gz MIWYRPBHGRVMEU-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573462706 945944332 /nfs/dbraw/zinc/94/43/32/945944332.db2.gz MIWYRPBHGRVMEU-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573462706 945944324 /nfs/dbraw/zinc/94/43/24/945944324.db2.gz MIWYRPBHGRVMEU-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573462769 945944034 /nfs/dbraw/zinc/94/40/34/945944034.db2.gz MYWLGNDIIRANSC-GFCCVEGCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573462769 945944020 /nfs/dbraw/zinc/94/40/20/945944020.db2.gz MYWLGNDIIRANSC-GFCCVEGCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573462770 945945392 /nfs/dbraw/zinc/94/53/92/945945392.db2.gz MYWLGNDIIRANSC-LBPRGKRZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573462770 945945383 /nfs/dbraw/zinc/94/53/83/945945383.db2.gz MYWLGNDIIRANSC-LBPRGKRZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573462789 945945969 /nfs/dbraw/zinc/94/59/69/945945969.db2.gz NITUOSZRMBEDCH-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573462789 945945960 /nfs/dbraw/zinc/94/59/60/945945960.db2.gz NITUOSZRMBEDCH-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573462885 945946590 /nfs/dbraw/zinc/94/65/90/945946590.db2.gz NZJNQLIRURLPTI-SECBINFHSA-N -1 1 382.450 -0.565 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573462886 945947661 /nfs/dbraw/zinc/94/76/61/945947661.db2.gz NZJNQLIRURLPTI-VIFPVBQESA-N -1 1 382.450 -0.565 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573462887 945946397 /nfs/dbraw/zinc/94/63/97/945946397.db2.gz OADRCFTZTLRXDH-UHFFFAOYSA-N -1 1 387.448 -0.167 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573462978 945948594 /nfs/dbraw/zinc/94/85/94/945948594.db2.gz QCFFAYDAJFXXRB-JTQLQIEISA-N -1 1 375.437 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573462978 945948584 /nfs/dbraw/zinc/94/85/84/945948584.db2.gz QCFFAYDAJFXXRB-JTQLQIEISA-N -1 1 375.437 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573462979 945948446 /nfs/dbraw/zinc/94/84/46/945948446.db2.gz QCFFAYDAJFXXRB-SNVBAGLBSA-N -1 1 375.437 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573462979 945948435 /nfs/dbraw/zinc/94/84/35/945948435.db2.gz QCFFAYDAJFXXRB-SNVBAGLBSA-N -1 1 375.437 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573462986 945949017 /nfs/dbraw/zinc/94/90/17/945949017.db2.gz QHZXXPIDHVYTSM-GFCCVEGCSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573462986 945949012 /nfs/dbraw/zinc/94/90/12/945949012.db2.gz QHZXXPIDHVYTSM-GFCCVEGCSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573462987 945949615 /nfs/dbraw/zinc/94/96/15/945949615.db2.gz QHZXXPIDHVYTSM-LBPRGKRZSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573462987 945949609 /nfs/dbraw/zinc/94/96/09/945949609.db2.gz QHZXXPIDHVYTSM-LBPRGKRZSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573463114 945948773 /nfs/dbraw/zinc/94/87/73/945948773.db2.gz QRTHMBNSVRCOGC-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573463114 945948761 /nfs/dbraw/zinc/94/87/61/945948761.db2.gz QRTHMBNSVRCOGC-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573463129 945949333 /nfs/dbraw/zinc/94/93/33/945949333.db2.gz QYMDDRDSAACELF-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573463129 945949324 /nfs/dbraw/zinc/94/93/24/945949324.db2.gz QYMDDRDSAACELF-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573463137 945948491 /nfs/dbraw/zinc/94/84/91/945948491.db2.gz RCVNDTGIQSJEOT-LLVKDONJSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573463138 945948918 /nfs/dbraw/zinc/94/89/18/945948918.db2.gz RCVNDTGIQSJEOT-NSHDSACASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573463167 945951605 /nfs/dbraw/zinc/95/16/05/945951605.db2.gz RYMHGUDLQZVHNQ-LLVKDONJSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573463167 945951591 /nfs/dbraw/zinc/95/15/91/945951591.db2.gz RYMHGUDLQZVHNQ-LLVKDONJSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573463168 945952566 /nfs/dbraw/zinc/95/25/66/945952566.db2.gz RYMHGUDLQZVHNQ-NSHDSACASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573463168 945952557 /nfs/dbraw/zinc/95/25/57/945952557.db2.gz RYMHGUDLQZVHNQ-NSHDSACASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573463295 945955243 /nfs/dbraw/zinc/95/52/43/945955243.db2.gz UKFFEGJXZBYTQZ-LLVKDONJSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573463296 945953460 /nfs/dbraw/zinc/95/34/60/945953460.db2.gz UKFFEGJXZBYTQZ-NSHDSACASA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573463370 945953377 /nfs/dbraw/zinc/95/33/77/945953377.db2.gz VVVUGGFILSNARP-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573463370 945953371 /nfs/dbraw/zinc/95/33/71/945953371.db2.gz VVVUGGFILSNARP-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573463423 945956252 /nfs/dbraw/zinc/95/62/52/945956252.db2.gz WGXIVEYFOXODDW-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573463423 945956247 /nfs/dbraw/zinc/95/62/47/945956247.db2.gz WGXIVEYFOXODDW-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573463522 945956184 /nfs/dbraw/zinc/95/61/84/945956184.db2.gz YADMQWLFMJPZPM-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573463522 945956182 /nfs/dbraw/zinc/95/61/82/945956182.db2.gz YADMQWLFMJPZPM-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573463529 945956890 /nfs/dbraw/zinc/95/68/90/945956890.db2.gz YGPQHIOWFFTHBR-NEPJUHHUSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573463530 945956573 /nfs/dbraw/zinc/95/65/73/945956573.db2.gz YGPQHIOWFFTHBR-NWDGAFQWSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573463531 945956510 /nfs/dbraw/zinc/95/65/10/945956510.db2.gz YGPQHIOWFFTHBR-RYUDHWBXSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573463532 945956116 /nfs/dbraw/zinc/95/61/16/945956116.db2.gz YGPQHIOWFFTHBR-VXGBXAGGSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573463567 945959319 /nfs/dbraw/zinc/95/93/19/945959319.db2.gz YPKIABPESJEHRC-NEPJUHHUSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573463588 945958366 /nfs/dbraw/zinc/95/83/66/945958366.db2.gz YPKIABPESJEHRC-NWDGAFQWSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573463589 945959519 /nfs/dbraw/zinc/95/95/19/945959519.db2.gz YPKIABPESJEHRC-RYUDHWBXSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573463592 945959257 /nfs/dbraw/zinc/95/92/57/945959257.db2.gz YPKIABPESJEHRC-VXGBXAGGSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573463622 945959056 /nfs/dbraw/zinc/95/90/56/945959056.db2.gz YXRWFVABBWQUFP-CNDDSTCGSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573463753 945960741 /nfs/dbraw/zinc/96/07/41/945960741.db2.gz AIGAMJWBHIIGPF-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573463753 945960735 /nfs/dbraw/zinc/96/07/35/945960735.db2.gz AIGAMJWBHIIGPF-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001573463924 945964311 /nfs/dbraw/zinc/96/43/11/945964311.db2.gz DDLWSXPUJDRBBS-WZRBSPASSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001573463924 945964302 /nfs/dbraw/zinc/96/43/02/945964302.db2.gz DDLWSXPUJDRBBS-WZRBSPASSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573464162 945964008 /nfs/dbraw/zinc/96/40/08/945964008.db2.gz GUORRBVUVYOYON-WZRBSPASSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573464162 945963997 /nfs/dbraw/zinc/96/39/97/945963997.db2.gz GUORRBVUVYOYON-WZRBSPASSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573464571 945969055 /nfs/dbraw/zinc/96/90/55/945969055.db2.gz MZADHEHGAKXJNJ-GFCCVEGCSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573464588 945968667 /nfs/dbraw/zinc/96/86/67/945968667.db2.gz OADRCFTZTLRXDH-HAQNSBGRSA-N -1 1 387.448 -0.167 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573464793 945968895 /nfs/dbraw/zinc/96/88/95/945968895.db2.gz OOKQXFPGIFSVEY-UHFFFAOYSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573464793 945968889 /nfs/dbraw/zinc/96/88/89/945968889.db2.gz OOKQXFPGIFSVEY-UHFFFAOYSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573464813 945968058 /nfs/dbraw/zinc/96/80/58/945968058.db2.gz PNFNENGAWCBWLK-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573464813 945968055 /nfs/dbraw/zinc/96/80/55/945968055.db2.gz PNFNENGAWCBWLK-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573464817 945969569 /nfs/dbraw/zinc/96/95/69/945969569.db2.gz PNFNENGAWCBWLK-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573464817 945969554 /nfs/dbraw/zinc/96/95/54/945969554.db2.gz PNFNENGAWCBWLK-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573464826 945968849 /nfs/dbraw/zinc/96/88/49/945968849.db2.gz PTGGCYCRMUMEIZ-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573464826 945968839 /nfs/dbraw/zinc/96/88/39/945968839.db2.gz PTGGCYCRMUMEIZ-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573464828 945970163 /nfs/dbraw/zinc/97/01/63/945970163.db2.gz PTGGCYCRMUMEIZ-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573464828 945970152 /nfs/dbraw/zinc/97/01/52/945970152.db2.gz PTGGCYCRMUMEIZ-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573464857 945969203 /nfs/dbraw/zinc/96/92/03/945969203.db2.gz QMDOJLLKBGTMLE-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573464861 945970069 /nfs/dbraw/zinc/97/00/69/945970069.db2.gz QPFGBIPGUSJDPB-VXGBXAGGSA-N -1 1 387.448 -0.167 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001573464882 945969384 /nfs/dbraw/zinc/96/93/84/945969384.db2.gz QYMKCSOQKAPFDP-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001573464882 945969377 /nfs/dbraw/zinc/96/93/77/945969377.db2.gz QYMKCSOQKAPFDP-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001573464886 945968820 /nfs/dbraw/zinc/96/88/20/945968820.db2.gz RBKALLKZZYOECK-UTUOFQBUSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001573464886 945968809 /nfs/dbraw/zinc/96/88/09/945968809.db2.gz RBKALLKZZYOECK-UTUOFQBUSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573464912 945969464 /nfs/dbraw/zinc/96/94/64/945969464.db2.gz RPYINCGZKUBVSP-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573464912 945969454 /nfs/dbraw/zinc/96/94/54/945969454.db2.gz RPYINCGZKUBVSP-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573464916 945970051 /nfs/dbraw/zinc/97/00/51/945970051.db2.gz RPYINCGZKUBVSP-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573464916 945970041 /nfs/dbraw/zinc/97/00/41/945970041.db2.gz RPYINCGZKUBVSP-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573465219 945970847 /nfs/dbraw/zinc/97/08/47/945970847.db2.gz VVEGFWROYPHGAK-NOZJJQNGSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573465219 945970841 /nfs/dbraw/zinc/97/08/41/945970841.db2.gz VVEGFWROYPHGAK-NOZJJQNGSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573465240 945973410 /nfs/dbraw/zinc/97/34/10/945973410.db2.gz WTWXBNPTWLZUOT-RTXFEEFZSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573465240 945973405 /nfs/dbraw/zinc/97/34/05/945973405.db2.gz WTWXBNPTWLZUOT-RTXFEEFZSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573465251 945973907 /nfs/dbraw/zinc/97/39/07/945973907.db2.gz WYRLXJRCOQOYSK-UTUOFQBUSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573465271 945973629 /nfs/dbraw/zinc/97/36/29/945973629.db2.gz XFYRDWHMCGNLAV-PWSUYJOCSA-N -1 1 387.448 -0.037 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573465271 945973627 /nfs/dbraw/zinc/97/36/27/945973627.db2.gz XFYRDWHMCGNLAV-PWSUYJOCSA-N -1 1 387.448 -0.037 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573465277 945974174 /nfs/dbraw/zinc/97/41/74/945974174.db2.gz XFYYGSMWCSXPGX-UHFFFAOYSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001573465365 945974216 /nfs/dbraw/zinc/97/42/16/945974216.db2.gz YGORQLHQFOFQAR-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001573465365 945974204 /nfs/dbraw/zinc/97/42/04/945974204.db2.gz YGORQLHQFOFQAR-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573465506 945973447 /nfs/dbraw/zinc/97/34/47/945973447.db2.gz ZZIQHSDSWZLCQS-NWDGAFQWSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573467320 945977003 /nfs/dbraw/zinc/97/70/03/945977003.db2.gz BPJKWPYSIFUYBN-LLVKDONJSA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573467320 945976992 /nfs/dbraw/zinc/97/69/92/945976992.db2.gz BPJKWPYSIFUYBN-LLVKDONJSA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573467321 945977601 /nfs/dbraw/zinc/97/76/01/945977601.db2.gz BPJKWPYSIFUYBN-NSHDSACASA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573467321 945977595 /nfs/dbraw/zinc/97/75/95/945977595.db2.gz BPJKWPYSIFUYBN-NSHDSACASA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001573467398 945979274 /nfs/dbraw/zinc/97/92/74/945979274.db2.gz DDLWSXPUJDRBBS-MDZLAQPJSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001573467398 945979268 /nfs/dbraw/zinc/97/92/68/945979268.db2.gz DDLWSXPUJDRBBS-MDZLAQPJSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573467557 945982224 /nfs/dbraw/zinc/98/22/24/945982224.db2.gz FDVOUXQGJKYMHT-PKSQDBQZSA-N -1 1 387.448 -0.215 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573467558 945981766 /nfs/dbraw/zinc/98/17/66/945981766.db2.gz FDVOUXQGJKYMHT-QFWMXSHPSA-N -1 1 387.448 -0.215 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573467636 945984259 /nfs/dbraw/zinc/98/42/59/945984259.db2.gz GUORRBVUVYOYON-MDZLAQPJSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573467636 945984251 /nfs/dbraw/zinc/98/42/51/945984251.db2.gz GUORRBVUVYOYON-MDZLAQPJSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573468142 945990690 /nfs/dbraw/zinc/99/06/90/945990690.db2.gz LCYRSTQGIVJGNO-SECBINFHSA-N -1 1 382.450 -0.611 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573468143 945990201 /nfs/dbraw/zinc/99/02/01/945990201.db2.gz LCYRSTQGIVJGNO-VIFPVBQESA-N -1 1 382.450 -0.611 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573468385 945994895 /nfs/dbraw/zinc/99/48/95/945994895.db2.gz NOBYKHZMMXTYCN-LLVKDONJSA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573468385 945994885 /nfs/dbraw/zinc/99/48/85/945994885.db2.gz NOBYKHZMMXTYCN-LLVKDONJSA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573468386 945996334 /nfs/dbraw/zinc/99/63/34/945996334.db2.gz NOBYKHZMMXTYCN-NSHDSACASA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573468386 945996331 /nfs/dbraw/zinc/99/63/31/945996331.db2.gz NOBYKHZMMXTYCN-NSHDSACASA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573468545 945994679 /nfs/dbraw/zinc/99/46/79/945994679.db2.gz OYGLZGFVKJWNOL-LLVKDONJSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573468545 945994670 /nfs/dbraw/zinc/99/46/70/945994670.db2.gz OYGLZGFVKJWNOL-LLVKDONJSA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573468546 945995436 /nfs/dbraw/zinc/99/54/36/945995436.db2.gz OYGLZGFVKJWNOL-NSHDSACASA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573468546 945995428 /nfs/dbraw/zinc/99/54/28/945995428.db2.gz OYGLZGFVKJWNOL-NSHDSACASA-N -1 1 387.448 -0.083 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001573468876 946001175 /nfs/dbraw/zinc/00/11/75/946001175.db2.gz RBKALLKZZYOECK-WOPDTQHZSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001573468876 946001163 /nfs/dbraw/zinc/00/11/63/946001163.db2.gz RBKALLKZZYOECK-WOPDTQHZSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573469156 946001819 /nfs/dbraw/zinc/00/18/19/946001819.db2.gz SGKSFPDDNCGHBU-LLVKDONJSA-N -1 1 375.437 -0.226 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573469156 946001806 /nfs/dbraw/zinc/00/18/06/946001806.db2.gz SGKSFPDDNCGHBU-LLVKDONJSA-N -1 1 375.437 -0.226 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573469158 946003829 /nfs/dbraw/zinc/00/38/29/946003829.db2.gz SGKSFPDDNCGHBU-NSHDSACASA-N -1 1 375.437 -0.226 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573469158 946003819 /nfs/dbraw/zinc/00/38/19/946003819.db2.gz SGKSFPDDNCGHBU-NSHDSACASA-N -1 1 375.437 -0.226 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(C)CCOCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573469370 946005594 /nfs/dbraw/zinc/00/55/94/946005594.db2.gz URAIOIIMSUKBHB-JTQLQIEISA-N -1 1 377.409 -0.932 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(C)CCOCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573469370 946005586 /nfs/dbraw/zinc/00/55/86/946005586.db2.gz URAIOIIMSUKBHB-JTQLQIEISA-N -1 1 377.409 -0.932 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(C)CCOCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573469371 946005136 /nfs/dbraw/zinc/00/51/36/946005136.db2.gz URAIOIIMSUKBHB-SNVBAGLBSA-N -1 1 377.409 -0.932 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(C)CCOCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573469371 946005125 /nfs/dbraw/zinc/00/51/25/946005125.db2.gz URAIOIIMSUKBHB-SNVBAGLBSA-N -1 1 377.409 -0.932 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573469373 946006320 /nfs/dbraw/zinc/00/63/20/946006320.db2.gz 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CC(=O)N[C@H](C)C(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573469689 946008871 /nfs/dbraw/zinc/00/88/71/946008871.db2.gz WNOYCWSVKPPIAQ-LLVKDONJSA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573469689 946008860 /nfs/dbraw/zinc/00/88/60/946008860.db2.gz WNOYCWSVKPPIAQ-LLVKDONJSA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573469690 946008060 /nfs/dbraw/zinc/00/80/60/946008060.db2.gz WNOYCWSVKPPIAQ-NSHDSACASA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573469690 946008050 /nfs/dbraw/zinc/00/80/50/946008050.db2.gz WNOYCWSVKPPIAQ-NSHDSACASA-N -1 1 375.437 -0.146 20 0 GBADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573469694 946008236 /nfs/dbraw/zinc/00/82/36/946008236.db2.gz WTWXBNPTWLZUOT-WXHSDQCUSA-N -1 1 385.432 -0.203 20 0 GBADMM 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CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573471902 946057151 /nfs/dbraw/zinc/05/71/51/946057151.db2.gz RTYVHKWYBWYELB-WCFLWFBJSA-N -1 1 385.432 -0.249 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573472206 946062743 /nfs/dbraw/zinc/06/27/43/946062743.db2.gz UTZZILOVYHVJTQ-RTXFEEFZSA-N -1 1 385.432 -0.249 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573472206 946062731 /nfs/dbraw/zinc/06/27/31/946062731.db2.gz UTZZILOVYHVJTQ-RTXFEEFZSA-N -1 1 385.432 -0.249 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573472207 946061291 /nfs/dbraw/zinc/06/12/91/946061291.db2.gz UTZZILOVYHVJTQ-UHTWSYAYSA-N -1 1 385.432 -0.249 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573472207 946061278 /nfs/dbraw/zinc/06/12/78/946061278.db2.gz UTZZILOVYHVJTQ-UHTWSYAYSA-N -1 1 385.432 -0.249 20 0 GBADMM 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CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573472368 946064765 /nfs/dbraw/zinc/06/47/65/946064765.db2.gz VTSLUXYQOKTXSM-WCQYABFASA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573472369 946064340 /nfs/dbraw/zinc/06/43/40/946064340.db2.gz VTSLUXYQOKTXSM-YPMHNXCESA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573472369 946064328 /nfs/dbraw/zinc/06/43/28/946064328.db2.gz VTSLUXYQOKTXSM-YPMHNXCESA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573472988 946072985 /nfs/dbraw/zinc/07/29/85/946072985.db2.gz YSAGZBPJFWXCOW-APPDUMDISA-N -1 1 385.432 -0.390 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573472988 946072972 /nfs/dbraw/zinc/07/29/72/946072972.db2.gz YSAGZBPJFWXCOW-APPDUMDISA-N -1 1 385.432 -0.390 20 0 GBADMM 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CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573476142 946113270 /nfs/dbraw/zinc/11/32/70/946113270.db2.gz ZZFWKGKXDLQTFL-DGCLKSJQSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573476142 946113264 /nfs/dbraw/zinc/11/32/64/946113264.db2.gz ZZFWKGKXDLQTFL-DGCLKSJQSA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573476146 946113958 /nfs/dbraw/zinc/11/39/58/946113958.db2.gz ZZFWKGKXDLQTFL-WCQYABFASA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573476146 946113952 /nfs/dbraw/zinc/11/39/52/946113952.db2.gz ZZFWKGKXDLQTFL-WCQYABFASA-N -1 1 387.448 -0.001 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573476191 946115320 /nfs/dbraw/zinc/11/53/20/946115320.db2.gz DEDBDFUAZSPBCZ-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573476191 946115314 /nfs/dbraw/zinc/11/53/14/946115314.db2.gz DEDBDFUAZSPBCZ-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573476192 946116417 /nfs/dbraw/zinc/11/64/17/946116417.db2.gz DEDBDFUAZSPBCZ-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573476192 946116408 /nfs/dbraw/zinc/11/64/08/946116408.db2.gz DEDBDFUAZSPBCZ-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573476217 946117004 /nfs/dbraw/zinc/11/70/04/946117004.db2.gz DYYVZIVAFFZOEF-GWCFXTLKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573476217 946117001 /nfs/dbraw/zinc/11/70/01/946117001.db2.gz DYYVZIVAFFZOEF-GWCFXTLKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573476218 946116244 /nfs/dbraw/zinc/11/62/44/946116244.db2.gz DYYVZIVAFFZOEF-GXFFZTMASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573476218 946116241 /nfs/dbraw/zinc/11/62/41/946116241.db2.gz DYYVZIVAFFZOEF-GXFFZTMASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573476219 946115423 /nfs/dbraw/zinc/11/54/23/946115423.db2.gz DYYVZIVAFFZOEF-MFKMUULPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573476219 946115418 /nfs/dbraw/zinc/11/54/18/946115418.db2.gz DYYVZIVAFFZOEF-MFKMUULPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573476220 946116289 /nfs/dbraw/zinc/11/62/89/946116289.db2.gz DYYVZIVAFFZOEF-ZWNOBZJWSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573476220 946116279 /nfs/dbraw/zinc/11/62/79/946116279.db2.gz DYYVZIVAFFZOEF-ZWNOBZJWSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573476355 946115336 /nfs/dbraw/zinc/11/53/36/946115336.db2.gz FTOGNIVQQXINML-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573476356 946117060 /nfs/dbraw/zinc/11/70/60/946117060.db2.gz FTOGNIVQQXINML-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573476395 946118083 /nfs/dbraw/zinc/11/80/83/946118083.db2.gz GKJHDTUQHYDXOM-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573476395 946118074 /nfs/dbraw/zinc/11/80/74/946118074.db2.gz GKJHDTUQHYDXOM-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573476396 946119164 /nfs/dbraw/zinc/11/91/64/946119164.db2.gz GKJHDTUQHYDXOM-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573476396 946119160 /nfs/dbraw/zinc/11/91/60/946119160.db2.gz GKJHDTUQHYDXOM-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573476536 946122193 /nfs/dbraw/zinc/12/21/93/946122193.db2.gz HTHOGLHBLBRSDM-CMPLNLGQSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573476536 946122182 /nfs/dbraw/zinc/12/21/82/946122182.db2.gz HTHOGLHBLBRSDM-CMPLNLGQSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573476538 946121932 /nfs/dbraw/zinc/12/19/32/946121932.db2.gz HTHOGLHBLBRSDM-JQWIXIFHSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573476538 946121925 /nfs/dbraw/zinc/12/19/25/946121925.db2.gz HTHOGLHBLBRSDM-JQWIXIFHSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573476539 946120060 /nfs/dbraw/zinc/12/00/60/946120060.db2.gz HTHOGLHBLBRSDM-PWSUYJOCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573476539 946120049 /nfs/dbraw/zinc/12/00/49/946120049.db2.gz HTHOGLHBLBRSDM-PWSUYJOCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573476540 946120338 /nfs/dbraw/zinc/12/03/38/946120338.db2.gz HTHOGLHBLBRSDM-ZYHUDNBSSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573476540 946120327 /nfs/dbraw/zinc/12/03/27/946120327.db2.gz HTHOGLHBLBRSDM-ZYHUDNBSSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573476565 946120601 /nfs/dbraw/zinc/12/06/01/946120601.db2.gz HYVZAWSRSPXTKJ-AAEUAGOBSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573476565 946120592 /nfs/dbraw/zinc/12/05/92/946120592.db2.gz HYVZAWSRSPXTKJ-AAEUAGOBSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573476566 946120244 /nfs/dbraw/zinc/12/02/44/946120244.db2.gz HYVZAWSRSPXTKJ-DGCLKSJQSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573476566 946120228 /nfs/dbraw/zinc/12/02/28/946120228.db2.gz HYVZAWSRSPXTKJ-DGCLKSJQSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573476567 946121526 /nfs/dbraw/zinc/12/15/26/946121526.db2.gz HYVZAWSRSPXTKJ-WCQYABFASA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573476567 946121514 /nfs/dbraw/zinc/12/15/14/946121514.db2.gz HYVZAWSRSPXTKJ-WCQYABFASA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573476568 946121037 /nfs/dbraw/zinc/12/10/37/946121037.db2.gz HYVZAWSRSPXTKJ-YPMHNXCESA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573476568 946121026 /nfs/dbraw/zinc/12/10/26/946121026.db2.gz HYVZAWSRSPXTKJ-YPMHNXCESA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573476679 946123794 /nfs/dbraw/zinc/12/37/94/946123794.db2.gz IVSYZNKLMIBEKW-HSOHIQCKSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573476680 946123835 /nfs/dbraw/zinc/12/38/35/946123835.db2.gz IVSYZNKLMIBEKW-ILMHXZGMSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573476681 946124079 /nfs/dbraw/zinc/12/40/79/946124079.db2.gz IVSYZNKLMIBEKW-MOCULFSLSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573476682 946122763 /nfs/dbraw/zinc/12/27/63/946122763.db2.gz IVSYZNKLMIBEKW-YOIRWDDOSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573476905 946128383 /nfs/dbraw/zinc/12/83/83/946128383.db2.gz KZCWHUQFWWHCKB-ANTHHZPCSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573476905 946128381 /nfs/dbraw/zinc/12/83/81/946128381.db2.gz KZCWHUQFWWHCKB-ANTHHZPCSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573476906 946128585 /nfs/dbraw/zinc/12/85/85/946128585.db2.gz KZCWHUQFWWHCKB-JUKMUDQWSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573476906 946128581 /nfs/dbraw/zinc/12/85/81/946128581.db2.gz KZCWHUQFWWHCKB-JUKMUDQWSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573476907 946128203 /nfs/dbraw/zinc/12/82/03/946128203.db2.gz KZCWHUQFWWHCKB-OMXAPOSASA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573476907 946128200 /nfs/dbraw/zinc/12/82/00/946128200.db2.gz KZCWHUQFWWHCKB-OMXAPOSASA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573476908 946128552 /nfs/dbraw/zinc/12/85/52/946128552.db2.gz KZCWHUQFWWHCKB-PGQWDYDZSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573476908 946128549 /nfs/dbraw/zinc/12/85/49/946128549.db2.gz KZCWHUQFWWHCKB-PGQWDYDZSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573477077 946129481 /nfs/dbraw/zinc/12/94/81/946129481.db2.gz MMYFIGSDANRAKT-AMWJZZMOSA-N -1 1 385.432 -0.558 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573477078 946130783 /nfs/dbraw/zinc/13/07/83/946130783.db2.gz MMYFIGSDANRAKT-JHVJFKRDSA-N -1 1 385.432 -0.558 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573477301 946133106 /nfs/dbraw/zinc/13/31/06/946133106.db2.gz OFXGEONZYQFFQL-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573477301 946133103 /nfs/dbraw/zinc/13/31/03/946133103.db2.gz OFXGEONZYQFFQL-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573477302 946133122 /nfs/dbraw/zinc/13/31/22/946133122.db2.gz OFXGEONZYQFFQL-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573477302 946133119 /nfs/dbraw/zinc/13/31/19/946133119.db2.gz OFXGEONZYQFFQL-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477313 946131584 /nfs/dbraw/zinc/13/15/84/946131584.db2.gz ONYOXEWORWPTOJ-GWCFXTLKSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573477313 946131578 /nfs/dbraw/zinc/13/15/78/946131578.db2.gz ONYOXEWORWPTOJ-GWCFXTLKSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477314 946132603 /nfs/dbraw/zinc/13/26/03/946132603.db2.gz ONYOXEWORWPTOJ-GXFFZTMASA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573477314 946132594 /nfs/dbraw/zinc/13/25/94/946132594.db2.gz ONYOXEWORWPTOJ-GXFFZTMASA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477315 946131474 /nfs/dbraw/zinc/13/14/74/946131474.db2.gz ONYOXEWORWPTOJ-MFKMUULPSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573477315 946131468 /nfs/dbraw/zinc/13/14/68/946131468.db2.gz ONYOXEWORWPTOJ-MFKMUULPSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477316 946132935 /nfs/dbraw/zinc/13/29/35/946132935.db2.gz ONYOXEWORWPTOJ-ZWNOBZJWSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573477316 946132930 /nfs/dbraw/zinc/13/29/30/946132930.db2.gz ONYOXEWORWPTOJ-ZWNOBZJWSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573477373 946134496 /nfs/dbraw/zinc/13/44/96/946134496.db2.gz PJDMSQDPPFDJGQ-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573477374 946133749 /nfs/dbraw/zinc/13/37/49/946133749.db2.gz PJDMSQDPPFDJGQ-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573477375 946134751 /nfs/dbraw/zinc/13/47/51/946134751.db2.gz PJDMSQDPPFDJGQ-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573477376 946135131 /nfs/dbraw/zinc/13/51/31/946135131.db2.gz PJDMSQDPPFDJGQ-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477435 946136198 /nfs/dbraw/zinc/13/61/98/946136198.db2.gz QTRHMQXQKYHKLR-CMPLNLGQSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477436 946137456 /nfs/dbraw/zinc/13/74/56/946137456.db2.gz QTRHMQXQKYHKLR-JQWIXIFHSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477437 946136643 /nfs/dbraw/zinc/13/66/43/946136643.db2.gz QTRHMQXQKYHKLR-PWSUYJOCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477438 946136466 /nfs/dbraw/zinc/13/64/66/946136466.db2.gz QTRHMQXQKYHKLR-ZYHUDNBSSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573477489 946136321 /nfs/dbraw/zinc/13/63/21/946136321.db2.gz RHNRTIRNTBTOGL-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573477489 946136313 /nfs/dbraw/zinc/13/63/13/946136313.db2.gz RHNRTIRNTBTOGL-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573477490 946136601 /nfs/dbraw/zinc/13/66/01/946136601.db2.gz RHNRTIRNTBTOGL-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573477490 946136591 /nfs/dbraw/zinc/13/65/91/946136591.db2.gz RHNRTIRNTBTOGL-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573477491 946137201 /nfs/dbraw/zinc/13/72/01/946137201.db2.gz RIEHZTXSRMQISW-GWCFXTLKSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573477491 946137196 /nfs/dbraw/zinc/13/71/96/946137196.db2.gz RIEHZTXSRMQISW-GWCFXTLKSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573477492 946137253 /nfs/dbraw/zinc/13/72/53/946137253.db2.gz RIEHZTXSRMQISW-GXFFZTMASA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573477492 946137251 /nfs/dbraw/zinc/13/72/51/946137251.db2.gz RIEHZTXSRMQISW-GXFFZTMASA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573477493 946136248 /nfs/dbraw/zinc/13/62/48/946136248.db2.gz RIEHZTXSRMQISW-MFKMUULPSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573477493 946136242 /nfs/dbraw/zinc/13/62/42/946136242.db2.gz RIEHZTXSRMQISW-MFKMUULPSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573477494 946137132 /nfs/dbraw/zinc/13/71/32/946137132.db2.gz RIEHZTXSRMQISW-ZWNOBZJWSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573477494 946137125 /nfs/dbraw/zinc/13/71/25/946137125.db2.gz RIEHZTXSRMQISW-ZWNOBZJWSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573477495 946136348 /nfs/dbraw/zinc/13/63/48/946136348.db2.gz RITVQBDAOPUANY-GWCFXTLKSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573477495 946136340 /nfs/dbraw/zinc/13/63/40/946136340.db2.gz RITVQBDAOPUANY-GWCFXTLKSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573477496 946136802 /nfs/dbraw/zinc/13/68/02/946136802.db2.gz RITVQBDAOPUANY-GXFFZTMASA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573477496 946136796 /nfs/dbraw/zinc/13/67/96/946136796.db2.gz RITVQBDAOPUANY-GXFFZTMASA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573477497 946137220 /nfs/dbraw/zinc/13/72/20/946137220.db2.gz RITVQBDAOPUANY-MFKMUULPSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573477497 946137214 /nfs/dbraw/zinc/13/72/14/946137214.db2.gz RITVQBDAOPUANY-MFKMUULPSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573477498 946137171 /nfs/dbraw/zinc/13/71/71/946137171.db2.gz RITVQBDAOPUANY-ZWNOBZJWSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573477498 946137168 /nfs/dbraw/zinc/13/71/68/946137168.db2.gz RITVQBDAOPUANY-ZWNOBZJWSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573477521 946139210 /nfs/dbraw/zinc/13/92/10/946139210.db2.gz RNMQNEYFHKHUSQ-GWCFXTLKSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573477521 946139205 /nfs/dbraw/zinc/13/92/05/946139205.db2.gz RNMQNEYFHKHUSQ-GWCFXTLKSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573477522 946139464 /nfs/dbraw/zinc/13/94/64/946139464.db2.gz RNMQNEYFHKHUSQ-GXFFZTMASA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573477522 946139462 /nfs/dbraw/zinc/13/94/62/946139462.db2.gz RNMQNEYFHKHUSQ-GXFFZTMASA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573477523 946139323 /nfs/dbraw/zinc/13/93/23/946139323.db2.gz RNMQNEYFHKHUSQ-MFKMUULPSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573477523 946139318 /nfs/dbraw/zinc/13/93/18/946139318.db2.gz RNMQNEYFHKHUSQ-MFKMUULPSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573477524 946138672 /nfs/dbraw/zinc/13/86/72/946138672.db2.gz RNMQNEYFHKHUSQ-ZWNOBZJWSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573477524 946138661 /nfs/dbraw/zinc/13/86/61/946138661.db2.gz RNMQNEYFHKHUSQ-ZWNOBZJWSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573477561 946138893 /nfs/dbraw/zinc/13/88/93/946138893.db2.gz RSARNRMIBAFFRJ-GWCFXTLKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573477561 946138886 /nfs/dbraw/zinc/13/88/86/946138886.db2.gz RSARNRMIBAFFRJ-GWCFXTLKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573477562 946139485 /nfs/dbraw/zinc/13/94/85/946139485.db2.gz RSARNRMIBAFFRJ-GXFFZTMASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573477562 946139483 /nfs/dbraw/zinc/13/94/83/946139483.db2.gz RSARNRMIBAFFRJ-GXFFZTMASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573477563 946138396 /nfs/dbraw/zinc/13/83/96/946138396.db2.gz RSARNRMIBAFFRJ-MFKMUULPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573477563 946138388 /nfs/dbraw/zinc/13/83/88/946138388.db2.gz RSARNRMIBAFFRJ-MFKMUULPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573477564 946139108 /nfs/dbraw/zinc/13/91/08/946139108.db2.gz RSARNRMIBAFFRJ-ZWNOBZJWSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573477564 946139104 /nfs/dbraw/zinc/13/91/04/946139104.db2.gz RSARNRMIBAFFRJ-ZWNOBZJWSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477577 946139541 /nfs/dbraw/zinc/13/95/41/946139541.db2.gz SCYVAPPWIHKSCU-GWCFXTLKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573477577 946139540 /nfs/dbraw/zinc/13/95/40/946139540.db2.gz SCYVAPPWIHKSCU-GWCFXTLKSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477578 946139290 /nfs/dbraw/zinc/13/92/90/946139290.db2.gz SCYVAPPWIHKSCU-GXFFZTMASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573477578 946139286 /nfs/dbraw/zinc/13/92/86/946139286.db2.gz SCYVAPPWIHKSCU-GXFFZTMASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477579 946139438 /nfs/dbraw/zinc/13/94/38/946139438.db2.gz SCYVAPPWIHKSCU-MFKMUULPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573477579 946139433 /nfs/dbraw/zinc/13/94/33/946139433.db2.gz SCYVAPPWIHKSCU-MFKMUULPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573477580 946139272 /nfs/dbraw/zinc/13/92/72/946139272.db2.gz SCYVAPPWIHKSCU-ZWNOBZJWSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573477580 946139269 /nfs/dbraw/zinc/13/92/69/946139269.db2.gz SCYVAPPWIHKSCU-ZWNOBZJWSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573477593 946140731 /nfs/dbraw/zinc/14/07/31/946140731.db2.gz SISACVROBRXIPA-LLVKDONJSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573477593 946140723 /nfs/dbraw/zinc/14/07/23/946140723.db2.gz SISACVROBRXIPA-LLVKDONJSA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573477594 946140624 /nfs/dbraw/zinc/14/06/24/946140624.db2.gz SISACVROBRXIPA-NSHDSACASA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573477594 946140616 /nfs/dbraw/zinc/14/06/16/946140616.db2.gz SISACVROBRXIPA-NSHDSACASA-N -1 1 387.448 -0.035 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573477917 946144073 /nfs/dbraw/zinc/14/40/73/946144073.db2.gz VGZYOBSEDUGSMA-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573477917 946144067 /nfs/dbraw/zinc/14/40/67/946144067.db2.gz VGZYOBSEDUGSMA-NSNUZPRRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573477919 946143526 /nfs/dbraw/zinc/14/35/26/946143526.db2.gz VGZYOBSEDUGSMA-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573477919 946143518 /nfs/dbraw/zinc/14/35/18/946143518.db2.gz VGZYOBSEDUGSMA-SMHCIBLRSA-N -1 1 385.432 -0.203 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573478271 946146240 /nfs/dbraw/zinc/14/62/40/946146240.db2.gz WFABTPDARBZVLW-HSOHIQCKSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573478271 946146235 /nfs/dbraw/zinc/14/62/35/946146235.db2.gz WFABTPDARBZVLW-HSOHIQCKSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573478274 946145960 /nfs/dbraw/zinc/14/59/60/946145960.db2.gz WFABTPDARBZVLW-ILMHXZGMSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573478274 946145953 /nfs/dbraw/zinc/14/59/53/946145953.db2.gz WFABTPDARBZVLW-ILMHXZGMSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573478276 946146197 /nfs/dbraw/zinc/14/61/97/946146197.db2.gz WFABTPDARBZVLW-MOCULFSLSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573478276 946146194 /nfs/dbraw/zinc/14/61/94/946146194.db2.gz WFABTPDARBZVLW-MOCULFSLSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573478279 946145608 /nfs/dbraw/zinc/14/56/08/946145608.db2.gz WFABTPDARBZVLW-YOIRWDDOSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573478279 946145603 /nfs/dbraw/zinc/14/56/03/946145603.db2.gz WFABTPDARBZVLW-YOIRWDDOSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573478312 946148200 /nfs/dbraw/zinc/14/82/00/946148200.db2.gz WLKNCRHUAVHZCZ-LLVKDONJSA-N -1 1 387.448 -0.166 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573478313 946147477 /nfs/dbraw/zinc/14/74/77/946147477.db2.gz WLKNCRHUAVHZCZ-NSHDSACASA-N -1 1 387.448 -0.166 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573478750 946150114 /nfs/dbraw/zinc/15/01/14/946150114.db2.gz YFPRNBPXINHZJY-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573478750 946150102 /nfs/dbraw/zinc/15/01/02/946150102.db2.gz YFPRNBPXINHZJY-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573478752 946149316 /nfs/dbraw/zinc/14/93/16/946149316.db2.gz YFPRNBPXINHZJY-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573478752 946149307 /nfs/dbraw/zinc/14/93/07/946149307.db2.gz YFPRNBPXINHZJY-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573478793 946151656 /nfs/dbraw/zinc/15/16/56/946151656.db2.gz YSABZPDIGDFMGU-ANTHHZPCSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573478793 946151645 /nfs/dbraw/zinc/15/16/45/946151645.db2.gz YSABZPDIGDFMGU-ANTHHZPCSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573478795 946152943 /nfs/dbraw/zinc/15/29/43/946152943.db2.gz YSABZPDIGDFMGU-JUKMUDQWSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573478795 946152932 /nfs/dbraw/zinc/15/29/32/946152932.db2.gz YSABZPDIGDFMGU-JUKMUDQWSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573478797 946151870 /nfs/dbraw/zinc/15/18/70/946151870.db2.gz YSABZPDIGDFMGU-OMXAPOSASA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573478797 946151867 /nfs/dbraw/zinc/15/18/67/946151867.db2.gz YSABZPDIGDFMGU-OMXAPOSASA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573478799 946152917 /nfs/dbraw/zinc/15/29/17/946152917.db2.gz YSABZPDIGDFMGU-PGQWDYDZSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573478799 946152912 /nfs/dbraw/zinc/15/29/12/946152912.db2.gz YSABZPDIGDFMGU-PGQWDYDZSA-N -1 1 385.432 -0.201 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573478839 946153048 /nfs/dbraw/zinc/15/30/48/946153048.db2.gz YYOVBLPLODGUTJ-GWCFXTLKSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573478842 946152273 /nfs/dbraw/zinc/15/22/73/946152273.db2.gz YYOVBLPLODGUTJ-GXFFZTMASA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573478844 946151834 /nfs/dbraw/zinc/15/18/34/946151834.db2.gz YYOVBLPLODGUTJ-MFKMUULPSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573478846 946152628 /nfs/dbraw/zinc/15/26/28/946152628.db2.gz YYOVBLPLODGUTJ-ZWNOBZJWSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573478949 946152997 /nfs/dbraw/zinc/15/29/97/946152997.db2.gz ZKYHZRHBIGDYED-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573478949 946152995 /nfs/dbraw/zinc/15/29/95/946152995.db2.gz ZKYHZRHBIGDYED-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573478950 946151902 /nfs/dbraw/zinc/15/19/02/946151902.db2.gz ZKYHZRHBIGDYED-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573478950 946151892 /nfs/dbraw/zinc/15/18/92/946151892.db2.gz ZKYHZRHBIGDYED-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573478951 946152974 /nfs/dbraw/zinc/15/29/74/946152974.db2.gz ZKYHZRHBIGDYED-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573478951 946152968 /nfs/dbraw/zinc/15/29/68/946152968.db2.gz ZKYHZRHBIGDYED-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573478952 946154485 /nfs/dbraw/zinc/15/44/85/946154485.db2.gz ZKYHZRHBIGDYED-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573478952 946154480 /nfs/dbraw/zinc/15/44/80/946154480.db2.gz ZKYHZRHBIGDYED-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573479184 946154784 /nfs/dbraw/zinc/15/47/84/946154784.db2.gz AEVRMORRHLQALJ-JHEVNIALSA-N -1 1 385.432 -0.712 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573479184 946154778 /nfs/dbraw/zinc/15/47/78/946154778.db2.gz AEVRMORRHLQALJ-JHEVNIALSA-N -1 1 385.432 -0.712 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573479187 946154655 /nfs/dbraw/zinc/15/46/55/946154655.db2.gz AEVRMORRHLQALJ-XYJRDEOASA-N -1 1 385.432 -0.712 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573479187 946154648 /nfs/dbraw/zinc/15/46/48/946154648.db2.gz AEVRMORRHLQALJ-XYJRDEOASA-N -1 1 385.432 -0.712 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573479231 946154163 /nfs/dbraw/zinc/15/41/63/946154163.db2.gz ASOOWSPCAXUUEY-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573479231 946154158 /nfs/dbraw/zinc/15/41/58/946154158.db2.gz ASOOWSPCAXUUEY-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573479232 946156379 /nfs/dbraw/zinc/15/63/79/946156379.db2.gz ASOOWSPCAXUUEY-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573479232 946156371 /nfs/dbraw/zinc/15/63/71/946156371.db2.gz ASOOWSPCAXUUEY-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573479283 946156352 /nfs/dbraw/zinc/15/63/52/946156352.db2.gz BTHFYBVDZHIERR-APPDUMDISA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573479283 946156345 /nfs/dbraw/zinc/15/63/45/946156345.db2.gz BTHFYBVDZHIERR-APPDUMDISA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573479284 946156584 /nfs/dbraw/zinc/15/65/84/946156584.db2.gz BTHFYBVDZHIERR-DIFFPNOSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573479284 946156576 /nfs/dbraw/zinc/15/65/76/946156576.db2.gz BTHFYBVDZHIERR-DIFFPNOSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573479285 946157288 /nfs/dbraw/zinc/15/72/88/946157288.db2.gz BTHFYBVDZHIERR-GTNSWQLSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573479285 946157283 /nfs/dbraw/zinc/15/72/83/946157283.db2.gz BTHFYBVDZHIERR-GTNSWQLSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573479286 946156918 /nfs/dbraw/zinc/15/69/18/946156918.db2.gz BTHFYBVDZHIERR-PIGZYNQJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573479286 946156909 /nfs/dbraw/zinc/15/69/09/946156909.db2.gz BTHFYBVDZHIERR-PIGZYNQJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573479618 946166613 /nfs/dbraw/zinc/16/66/13/946166613.db2.gz GGNFWBARBMPAMQ-CAHLUQPWSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573479618 946166606 /nfs/dbraw/zinc/16/66/06/946166606.db2.gz GGNFWBARBMPAMQ-CAHLUQPWSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573479619 946166009 /nfs/dbraw/zinc/16/60/09/946166009.db2.gz GGNFWBARBMPAMQ-FSPLSTOPSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573479619 946166000 /nfs/dbraw/zinc/16/60/00/946166000.db2.gz GGNFWBARBMPAMQ-FSPLSTOPSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573479620 946165853 /nfs/dbraw/zinc/16/58/53/946165853.db2.gz GGNFWBARBMPAMQ-IYSWYEEDSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573479620 946165847 /nfs/dbraw/zinc/16/58/47/946165847.db2.gz GGNFWBARBMPAMQ-IYSWYEEDSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573479621 946166484 /nfs/dbraw/zinc/16/64/84/946166484.db2.gz GGNFWBARBMPAMQ-VDTYLAMSSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573479621 946166474 /nfs/dbraw/zinc/16/64/74/946166474.db2.gz GGNFWBARBMPAMQ-VDTYLAMSSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573479802 946168386 /nfs/dbraw/zinc/16/83/86/946168386.db2.gz HMDRPXJRZGUIDD-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573479802 946168379 /nfs/dbraw/zinc/16/83/79/946168379.db2.gz HMDRPXJRZGUIDD-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573479803 946168864 /nfs/dbraw/zinc/16/88/64/946168864.db2.gz HMDRPXJRZGUIDD-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573479803 946168857 /nfs/dbraw/zinc/16/88/57/946168857.db2.gz HMDRPXJRZGUIDD-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573480020 946169897 /nfs/dbraw/zinc/16/98/97/946169897.db2.gz JHYLPEXSHIDQKG-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573480020 946169889 /nfs/dbraw/zinc/16/98/89/946169889.db2.gz JHYLPEXSHIDQKG-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573480021 946170427 /nfs/dbraw/zinc/17/04/27/946170427.db2.gz JHYLPEXSHIDQKG-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573480021 946170419 /nfs/dbraw/zinc/17/04/19/946170419.db2.gz JHYLPEXSHIDQKG-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573480950 946178477 /nfs/dbraw/zinc/17/84/77/946178477.db2.gz MWPZEGRTLGCMGT-CAHLUQPWSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573480950 946178471 /nfs/dbraw/zinc/17/84/71/946178471.db2.gz MWPZEGRTLGCMGT-CAHLUQPWSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573480952 946177651 /nfs/dbraw/zinc/17/76/51/946177651.db2.gz MWPZEGRTLGCMGT-FSPLSTOPSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573480952 946177642 /nfs/dbraw/zinc/17/76/42/946177642.db2.gz MWPZEGRTLGCMGT-FSPLSTOPSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573480954 946177116 /nfs/dbraw/zinc/17/71/16/946177116.db2.gz MWPZEGRTLGCMGT-IYSWYEEDSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573480954 946177108 /nfs/dbraw/zinc/17/71/08/946177108.db2.gz MWPZEGRTLGCMGT-IYSWYEEDSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573480957 946178655 /nfs/dbraw/zinc/17/86/55/946178655.db2.gz MWPZEGRTLGCMGT-VDTYLAMSSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573480957 946178653 /nfs/dbraw/zinc/17/86/53/946178653.db2.gz MWPZEGRTLGCMGT-VDTYLAMSSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001573481618 946184594 /nfs/dbraw/zinc/18/45/94/946184594.db2.gz QCSLFQKTYVGDSX-HKWIRBFKSA-N -1 1 390.473 -0.045 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001573481619 946184993 /nfs/dbraw/zinc/18/49/93/946184993.db2.gz QCSLFQKTYVGDSX-PDEGPIFNSA-N -1 1 390.473 -0.045 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573481697 946185036 /nfs/dbraw/zinc/18/50/36/946185036.db2.gz RAPDSEHRFVZAJQ-CAHLUQPWSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573481697 946185032 /nfs/dbraw/zinc/18/50/32/946185032.db2.gz RAPDSEHRFVZAJQ-CAHLUQPWSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573481698 946186937 /nfs/dbraw/zinc/18/69/37/946186937.db2.gz RAPDSEHRFVZAJQ-FSPLSTOPSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573481698 946186930 /nfs/dbraw/zinc/18/69/30/946186930.db2.gz RAPDSEHRFVZAJQ-FSPLSTOPSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573481699 946187427 /nfs/dbraw/zinc/18/74/27/946187427.db2.gz RAPDSEHRFVZAJQ-IYSWYEEDSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573481699 946187419 /nfs/dbraw/zinc/18/74/19/946187419.db2.gz RAPDSEHRFVZAJQ-IYSWYEEDSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573481700 946187220 /nfs/dbraw/zinc/18/72/20/946187220.db2.gz RAPDSEHRFVZAJQ-VDTYLAMSSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573481700 946187213 /nfs/dbraw/zinc/18/72/13/946187213.db2.gz RAPDSEHRFVZAJQ-VDTYLAMSSA-N -1 1 388.841 -0.610 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573481807 946186620 /nfs/dbraw/zinc/18/66/20/946186620.db2.gz RKXGYPMTLVQMAI-APPDUMDISA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573481808 946187135 /nfs/dbraw/zinc/18/71/35/946187135.db2.gz RKXGYPMTLVQMAI-DIFFPNOSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573481809 946187342 /nfs/dbraw/zinc/18/73/42/946187342.db2.gz RKXGYPMTLVQMAI-GTNSWQLSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573481810 946186474 /nfs/dbraw/zinc/18/64/74/946186474.db2.gz RKXGYPMTLVQMAI-PIGZYNQJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573481865 946189630 /nfs/dbraw/zinc/18/96/30/946189630.db2.gz SDXBWCBKKFMIDH-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573481865 946189621 /nfs/dbraw/zinc/18/96/21/946189621.db2.gz SDXBWCBKKFMIDH-JTQLQIEISA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573481866 946190119 /nfs/dbraw/zinc/19/01/19/946190119.db2.gz SDXBWCBKKFMIDH-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573481866 946190114 /nfs/dbraw/zinc/19/01/14/946190114.db2.gz SDXBWCBKKFMIDH-SNVBAGLBSA-N -1 1 389.420 -0.741 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573481867 946189525 /nfs/dbraw/zinc/18/95/25/946189525.db2.gz SEYLIYCQIDGWBY-APPDUMDISA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573481867 946189516 /nfs/dbraw/zinc/18/95/16/946189516.db2.gz SEYLIYCQIDGWBY-APPDUMDISA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573481868 946189945 /nfs/dbraw/zinc/18/99/45/946189945.db2.gz SEYLIYCQIDGWBY-DIFFPNOSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573481868 946189939 /nfs/dbraw/zinc/18/99/39/946189939.db2.gz SEYLIYCQIDGWBY-DIFFPNOSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573481869 946190130 /nfs/dbraw/zinc/19/01/30/946190130.db2.gz SEYLIYCQIDGWBY-GTNSWQLSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573481869 946190127 /nfs/dbraw/zinc/19/01/27/946190127.db2.gz SEYLIYCQIDGWBY-GTNSWQLSSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573481870 946189828 /nfs/dbraw/zinc/18/98/28/946189828.db2.gz SEYLIYCQIDGWBY-PIGZYNQJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573481870 946189824 /nfs/dbraw/zinc/18/98/24/946189824.db2.gz SEYLIYCQIDGWBY-PIGZYNQJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573481891 946189892 /nfs/dbraw/zinc/18/98/92/946189892.db2.gz SQGJVLMUGUNMJA-LLVKDONJSA-N -1 1 387.448 -0.166 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573481892 946190285 /nfs/dbraw/zinc/19/02/85/946190285.db2.gz SQGJVLMUGUNMJA-NSHDSACASA-N -1 1 387.448 -0.166 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573482003 946190041 /nfs/dbraw/zinc/19/00/41/946190041.db2.gz SUGHZRQKLMVCSA-LLVKDONJSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573482003 946190037 /nfs/dbraw/zinc/19/00/37/946190037.db2.gz SUGHZRQKLMVCSA-LLVKDONJSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573482004 946189652 /nfs/dbraw/zinc/18/96/52/946189652.db2.gz SUGHZRQKLMVCSA-NSHDSACASA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573482004 946189647 /nfs/dbraw/zinc/18/96/47/946189647.db2.gz SUGHZRQKLMVCSA-NSHDSACASA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573482051 946191110 /nfs/dbraw/zinc/19/11/10/946191110.db2.gz UBOKJKAYLBSHHM-SECBINFHSA-N -1 1 379.446 -0.884 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573482052 946191210 /nfs/dbraw/zinc/19/12/10/946191210.db2.gz UBOKJKAYLBSHHM-VIFPVBQESA-N -1 1 379.446 -0.884 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573482065 946191489 /nfs/dbraw/zinc/19/14/89/946191489.db2.gz UKSQQPQGTNNGGY-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573482065 946191477 /nfs/dbraw/zinc/19/14/77/946191477.db2.gz UKSQQPQGTNNGGY-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573482066 946191039 /nfs/dbraw/zinc/19/10/39/946191039.db2.gz UKSQQPQGTNNGGY-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573482066 946191029 /nfs/dbraw/zinc/19/10/29/946191029.db2.gz 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CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573482837 946204437 /nfs/dbraw/zinc/20/44/37/946204437.db2.gz ALIWBWMUOIGPPN-NQBHXWOUSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573482838 946204309 /nfs/dbraw/zinc/20/43/09/946204309.db2.gz ALIWBWMUOIGPPN-NTZNESFSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573482849 946203205 /nfs/dbraw/zinc/20/32/05/946203205.db2.gz ATVHNLPDTPCHOV-GHMZBOCLSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573482850 946203305 /nfs/dbraw/zinc/20/33/05/946203305.db2.gz ATVHNLPDTPCHOV-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573482851 946203051 /nfs/dbraw/zinc/20/30/51/946203051.db2.gz ATVHNLPDTPCHOV-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM 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CC(=O)NC1(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573488756 946274350 /nfs/dbraw/zinc/27/43/50/946274350.db2.gz LHRDFIWCTZWIHQ-NSHDSACASA-N -1 1 387.448 -0.166 20 0 GBADMM CC(=O)NC1(C(=O)NCCN(C)c2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488767 946273969 /nfs/dbraw/zinc/27/39/69/946273969.db2.gz LROXIIDJRKCWOB-UHFFFAOYSA-N -1 1 387.448 -0.034 20 0 GBADMM CC(=O)NC1(C(=O)NCCN(C)c2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488767 946273960 /nfs/dbraw/zinc/27/39/60/946273960.db2.gz LROXIIDJRKCWOB-UHFFFAOYSA-N -1 1 387.448 -0.034 20 0 GBADMM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573488781 946274277 /nfs/dbraw/zinc/27/42/77/946274277.db2.gz LYKPBUKGZWCXQI-GFCCVEGCSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001573488781 946274269 /nfs/dbraw/zinc/27/42/69/946274269.db2.gz LYKPBUKGZWCXQI-GFCCVEGCSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573488782 946278343 /nfs/dbraw/zinc/27/83/43/946278343.db2.gz LYKPBUKGZWCXQI-LBPRGKRZSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001573488782 946278332 /nfs/dbraw/zinc/27/83/32/946278332.db2.gz LYKPBUKGZWCXQI-LBPRGKRZSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488810 946278225 /nfs/dbraw/zinc/27/82/25/946278225.db2.gz MSHZHIVNAGDWRW-LLVKDONJSA-N -1 1 387.448 -0.166 20 0 GBADMM CC(=O)NC1(C(=O)N[C@@H](C)CCNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488811 946278401 /nfs/dbraw/zinc/27/84/01/946278401.db2.gz MSHZHIVNAGDWRW-NSHDSACASA-N -1 1 387.448 -0.166 20 0 GBADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488905 946281236 /nfs/dbraw/zinc/28/12/36/946281236.db2.gz PJFWNXGQGRJXIA-LLVKDONJSA-N -1 1 387.448 -0.214 20 0 GBADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488906 946279657 /nfs/dbraw/zinc/27/96/57/946279657.db2.gz PJFWNXGQGRJXIA-NSHDSACASA-N -1 1 387.448 -0.214 20 0 GBADMM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573488948 946281985 /nfs/dbraw/zinc/28/19/85/946281985.db2.gz QTCYPFLHOCUCKR-GFCCVEGCSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573488949 946283256 /nfs/dbraw/zinc/28/32/56/946283256.db2.gz QTCYPFLHOCUCKR-LBPRGKRZSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001573488985 946283637 /nfs/dbraw/zinc/28/36/37/946283637.db2.gz SFLGZJPSQUBDJP-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCC1 ZINC001573488985 946283624 /nfs/dbraw/zinc/28/36/24/946283624.db2.gz SFLGZJPSQUBDJP-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCCC1 ZINC001573488992 946281907 /nfs/dbraw/zinc/28/19/07/946281907.db2.gz SSMMLJTYTYYOAI-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCCC1 ZINC001573488992 946281895 /nfs/dbraw/zinc/28/18/95/946281895.db2.gz SSMMLJTYTYYOAI-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573489038 946286264 /nfs/dbraw/zinc/28/62/64/946286264.db2.gz VHTKQSIDXYHKGT-GFCCVEGCSA-N -1 1 385.432 -0.460 20 0 GBADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573489039 946284761 /nfs/dbraw/zinc/28/47/61/946284761.db2.gz VHTKQSIDXYHKGT-LBPRGKRZSA-N -1 1 385.432 -0.460 20 0 GBADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573489062 946284854 /nfs/dbraw/zinc/28/48/54/946284854.db2.gz WHCPFRFOYLIQNW-LLVKDONJSA-N -1 1 387.448 -0.214 20 0 GBADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573489063 946284365 /nfs/dbraw/zinc/28/43/65/946284365.db2.gz WHCPFRFOYLIQNW-NSHDSACASA-N -1 1 387.448 -0.214 20 0 GBADMM CC(=O)NC1(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573489065 946284479 /nfs/dbraw/zinc/28/44/79/946284479.db2.gz WJBBQKSOLACTCA-LLVKDONJSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573489066 946284783 /nfs/dbraw/zinc/28/47/83/946284783.db2.gz WJBBQKSOLACTCA-NSHDSACASA-N -1 1 387.448 -0.308 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001573489082 946284101 /nfs/dbraw/zinc/28/41/01/946284101.db2.gz XBZUGZNPSMPNJZ-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001573489085 946284883 /nfs/dbraw/zinc/28/48/83/946284883.db2.gz XCLQUHVNFKUASC-GFCCVEGCSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001573489085 946284874 /nfs/dbraw/zinc/28/48/74/946284874.db2.gz XCLQUHVNFKUASC-GFCCVEGCSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001573489086 946284171 /nfs/dbraw/zinc/28/41/71/946284171.db2.gz XCLQUHVNFKUASC-LBPRGKRZSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001573489086 946284163 /nfs/dbraw/zinc/28/41/63/946284163.db2.gz XCLQUHVNFKUASC-LBPRGKRZSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573489127 946287412 /nfs/dbraw/zinc/28/74/12/946287412.db2.gz YFGVORDVESBAPC-GFCCVEGCSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573489127 946287403 /nfs/dbraw/zinc/28/74/03/946287403.db2.gz YFGVORDVESBAPC-GFCCVEGCSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573489128 946287326 /nfs/dbraw/zinc/28/73/26/946287326.db2.gz YFGVORDVESBAPC-LBPRGKRZSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573489128 946287320 /nfs/dbraw/zinc/28/73/20/946287320.db2.gz YFGVORDVESBAPC-LBPRGKRZSA-N -1 1 385.432 -0.200 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCC1 ZINC001573489144 946288306 /nfs/dbraw/zinc/28/83/06/946288306.db2.gz YUCWGVOVIXQGRM-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCC1 ZINC001573489144 946288300 /nfs/dbraw/zinc/28/83/00/946288300.db2.gz YUCWGVOVIXQGRM-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCC1 ZINC001573489157 946287163 /nfs/dbraw/zinc/28/71/63/946287163.db2.gz ZLJHAGGUOBNHCN-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCC1 ZINC001573489157 946287153 /nfs/dbraw/zinc/28/71/53/946287153.db2.gz ZLJHAGGUOBNHCN-UHFFFAOYSA-N -1 1 385.432 -0.246 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573491763 946289026 /nfs/dbraw/zinc/28/90/26/946289026.db2.gz AIOYIKGBIBUDQR-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573491763 946289017 /nfs/dbraw/zinc/28/90/17/946289017.db2.gz AIOYIKGBIBUDQR-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573492260 946292223 /nfs/dbraw/zinc/29/22/23/946292223.db2.gz CLCOPNBXVGORSZ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573492260 946292213 /nfs/dbraw/zinc/29/22/13/946292213.db2.gz CLCOPNBXVGORSZ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573493809 946297917 /nfs/dbraw/zinc/29/79/17/946297917.db2.gz JKUKVIQWXBDHPE-PKSQDBQZSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573493815 946296938 /nfs/dbraw/zinc/29/69/38/946296938.db2.gz JKUKVIQWXBDHPE-QFWMXSHPSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573493824 946296850 /nfs/dbraw/zinc/29/68/50/946296850.db2.gz JPVHLJUPKXTFKD-PKSQDBQZSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573493828 946298893 /nfs/dbraw/zinc/29/88/93/946298893.db2.gz JPVHLJUPKXTFKD-QFWMXSHPSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)NC1CCC(C(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573494056 946301000 /nfs/dbraw/zinc/30/10/00/946301000.db2.gz KTJGATMTOKZMAA-UHFFFAOYSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573495441 946307270 /nfs/dbraw/zinc/30/72/70/946307270.db2.gz PJGGBLGKUAAZGC-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573495441 946307254 /nfs/dbraw/zinc/30/72/54/946307254.db2.gz PJGGBLGKUAAZGC-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573495463 946307107 /nfs/dbraw/zinc/30/71/07/946307107.db2.gz PUPOFRJVBFSCKT-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC1CCC(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001573496022 946318390 /nfs/dbraw/zinc/31/83/90/946318390.db2.gz VWCCIQXMLIXUOB-UHFFFAOYSA-N -1 1 390.404 -0.917 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573496323 946325391 /nfs/dbraw/zinc/32/53/91/946325391.db2.gz YNDAMWKNNXHODZ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NC1CCC(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573496323 946325378 /nfs/dbraw/zinc/32/53/78/946325378.db2.gz YNDAMWKNNXHODZ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N(CCO)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573499482 946366251 /nfs/dbraw/zinc/36/62/51/946366251.db2.gz DMUDLKRTHPZVJR-UHFFFAOYSA-N -1 1 388.841 -0.655 20 0 GBADMM CC(=O)NCC(=O)N(CCO)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573499482 946366237 /nfs/dbraw/zinc/36/62/37/946366237.db2.gz DMUDLKRTHPZVJR-UHFFFAOYSA-N -1 1 388.841 -0.655 20 0 GBADMM CC(=O)NCC(=O)N(CCO)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573499951 946370904 /nfs/dbraw/zinc/37/09/04/946370904.db2.gz HKVVHRJIIONSNB-UHFFFAOYSA-N -1 1 388.841 -0.655 20 0 GBADMM CC(=O)NCC(=O)N(CCO)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573499951 946370894 /nfs/dbraw/zinc/37/08/94/946370894.db2.gz HKVVHRJIIONSNB-UHFFFAOYSA-N -1 1 388.841 -0.655 20 0 GBADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573500946 946377309 /nfs/dbraw/zinc/37/73/09/946377309.db2.gz LWVUPWWYBWGJOL-GFCCVEGCSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573500948 946376530 /nfs/dbraw/zinc/37/65/30/946376530.db2.gz LWVUPWWYBWGJOL-LBPRGKRZSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)NCC(=O)N(CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573502452 946387459 /nfs/dbraw/zinc/38/74/59/946387459.db2.gz WFQBUVNRYBMJJV-UHFFFAOYSA-N -1 1 375.437 -0.226 20 0 GBADMM CC(=O)NCC(=O)N(CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573502452 946387446 /nfs/dbraw/zinc/38/74/46/946387446.db2.gz WFQBUVNRYBMJJV-UHFFFAOYSA-N -1 1 375.437 -0.226 20 0 GBADMM CC(=O)NCC(=O)N(C)CC(C)(C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573502493 946387209 /nfs/dbraw/zinc/38/72/09/946387209.db2.gz WRFUBLJINDKZRI-UHFFFAOYSA-N -1 1 375.437 -0.002 20 0 GBADMM CC(=O)NCC(=O)N(C)CC(C)(C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573502493 946387200 /nfs/dbraw/zinc/38/72/00/946387200.db2.gz WRFUBLJINDKZRI-UHFFFAOYSA-N -1 1 375.437 -0.002 20 0 GBADMM CC(=O)NCC(=O)N(C)C[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573502514 946386955 /nfs/dbraw/zinc/38/69/55/946386955.db2.gz WUSORIVTEHOMNE-SSDOTTSWSA-N -1 1 388.841 -0.656 20 0 GBADMM CC(=O)NCC(=O)N(C)C[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573502514 946386943 /nfs/dbraw/zinc/38/69/43/946386943.db2.gz WUSORIVTEHOMNE-SSDOTTSWSA-N -1 1 388.841 -0.656 20 0 GBADMM CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573502517 946388357 /nfs/dbraw/zinc/38/83/57/946388357.db2.gz WUSORIVTEHOMNE-ZETCQYMHSA-N -1 1 388.841 -0.656 20 0 GBADMM CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573502517 946388348 /nfs/dbraw/zinc/38/83/48/946388348.db2.gz WUSORIVTEHOMNE-ZETCQYMHSA-N -1 1 388.841 -0.656 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CC(=O)NCC(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573512552 946500396 /nfs/dbraw/zinc/50/03/96/946500396.db2.gz YHSSQPXBTGVXKJ-CALCHBBNSA-N -1 1 385.432 -0.532 20 0 GBADMM CC(=O)NCC(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573512552 946500379 /nfs/dbraw/zinc/50/03/79/946500379.db2.gz YHSSQPXBTGVXKJ-CALCHBBNSA-N -1 1 385.432 -0.532 20 0 GBADMM CC(=O)NCC(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573512635 946504052 /nfs/dbraw/zinc/50/40/52/946504052.db2.gz YXUUOPUHCOHXNS-CALCHBBNSA-N -1 1 385.432 -0.532 20 0 GBADMM CC(=O)NCC(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573512635 946504047 /nfs/dbraw/zinc/50/40/47/946504047.db2.gz YXUUOPUHCOHXNS-CALCHBBNSA-N -1 1 385.432 -0.532 20 0 GBADMM CC(=O)NCC(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001573512962 946505697 /nfs/dbraw/zinc/50/56/97/946505697.db2.gz JTBTULXDNNDIJN-UHFFFAOYSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001573512962 946505688 /nfs/dbraw/zinc/50/56/88/946505688.db2.gz JTBTULXDNNDIJN-UHFFFAOYSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001573513481 946512584 /nfs/dbraw/zinc/51/25/84/946512584.db2.gz NIXDWPSDIOYBEJ-UHFFFAOYSA-N -1 1 385.432 -0.059 20 0 GBADMM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001573513481 946512571 /nfs/dbraw/zinc/51/25/71/946512571.db2.gz NIXDWPSDIOYBEJ-UHFFFAOYSA-N -1 1 385.432 -0.059 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001573513583 946513979 /nfs/dbraw/zinc/51/39/79/946513979.db2.gz ODMIULFQOBBJOR-AVGNSLFASA-N -1 1 385.432 -0.425 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001573513583 946513970 /nfs/dbraw/zinc/51/39/70/946513970.db2.gz ODMIULFQOBBJOR-AVGNSLFASA-N -1 1 385.432 -0.425 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001573513585 946512390 /nfs/dbraw/zinc/51/23/90/946512390.db2.gz ODMIULFQOBBJOR-XQQFMLRXSA-N -1 1 385.432 -0.425 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001573513585 946512381 /nfs/dbraw/zinc/51/23/81/946512381.db2.gz ODMIULFQOBBJOR-XQQFMLRXSA-N -1 1 385.432 -0.425 20 0 GBADMM CC(=O)NCC(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001573513941 946517204 /nfs/dbraw/zinc/51/72/04/946517204.db2.gz RNGUODGRBSHFAK-UHFFFAOYSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001573513941 946517198 /nfs/dbraw/zinc/51/71/98/946517198.db2.gz RNGUODGRBSHFAK-UHFFFAOYSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC12CCN(c1nc(C)cc(-c3nn[n-]n3)n1)CC2 ZINC001573514106 946518030 /nfs/dbraw/zinc/51/80/30/946518030.db2.gz SBHLBYURWHEDQS-CYBMUJFWSA-N -1 1 385.432 -0.424 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC12CCN(c1nc(C)cc(-c3nnn[n-]3)n1)CC2 ZINC001573514106 946518017 /nfs/dbraw/zinc/51/80/17/946518017.db2.gz SBHLBYURWHEDQS-CYBMUJFWSA-N -1 1 385.432 -0.424 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CC12CCN(c1nc(C)cc(-c3nn[n-]n3)n1)CC2 ZINC001573514107 946518592 /nfs/dbraw/zinc/51/85/92/946518592.db2.gz SBHLBYURWHEDQS-ZDUSSCGKSA-N -1 1 385.432 -0.424 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CC12CCN(c1nc(C)cc(-c3nnn[n-]3)n1)CC2 ZINC001573514107 946518587 /nfs/dbraw/zinc/51/85/87/946518587.db2.gz SBHLBYURWHEDQS-ZDUSSCGKSA-N -1 1 385.432 -0.424 20 0 GBADMM CC(=O)NCC(=O)NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001573514136 946521177 /nfs/dbraw/zinc/52/11/77/946521177.db2.gz SORYGELNIDWCJG-UHFFFAOYSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573514213 946522603 /nfs/dbraw/zinc/52/26/03/946522603.db2.gz VJEPESZOLWWPSL-FRRDWIJNSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573514214 946522672 /nfs/dbraw/zinc/52/26/72/946522672.db2.gz VJEPESZOLWWPSL-JHJVBQTASA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573514215 946522365 /nfs/dbraw/zinc/52/23/65/946522365.db2.gz VJEPESZOLWWPSL-RWMBFGLXSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573514216 946523516 /nfs/dbraw/zinc/52/35/16/946523516.db2.gz VJEPESZOLWWPSL-YNEHKIRRSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC[C@@H]1C ZINC001573514223 946523105 /nfs/dbraw/zinc/52/31/05/946523105.db2.gz VPHQNBFQGKTFDO-APPDUMDISA-N -1 1 387.448 -0.308 20 0 GBADMM CC(=O)NCC(=O)N[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC[C@H]1C ZINC001573514224 946524020 /nfs/dbraw/zinc/52/40/20/946524020.db2.gz VPHQNBFQGKTFDO-DIFFPNOSSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(=O)NCC(=O)N[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC[C@@H]1C ZINC001573514225 946523818 /nfs/dbraw/zinc/52/38/18/946523818.db2.gz VPHQNBFQGKTFDO-GTNSWQLSSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(=O)NCC(=O)N[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC[C@H]1C ZINC001573514226 946522650 /nfs/dbraw/zinc/52/26/50/946522650.db2.gz VPHQNBFQGKTFDO-PIGZYNQJSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(=O)NCC(=O)NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001573514540 946530004 /nfs/dbraw/zinc/53/00/04/946530004.db2.gz ZQTPVHNREWFMFM-UHFFFAOYSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573514540 946529996 /nfs/dbraw/zinc/52/99/96/946529996.db2.gz ZQTPVHNREWFMFM-UHFFFAOYSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573514550 946529531 /nfs/dbraw/zinc/52/95/31/946529531.db2.gz ZWBQNEGNBQRJFY-UHFFFAOYSA-N -1 1 389.420 -0.821 20 0 GBADMM CC(=O)NCC(=O)NC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573514550 946529524 /nfs/dbraw/zinc/52/95/24/946529524.db2.gz ZWBQNEGNBQRJFY-UHFFFAOYSA-N -1 1 389.420 -0.821 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1 ZINC001573514551 946529912 /nfs/dbraw/zinc/52/99/12/946529912.db2.gz ZWFRGDBERSYQAE-FRRDWIJNSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1 ZINC001573514551 946529907 /nfs/dbraw/zinc/52/99/07/946529907.db2.gz ZWFRGDBERSYQAE-FRRDWIJNSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573514552 946530185 /nfs/dbraw/zinc/53/01/85/946530185.db2.gz ZWFRGDBERSYQAE-JHJVBQTASA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573514552 946530177 /nfs/dbraw/zinc/53/01/77/946530177.db2.gz ZWFRGDBERSYQAE-JHJVBQTASA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1 ZINC001573514553 946530072 /nfs/dbraw/zinc/53/00/72/946530072.db2.gz ZWFRGDBERSYQAE-RWMBFGLXSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1 ZINC001573514553 946530066 /nfs/dbraw/zinc/53/00/66/946530066.db2.gz ZWFRGDBERSYQAE-RWMBFGLXSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573514554 946529505 /nfs/dbraw/zinc/52/95/05/946529505.db2.gz ZWFRGDBERSYQAE-YNEHKIRRSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573514554 946529493 /nfs/dbraw/zinc/52/94/93/946529493.db2.gz ZWFRGDBERSYQAE-YNEHKIRRSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573514560 946530854 /nfs/dbraw/zinc/53/08/54/946530854.db2.gz ZYGFAHBYDJZMGV-FRRDWIJNSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001573514560 946530846 /nfs/dbraw/zinc/53/08/46/946530846.db2.gz ZYGFAHBYDJZMGV-FRRDWIJNSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573514561 946531034 /nfs/dbraw/zinc/53/10/34/946531034.db2.gz ZYGFAHBYDJZMGV-JHJVBQTASA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573514561 946531029 /nfs/dbraw/zinc/53/10/29/946531029.db2.gz ZYGFAHBYDJZMGV-JHJVBQTASA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573514562 946531154 /nfs/dbraw/zinc/53/11/54/946531154.db2.gz ZYGFAHBYDJZMGV-RWMBFGLXSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001573514562 946531147 /nfs/dbraw/zinc/53/11/47/946531147.db2.gz ZYGFAHBYDJZMGV-RWMBFGLXSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573514563 946530212 /nfs/dbraw/zinc/53/02/12/946530212.db2.gz ZYGFAHBYDJZMGV-YNEHKIRRSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573514563 946530207 /nfs/dbraw/zinc/53/02/07/946530207.db2.gz ZYGFAHBYDJZMGV-YNEHKIRRSA-N -1 1 385.432 -0.486 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573515391 946542720 /nfs/dbraw/zinc/54/27/20/946542720.db2.gz LUSWGHOYGJLEKA-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573515391 946542710 /nfs/dbraw/zinc/54/27/10/946542710.db2.gz LUSWGHOYGJLEKA-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573515394 946542264 /nfs/dbraw/zinc/54/22/64/946542264.db2.gz LUSWGHOYGJLEKA-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573515394 946542252 /nfs/dbraw/zinc/54/22/52/946542252.db2.gz LUSWGHOYGJLEKA-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001573515694 946548687 /nfs/dbraw/zinc/54/86/87/946548687.db2.gz PDWPQORBPPHKIL-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001573515694 946548678 /nfs/dbraw/zinc/54/86/78/946548678.db2.gz PDWPQORBPPHKIL-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001573515695 946547900 /nfs/dbraw/zinc/54/79/00/946547900.db2.gz PDWPQORBPPHKIL-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001573515695 946547893 /nfs/dbraw/zinc/54/78/93/946547893.db2.gz PDWPQORBPPHKIL-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001573516156 946556091 /nfs/dbraw/zinc/55/60/91/946556091.db2.gz VMQVBFMLCDHNAK-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001573516157 946556989 /nfs/dbraw/zinc/55/69/89/946556989.db2.gz VMQVBFMLCDHNAK-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573516466 946562652 /nfs/dbraw/zinc/56/26/52/946562652.db2.gz ZZHZCSZPCGGSEU-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573516466 946562647 /nfs/dbraw/zinc/56/26/47/946562647.db2.gz ZZHZCSZPCGGSEU-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573516469 946561501 /nfs/dbraw/zinc/56/15/01/946561501.db2.gz ZZHZCSZPCGGSEU-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573516469 946561496 /nfs/dbraw/zinc/56/14/96/946561496.db2.gz ZZHZCSZPCGGSEU-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573516954 946561480 /nfs/dbraw/zinc/56/14/80/946561480.db2.gz ANMXLDFROXKFPS-KRWDZBQOSA-N -1 1 387.448 -0.176 20 0 GBADMM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573516954 946561473 /nfs/dbraw/zinc/56/14/73/946561473.db2.gz ANMXLDFROXKFPS-KRWDZBQOSA-N -1 1 387.448 -0.176 20 0 GBADMM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573516955 946564954 /nfs/dbraw/zinc/56/49/54/946564954.db2.gz ANMXLDFROXKFPS-QGZVFWFLSA-N -1 1 387.448 -0.176 20 0 GBADMM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573516955 946564943 /nfs/dbraw/zinc/56/49/43/946564943.db2.gz ANMXLDFROXKFPS-QGZVFWFLSA-N -1 1 387.448 -0.176 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573516971 946564626 /nfs/dbraw/zinc/56/46/26/946564626.db2.gz AZVCEAKDKWRJEC-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573516971 946564621 /nfs/dbraw/zinc/56/46/21/946564621.db2.gz AZVCEAKDKWRJEC-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573516972 946564659 /nfs/dbraw/zinc/56/46/59/946564659.db2.gz AZVCEAKDKWRJEC-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573516972 946564649 /nfs/dbraw/zinc/56/46/49/946564649.db2.gz AZVCEAKDKWRJEC-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573517144 946567890 /nfs/dbraw/zinc/56/78/90/946567890.db2.gz DHDQKLOXVBRFNE-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573517145 946568002 /nfs/dbraw/zinc/56/80/02/946568002.db2.gz DHDQKLOXVBRFNE-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573517435 946570893 /nfs/dbraw/zinc/57/08/93/946570893.db2.gz JXBQPVOAGAZGHT-UHFFFAOYSA-N -1 1 389.420 -0.821 20 0 GBADMM CC(=O)NCC(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573517435 946570885 /nfs/dbraw/zinc/57/08/85/946570885.db2.gz JXBQPVOAGAZGHT-UHFFFAOYSA-N -1 1 389.420 -0.821 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573517456 946574096 /nfs/dbraw/zinc/57/40/96/946574096.db2.gz KLVVABIOZNWOIP-CYBMUJFWSA-N -1 1 381.400 -0.516 20 0 GBADMM CC(=O)NCC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573517457 946574704 /nfs/dbraw/zinc/57/47/04/946574704.db2.gz KLVVABIOZNWOIP-ZDUSSCGKSA-N -1 1 381.400 -0.516 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573517518 946573459 /nfs/dbraw/zinc/57/34/59/946573459.db2.gz LZWVBPNHMJAACR-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573517518 946573453 /nfs/dbraw/zinc/57/34/53/946573453.db2.gz LZWVBPNHMJAACR-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573517519 946574485 /nfs/dbraw/zinc/57/44/85/946574485.db2.gz LZWVBPNHMJAACR-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573517519 946574473 /nfs/dbraw/zinc/57/44/73/946574473.db2.gz LZWVBPNHMJAACR-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573517525 946577126 /nfs/dbraw/zinc/57/71/26/946577126.db2.gz MKGCRZFWMNPPEG-CYBMUJFWSA-N -1 1 387.448 -0.034 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573517525 946577113 /nfs/dbraw/zinc/57/71/13/946577113.db2.gz MKGCRZFWMNPPEG-CYBMUJFWSA-N -1 1 387.448 -0.034 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573517526 946577265 /nfs/dbraw/zinc/57/72/65/946577265.db2.gz MKGCRZFWMNPPEG-ZDUSSCGKSA-N -1 1 387.448 -0.034 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573517526 946577253 /nfs/dbraw/zinc/57/72/53/946577253.db2.gz MKGCRZFWMNPPEG-ZDUSSCGKSA-N -1 1 387.448 -0.034 20 0 GBADMM CC(=O)NCC(=O)NCC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573517774 946582976 /nfs/dbraw/zinc/58/29/76/946582976.db2.gz RBHCKICRHZAEDA-UHFFFAOYSA-N -1 1 387.448 -0.176 20 0 GBADMM CC(=O)NCC(=O)NCC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573517774 946582970 /nfs/dbraw/zinc/58/29/70/946582970.db2.gz RBHCKICRHZAEDA-UHFFFAOYSA-N -1 1 387.448 -0.176 20 0 GBADMM CC(=O)NCC(=O)NCC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573520036 946590864 /nfs/dbraw/zinc/59/08/64/946590864.db2.gz ANRMPNHXBJMCCX-ZWNOBZJWSA-N -1 1 387.448 -0.320 20 0 GBADMM CC(=O)NCC(=O)NCC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573520036 946590857 /nfs/dbraw/zinc/59/08/57/946590857.db2.gz ANRMPNHXBJMCCX-ZWNOBZJWSA-N -1 1 387.448 -0.320 20 0 GBADMM CC(=O)NCC(=O)NCCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573520056 946590671 /nfs/dbraw/zinc/59/06/71/946590671.db2.gz BCROWASAKHBTMA-UHFFFAOYSA-N -1 1 375.437 -0.178 20 0 GBADMM CC(=O)NCC(=O)NCCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573520056 946590664 /nfs/dbraw/zinc/59/06/64/946590664.db2.gz BCROWASAKHBTMA-UHFFFAOYSA-N -1 1 375.437 -0.178 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573520252 946595004 /nfs/dbraw/zinc/59/50/04/946595004.db2.gz FRQUSZKYVMWKNK-JOCQHMNTSA-N -1 1 387.448 -0.451 20 0 GBADMM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573520260 946596525 /nfs/dbraw/zinc/59/65/25/946596525.db2.gz GDCIFZHTHFUEGX-CXAGYDPISA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573520260 946596514 /nfs/dbraw/zinc/59/65/14/946596514.db2.gz GDCIFZHTHFUEGX-CXAGYDPISA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573520292 946595407 /nfs/dbraw/zinc/59/54/07/946595407.db2.gz HKQIWJYWSYPSFX-CXAGYDPISA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573520292 946595403 /nfs/dbraw/zinc/59/54/03/946595403.db2.gz HKQIWJYWSYPSFX-CXAGYDPISA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1COCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573520312 946596134 /nfs/dbraw/zinc/59/61/34/946596134.db2.gz IDUZSSRHFCYZBH-JTQLQIEISA-N -1 1 380.434 -0.911 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1COCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573520313 946595419 /nfs/dbraw/zinc/59/54/19/946595419.db2.gz IDUZSSRHFCYZBH-SNVBAGLBSA-N -1 1 380.434 -0.911 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573520541 946599484 /nfs/dbraw/zinc/59/94/84/946599484.db2.gz JHUSOHDAVYQIAD-CLLJXQQHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573520541 946599475 /nfs/dbraw/zinc/59/94/75/946599475.db2.gz JHUSOHDAVYQIAD-CLLJXQQHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)NCC(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573520575 946598367 /nfs/dbraw/zinc/59/83/67/946598367.db2.gz KUTNNLHKZGFRPP-UHFFFAOYSA-N -1 1 381.400 -0.557 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573520870 946601089 /nfs/dbraw/zinc/60/10/89/946601089.db2.gz OHKJCUSUHICLIA-CLLJXQQHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573520870 946601083 /nfs/dbraw/zinc/60/10/83/946601083.db2.gz OHKJCUSUHICLIA-CLLJXQQHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573520929 946603966 /nfs/dbraw/zinc/60/39/66/946603966.db2.gz PZHMEAGSJLMQGQ-SJKOYZFVSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573520943 946604529 /nfs/dbraw/zinc/60/45/29/946604529.db2.gz QCZPJTJIKIEJCJ-LDYMZIIASA-N -1 1 378.462 -0.044 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001573521149 946604070 /nfs/dbraw/zinc/60/40/70/946604070.db2.gz SMFGUJUDLKLJOF-LLVKDONJSA-N -1 1 379.446 -0.619 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001573521150 946603579 /nfs/dbraw/zinc/60/35/79/946603579.db2.gz SMFGUJUDLKLJOF-NSHDSACASA-N -1 1 379.446 -0.619 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573521217 946606827 /nfs/dbraw/zinc/60/68/27/946606827.db2.gz UKLPSGXKVYXZRB-CLLJXQQHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573521217 946606823 /nfs/dbraw/zinc/60/68/23/946606823.db2.gz UKLPSGXKVYXZRB-CLLJXQQHSA-N -1 1 385.432 -0.344 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573521483 946607781 /nfs/dbraw/zinc/60/77/81/946607781.db2.gz XWPHPCFZZUWUSF-LLVKDONJSA-N -1 1 379.446 -0.619 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573521485 946609307 /nfs/dbraw/zinc/60/93/07/946609307.db2.gz XWPHPCFZZUWUSF-NSHDSACASA-N -1 1 379.446 -0.619 20 0 GBADMM CC(=O)NCC(=O)NC[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001573521553 946609391 /nfs/dbraw/zinc/60/93/91/946609391.db2.gz ZCGYCJLOAPXUDW-JTQLQIEISA-N -1 1 380.434 -0.911 20 0 GBADMM CC(=O)NCC(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001573521556 946608831 /nfs/dbraw/zinc/60/88/31/946608831.db2.gz ZCGYCJLOAPXUDW-SNVBAGLBSA-N -1 1 380.434 -0.911 20 0 GBADMM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573521586 946609095 /nfs/dbraw/zinc/60/90/95/946609095.db2.gz ZXPAVRAXKSXIQB-SJKOYZFVSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573521586 946609089 /nfs/dbraw/zinc/60/90/89/946609089.db2.gz ZXPAVRAXKSXIQB-SJKOYZFVSA-N -1 1 385.432 -0.342 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nn[n-]n1 ZINC001573521746 946610377 /nfs/dbraw/zinc/61/03/77/946610377.db2.gz DRWVOCORWYOGKT-MXWKQRLJSA-N -1 1 376.446 -0.006 20 0 GBADMM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573521959 946617658 /nfs/dbraw/zinc/61/76/58/946617658.db2.gz QWUFGEWOJFRCRN-LLVKDONJSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573521959 946617649 /nfs/dbraw/zinc/61/76/49/946617649.db2.gz QWUFGEWOJFRCRN-LLVKDONJSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NCC(=O)N[C@@H](C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573521960 946618156 /nfs/dbraw/zinc/61/81/56/946618156.db2.gz QWUFGEWOJFRCRN-NSHDSACASA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NCC(=O)N[C@@H](C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573521960 946618153 /nfs/dbraw/zinc/61/81/53/946618153.db2.gz QWUFGEWOJFRCRN-NSHDSACASA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573522085 946620678 /nfs/dbraw/zinc/62/06/78/946620678.db2.gz ABRNCIIUBCAEAC-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573522085 946620670 /nfs/dbraw/zinc/62/06/70/946620670.db2.gz ABRNCIIUBCAEAC-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573522090 946620086 /nfs/dbraw/zinc/62/00/86/946620086.db2.gz AFXHGJWMLWTLLO-QMSLJYSESA-N -1 1 382.837 -0.337 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573522172 946622133 /nfs/dbraw/zinc/62/21/33/946622133.db2.gz BRYCLIDTJUUBGX-RYUDHWBXSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573522172 946622124 /nfs/dbraw/zinc/62/21/24/946622124.db2.gz BRYCLIDTJUUBGX-RYUDHWBXSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573522188 946623113 /nfs/dbraw/zinc/62/31/13/946623113.db2.gz BZIMSMGVTPAPIJ-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573522188 946623107 /nfs/dbraw/zinc/62/31/07/946623107.db2.gz BZIMSMGVTPAPIJ-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573522190 946623231 /nfs/dbraw/zinc/62/32/31/946623231.db2.gz BZIMSMGVTPAPIJ-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573522190 946623227 /nfs/dbraw/zinc/62/32/27/946623227.db2.gz BZIMSMGVTPAPIJ-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573522197 946621927 /nfs/dbraw/zinc/62/19/27/946621927.db2.gz CASFEFBJLHVUQL-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573522197 946621920 /nfs/dbraw/zinc/62/19/20/946621920.db2.gz CASFEFBJLHVUQL-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573522199 946622923 /nfs/dbraw/zinc/62/29/23/946622923.db2.gz CASFEFBJLHVUQL-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573522199 946622920 /nfs/dbraw/zinc/62/29/20/946622920.db2.gz CASFEFBJLHVUQL-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573522227 946622869 /nfs/dbraw/zinc/62/28/69/946622869.db2.gz CLDZOIHMAJNKFK-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522249 946624596 /nfs/dbraw/zinc/62/45/96/946624596.db2.gz CUHIIGGTGBPTLQ-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522250 946625812 /nfs/dbraw/zinc/62/58/12/946625812.db2.gz CUHIIGGTGBPTLQ-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573522339 946625476 /nfs/dbraw/zinc/62/54/76/946625476.db2.gz CWZXEJXDGDVRPC-UHFFFAOYSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573522373 946625118 /nfs/dbraw/zinc/62/51/18/946625118.db2.gz DROGUEIJCWLHKN-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573522373 946625112 /nfs/dbraw/zinc/62/51/12/946625112.db2.gz DROGUEIJCWLHKN-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573522375 946625505 /nfs/dbraw/zinc/62/55/05/946625505.db2.gz DROGUEIJCWLHKN-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573522375 946625504 /nfs/dbraw/zinc/62/55/04/946625504.db2.gz DROGUEIJCWLHKN-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nn[n-]n1 ZINC001573522381 946625881 /nfs/dbraw/zinc/62/58/81/946625881.db2.gz DRWVOCORWYOGKT-VWYCJHECSA-N -1 1 376.446 -0.006 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573522382 946625755 /nfs/dbraw/zinc/62/57/55/946625755.db2.gz DSHBCVKBZTWNCT-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573522382 946625751 /nfs/dbraw/zinc/62/57/51/946625751.db2.gz DSHBCVKBZTWNCT-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573522385 946624918 /nfs/dbraw/zinc/62/49/18/946624918.db2.gz DVFRZSHMTZPUAN-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573522385 946624912 /nfs/dbraw/zinc/62/49/12/946624912.db2.gz DVFRZSHMTZPUAN-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001573522391 946624904 /nfs/dbraw/zinc/62/49/04/946624904.db2.gz DYPAKVUFJOPKBK-MTBHXBHISA-N -1 1 382.837 -0.337 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001573522391 946624897 /nfs/dbraw/zinc/62/48/97/946624897.db2.gz DYPAKVUFJOPKBK-MTBHXBHISA-N -1 1 382.837 -0.337 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573522404 946625495 /nfs/dbraw/zinc/62/54/95/946625495.db2.gz FDRGFZMYINQIQG-UHFFFAOYSA-N -1 1 375.437 -0.286 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573522404 946625490 /nfs/dbraw/zinc/62/54/90/946625490.db2.gz FDRGFZMYINQIQG-UHFFFAOYSA-N -1 1 375.437 -0.286 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001573522424 946624785 /nfs/dbraw/zinc/62/47/85/946624785.db2.gz FMPKPQMXGUUNCK-RYUDHWBXSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001573522424 946624781 /nfs/dbraw/zinc/62/47/81/946624781.db2.gz FMPKPQMXGUUNCK-RYUDHWBXSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573522426 946625297 /nfs/dbraw/zinc/62/52/97/946625297.db2.gz FMQPRIHDGTWLTC-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573522426 946625292 /nfs/dbraw/zinc/62/52/92/946625292.db2.gz FMQPRIHDGTWLTC-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573522427 946624858 /nfs/dbraw/zinc/62/48/58/946624858.db2.gz FMQPRIHDGTWLTC-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573522427 946624853 /nfs/dbraw/zinc/62/48/53/946624853.db2.gz FMQPRIHDGTWLTC-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522439 946627361 /nfs/dbraw/zinc/62/73/61/946627361.db2.gz FVGPGPZWKXTFMW-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522439 946627359 /nfs/dbraw/zinc/62/73/59/946627359.db2.gz FVGPGPZWKXTFMW-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522440 946627530 /nfs/dbraw/zinc/62/75/30/946627530.db2.gz FVGPGPZWKXTFMW-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522440 946627527 /nfs/dbraw/zinc/62/75/27/946627527.db2.gz FVGPGPZWKXTFMW-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573522450 946627791 /nfs/dbraw/zinc/62/77/91/946627791.db2.gz GDWGPGHNYWIXEG-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573522453 946628294 /nfs/dbraw/zinc/62/82/94/946628294.db2.gz GFASICBPUYKQTJ-UHFFFAOYSA-N -1 1 375.437 -0.286 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573522601 946627042 /nfs/dbraw/zinc/62/70/42/946627042.db2.gz HFDBHKKBLXXJTA-NXEZZACHSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573522604 946627069 /nfs/dbraw/zinc/62/70/69/946627069.db2.gz HFDBHKKBLXXJTA-UWVGGRQHSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573522606 946628368 /nfs/dbraw/zinc/62/83/68/946628368.db2.gz HFDBHKKBLXXJTA-VHSXEESVSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573522608 946627331 /nfs/dbraw/zinc/62/73/31/946627331.db2.gz HFDBHKKBLXXJTA-ZJUUUORDSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573522617 946627464 /nfs/dbraw/zinc/62/74/64/946627464.db2.gz HIQDDRBYUHTNNG-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573522617 946627456 /nfs/dbraw/zinc/62/74/56/946627456.db2.gz HIQDDRBYUHTNNG-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573522620 946627983 /nfs/dbraw/zinc/62/79/83/946627983.db2.gz HIQDDRBYUHTNNG-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573522620 946627973 /nfs/dbraw/zinc/62/79/73/946627973.db2.gz HIQDDRBYUHTNNG-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522634 946627397 /nfs/dbraw/zinc/62/73/97/946627397.db2.gz HOUAYMKXDPMGTM-UHFFFAOYSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573522658 946626999 /nfs/dbraw/zinc/62/69/99/946626999.db2.gz IDTVNKZDKNSHRV-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573522658 946626994 /nfs/dbraw/zinc/62/69/94/946626994.db2.gz IDTVNKZDKNSHRV-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573522660 946628422 /nfs/dbraw/zinc/62/84/22/946628422.db2.gz IDTVNKZDKNSHRV-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573522660 946628417 /nfs/dbraw/zinc/62/84/17/946628417.db2.gz IDTVNKZDKNSHRV-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522680 946627492 /nfs/dbraw/zinc/62/74/92/946627492.db2.gz ILEPWFAYBJCDGI-GFCCVEGCSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522683 946628209 /nfs/dbraw/zinc/62/82/09/946628209.db2.gz ILEPWFAYBJCDGI-LBPRGKRZSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522712 946627274 /nfs/dbraw/zinc/62/72/74/946627274.db2.gz ISMJNRREJTVYJX-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522715 946627443 /nfs/dbraw/zinc/62/74/43/946627443.db2.gz ISMJNRREJTVYJX-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573522719 946630385 /nfs/dbraw/zinc/63/03/85/946630385.db2.gz IXLDJWHYWWPLEA-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573522719 946630379 /nfs/dbraw/zinc/63/03/79/946630379.db2.gz IXLDJWHYWWPLEA-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573522720 946629623 /nfs/dbraw/zinc/62/96/23/946629623.db2.gz IXLDJWHYWWPLEA-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573522720 946629620 /nfs/dbraw/zinc/62/96/20/946629620.db2.gz IXLDJWHYWWPLEA-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573522729 946630109 /nfs/dbraw/zinc/63/01/09/946630109.db2.gz JCKMXNGJIRGXDD-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573522729 946630106 /nfs/dbraw/zinc/63/01/06/946630106.db2.gz JCKMXNGJIRGXDD-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573522750 946629561 /nfs/dbraw/zinc/62/95/61/946629561.db2.gz JPGVRQWMAZVROW-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573522750 946629559 /nfs/dbraw/zinc/62/95/59/946629559.db2.gz JPGVRQWMAZVROW-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573522752 946629615 /nfs/dbraw/zinc/62/96/15/946629615.db2.gz JPGVRQWMAZVROW-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573522752 946629611 /nfs/dbraw/zinc/62/96/11/946629611.db2.gz JPGVRQWMAZVROW-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573522753 946629603 /nfs/dbraw/zinc/62/96/03/946629603.db2.gz JRNNXLUPZTXEHG-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573522753 946629597 /nfs/dbraw/zinc/62/95/97/946629597.db2.gz JRNNXLUPZTXEHG-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522759 946629956 /nfs/dbraw/zinc/62/99/56/946629956.db2.gz JUXPHGXOXUAJDT-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522759 946629951 /nfs/dbraw/zinc/62/99/51/946629951.db2.gz JUXPHGXOXUAJDT-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522760 946629364 /nfs/dbraw/zinc/62/93/64/946629364.db2.gz JUXPHGXOXUAJDT-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522760 946629361 /nfs/dbraw/zinc/62/93/61/946629361.db2.gz JUXPHGXOXUAJDT-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573522764 946630330 /nfs/dbraw/zinc/63/03/30/946630330.db2.gz KAGIQUNOIWCBBE-QMSLJYSESA-N -1 1 382.837 -0.337 20 0 GBADMM CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573522764 946630321 /nfs/dbraw/zinc/63/03/21/946630321.db2.gz KAGIQUNOIWCBBE-QMSLJYSESA-N -1 1 382.837 -0.337 20 0 GBADMM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001573522765 946630006 /nfs/dbraw/zinc/63/00/06/946630006.db2.gz KAHYGDCIIRVCMO-SJCJKPOMSA-N -1 1 385.432 -0.424 20 0 GBADMM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001573522765 946629996 /nfs/dbraw/zinc/62/99/96/946629996.db2.gz KAHYGDCIIRVCMO-SJCJKPOMSA-N -1 1 385.432 -0.424 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573522774 946630633 /nfs/dbraw/zinc/63/06/33/946630633.db2.gz KIWLFJRUVMPUTN-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573522774 946630628 /nfs/dbraw/zinc/63/06/28/946630628.db2.gz KIWLFJRUVMPUTN-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573522775 946629736 /nfs/dbraw/zinc/62/97/36/946629736.db2.gz KIWLFJRUVMPUTN-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573522775 946629726 /nfs/dbraw/zinc/62/97/26/946629726.db2.gz KIWLFJRUVMPUTN-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522777 946629977 /nfs/dbraw/zinc/62/99/77/946629977.db2.gz KNPOWHGAMNGUMF-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522778 946630075 /nfs/dbraw/zinc/63/00/75/946630075.db2.gz KNPOWHGAMNGUMF-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573522841 946630303 /nfs/dbraw/zinc/63/03/03/946630303.db2.gz KXTRHNTYXZBWFG-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573522841 946630292 /nfs/dbraw/zinc/63/02/92/946630292.db2.gz KXTRHNTYXZBWFG-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522852 946629512 /nfs/dbraw/zinc/62/95/12/946629512.db2.gz LHUKWAYORHNYNP-CMPLNLGQSA-N -1 1 387.448 -0.500 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573522855 946629630 /nfs/dbraw/zinc/62/96/30/946629630.db2.gz LHUKWAYORHNYNP-JQWIXIFHSA-N -1 1 387.448 -0.500 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522856 946629570 /nfs/dbraw/zinc/62/95/70/946629570.db2.gz LHUKWAYORHNYNP-PWSUYJOCSA-N -1 1 387.448 -0.500 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573522857 946629767 /nfs/dbraw/zinc/62/97/67/946629767.db2.gz LHUKWAYORHNYNP-ZYHUDNBSSA-N -1 1 387.448 -0.500 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573522862 946629448 /nfs/dbraw/zinc/62/94/48/946629448.db2.gz LOXJSIUIVPCTJZ-GFCCVEGCSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573522863 946631890 /nfs/dbraw/zinc/63/18/90/946631890.db2.gz LOXJSIUIVPCTJZ-LBPRGKRZSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573522886 946631541 /nfs/dbraw/zinc/63/15/41/946631541.db2.gz MKLCRPMASDQSNR-UHFFFAOYSA-N -1 1 387.448 -0.224 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573522886 946631535 /nfs/dbraw/zinc/63/15/35/946631535.db2.gz MKLCRPMASDQSNR-UHFFFAOYSA-N -1 1 387.448 -0.224 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573522922 946631952 /nfs/dbraw/zinc/63/19/52/946631952.db2.gz MZHCIRRNJGGCHM-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573522922 946631944 /nfs/dbraw/zinc/63/19/44/946631944.db2.gz MZHCIRRNJGGCHM-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573522947 946632366 /nfs/dbraw/zinc/63/23/66/946632366.db2.gz NHAPCNINHRGNSC-LLVKDONJSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573522947 946632363 /nfs/dbraw/zinc/63/23/63/946632363.db2.gz NHAPCNINHRGNSC-LLVKDONJSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573522950 946632503 /nfs/dbraw/zinc/63/25/03/946632503.db2.gz NHAPCNINHRGNSC-NSHDSACASA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573522950 946632498 /nfs/dbraw/zinc/63/24/98/946632498.db2.gz NHAPCNINHRGNSC-NSHDSACASA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573522953 946632525 /nfs/dbraw/zinc/63/25/25/946632525.db2.gz NIHQWBKRCIUXFF-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573522953 946632519 /nfs/dbraw/zinc/63/25/19/946632519.db2.gz NIHQWBKRCIUXFF-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573522955 946632270 /nfs/dbraw/zinc/63/22/70/946632270.db2.gz NIHQWBKRCIUXFF-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573522955 946632267 /nfs/dbraw/zinc/63/22/67/946632267.db2.gz NIHQWBKRCIUXFF-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573523091 946632874 /nfs/dbraw/zinc/63/28/74/946632874.db2.gz NXJDLMSOJMZSCZ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573523091 946632863 /nfs/dbraw/zinc/63/28/63/946632863.db2.gz NXJDLMSOJMZSCZ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573523113 946635028 /nfs/dbraw/zinc/63/50/28/946635028.db2.gz OMOJPJFVLUWJCF-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573523115 946634044 /nfs/dbraw/zinc/63/40/44/946634044.db2.gz OMOJPJFVLUWJCF-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001573523120 946635131 /nfs/dbraw/zinc/63/51/31/946635131.db2.gz OQRSZYGBUNIZAG-UHFFFAOYSA-N -1 1 375.437 -0.286 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001573523120 946635123 /nfs/dbraw/zinc/63/51/23/946635123.db2.gz OQRSZYGBUNIZAG-UHFFFAOYSA-N -1 1 375.437 -0.286 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573523181 946635159 /nfs/dbraw/zinc/63/51/59/946635159.db2.gz POUUPJCWUOVENV-UHFFFAOYSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573523208 946635143 /nfs/dbraw/zinc/63/51/43/946635143.db2.gz PRIHDIFSVOMOKU-JTQLQIEISA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573523212 946634770 /nfs/dbraw/zinc/63/47/70/946634770.db2.gz PRIHDIFSVOMOKU-SNVBAGLBSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573523424 946634094 /nfs/dbraw/zinc/63/40/94/946634094.db2.gz RBQPPGIGFXDCHD-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573523424 946634084 /nfs/dbraw/zinc/63/40/84/946634084.db2.gz RBQPPGIGFXDCHD-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573523429 946635049 /nfs/dbraw/zinc/63/50/49/946635049.db2.gz RBQPPGIGFXDCHD-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573523429 946635043 /nfs/dbraw/zinc/63/50/43/946635043.db2.gz RBQPPGIGFXDCHD-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573523433 946636447 /nfs/dbraw/zinc/63/64/47/946636447.db2.gz RKEVZQYFBVWJJJ-RYUDHWBXSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573523433 946636442 /nfs/dbraw/zinc/63/64/42/946636442.db2.gz RKEVZQYFBVWJJJ-RYUDHWBXSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573523590 946636788 /nfs/dbraw/zinc/63/67/88/946636788.db2.gz SHBPMETXCHTSQF-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573523590 946636781 /nfs/dbraw/zinc/63/67/81/946636781.db2.gz SHBPMETXCHTSQF-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573523592 946636200 /nfs/dbraw/zinc/63/62/00/946636200.db2.gz SHBPMETXCHTSQF-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573523592 946636194 /nfs/dbraw/zinc/63/61/94/946636194.db2.gz SHBPMETXCHTSQF-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573523606 946637170 /nfs/dbraw/zinc/63/71/70/946637170.db2.gz SPWXCXQPXYVDEF-GFCCVEGCSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573523606 946637165 /nfs/dbraw/zinc/63/71/65/946637165.db2.gz SPWXCXQPXYVDEF-GFCCVEGCSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573523608 946636477 /nfs/dbraw/zinc/63/64/77/946636477.db2.gz SPWXCXQPXYVDEF-LBPRGKRZSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573523608 946636473 /nfs/dbraw/zinc/63/64/73/946636473.db2.gz SPWXCXQPXYVDEF-LBPRGKRZSA-N -1 1 387.448 -0.178 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573523634 946636865 /nfs/dbraw/zinc/63/68/65/946636865.db2.gz TUGUMIRKEZRFKE-JTQLQIEISA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573523636 946637436 /nfs/dbraw/zinc/63/74/36/946637436.db2.gz TUGUMIRKEZRFKE-SNVBAGLBSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573523652 946636824 /nfs/dbraw/zinc/63/68/24/946636824.db2.gz UGPHZPGCQOEROR-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573523652 946636820 /nfs/dbraw/zinc/63/68/20/946636820.db2.gz UGPHZPGCQOEROR-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573523682 946637026 /nfs/dbraw/zinc/63/70/26/946637026.db2.gz UVHDZQODINFUFK-LLVKDONJSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573523682 946637019 /nfs/dbraw/zinc/63/70/19/946637019.db2.gz UVHDZQODINFUFK-LLVKDONJSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573523685 946636691 /nfs/dbraw/zinc/63/66/91/946636691.db2.gz UVHDZQODINFUFK-NSHDSACASA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573523685 946636682 /nfs/dbraw/zinc/63/66/82/946636682.db2.gz UVHDZQODINFUFK-NSHDSACASA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001573523696 946638959 /nfs/dbraw/zinc/63/89/59/946638959.db2.gz VTUSJCIBSHVAAO-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001573523696 946638952 /nfs/dbraw/zinc/63/89/52/946638952.db2.gz VTUSJCIBSHVAAO-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573523725 946638471 /nfs/dbraw/zinc/63/84/71/946638471.db2.gz WINJDJOPSBIALN-LLVKDONJSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573523725 946638459 /nfs/dbraw/zinc/63/84/59/946638459.db2.gz WINJDJOPSBIALN-LLVKDONJSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573523728 946639371 /nfs/dbraw/zinc/63/93/71/946639371.db2.gz WINJDJOPSBIALN-NSHDSACASA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573523728 946639366 /nfs/dbraw/zinc/63/93/66/946639366.db2.gz WINJDJOPSBIALN-NSHDSACASA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573523743 946639084 /nfs/dbraw/zinc/63/90/84/946639084.db2.gz WKVSOQAGHIFTCU-GFCCVEGCSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573523744 946639333 /nfs/dbraw/zinc/63/93/33/946639333.db2.gz WKVSOQAGHIFTCU-LBPRGKRZSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573523951 946640582 /nfs/dbraw/zinc/64/05/82/946640582.db2.gz YMQYJYHFMBUPKW-UHFFFAOYSA-N -1 1 375.437 -0.286 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573523951 946640577 /nfs/dbraw/zinc/64/05/77/946640577.db2.gz YMQYJYHFMBUPKW-UHFFFAOYSA-N -1 1 375.437 -0.286 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573523995 946641396 /nfs/dbraw/zinc/64/13/96/946641396.db2.gz ZEVORRADZUXKOQ-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573523995 946641390 /nfs/dbraw/zinc/64/13/90/946641390.db2.gz ZEVORRADZUXKOQ-GFCCVEGCSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573523997 946641980 /nfs/dbraw/zinc/64/19/80/946641980.db2.gz ZEVORRADZUXKOQ-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573523997 946641975 /nfs/dbraw/zinc/64/19/75/946641975.db2.gz ZEVORRADZUXKOQ-LBPRGKRZSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573524114 946641378 /nfs/dbraw/zinc/64/13/78/946641378.db2.gz ZZBOPNDPMAVFBT-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573524114 946641372 /nfs/dbraw/zinc/64/13/72/946641372.db2.gz ZZBOPNDPMAVFBT-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573527500 946642764 /nfs/dbraw/zinc/64/27/64/946642764.db2.gz AHKZHMYFQJYLFY-GFCCVEGCSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573527500 946642759 /nfs/dbraw/zinc/64/27/59/946642759.db2.gz AHKZHMYFQJYLFY-GFCCVEGCSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573527501 946643832 /nfs/dbraw/zinc/64/38/32/946643832.db2.gz AHKZHMYFQJYLFY-LBPRGKRZSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573527501 946643825 /nfs/dbraw/zinc/64/38/25/946643825.db2.gz AHKZHMYFQJYLFY-LBPRGKRZSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573527520 946644261 /nfs/dbraw/zinc/64/42/61/946644261.db2.gz BLTVKFTYCISOII-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573527520 946644253 /nfs/dbraw/zinc/64/42/53/946644253.db2.gz BLTVKFTYCISOII-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573527521 946643204 /nfs/dbraw/zinc/64/32/04/946643204.db2.gz BLTVKFTYCISOII-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573527521 946643197 /nfs/dbraw/zinc/64/31/97/946643197.db2.gz BLTVKFTYCISOII-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573527535 946643345 /nfs/dbraw/zinc/64/33/45/946643345.db2.gz BVIHULGRQZJVSF-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573527535 946643338 /nfs/dbraw/zinc/64/33/38/946643338.db2.gz BVIHULGRQZJVSF-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573527540 946642978 /nfs/dbraw/zinc/64/29/78/946642978.db2.gz CCZGOKOBWZSLAT-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573527540 946642974 /nfs/dbraw/zinc/64/29/74/946642974.db2.gz CCZGOKOBWZSLAT-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573527541 946644182 /nfs/dbraw/zinc/64/41/82/946644182.db2.gz CCZGOKOBWZSLAT-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573527541 946644173 /nfs/dbraw/zinc/64/41/73/946644173.db2.gz CCZGOKOBWZSLAT-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573527564 946642855 /nfs/dbraw/zinc/64/28/55/946642855.db2.gz CTXHPFJQXKKXIY-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573527564 946642847 /nfs/dbraw/zinc/64/28/47/946642847.db2.gz CTXHPFJQXKKXIY-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573527570 946644152 /nfs/dbraw/zinc/64/41/52/946644152.db2.gz DCPOTWHTBMYBKE-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573527570 946644141 /nfs/dbraw/zinc/64/41/41/946644141.db2.gz DCPOTWHTBMYBKE-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001573527701 946645230 /nfs/dbraw/zinc/64/52/30/946645230.db2.gz FDKJRCJRUMYAJL-PWSUYJOCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001573527701 946645225 /nfs/dbraw/zinc/64/52/25/946645225.db2.gz FDKJRCJRUMYAJL-PWSUYJOCSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573527707 946647027 /nfs/dbraw/zinc/64/70/27/946647027.db2.gz FJNJGVNCIFBCKA-JTQLQIEISA-N -1 1 375.437 -0.595 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573527708 946645240 /nfs/dbraw/zinc/64/52/40/946645240.db2.gz FJNJGVNCIFBCKA-SNVBAGLBSA-N -1 1 375.437 -0.595 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573527736 946645709 /nfs/dbraw/zinc/64/57/09/946645709.db2.gz GJRIFZQCJFKDRH-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573527736 946645705 /nfs/dbraw/zinc/64/57/05/946645705.db2.gz GJRIFZQCJFKDRH-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573527737 946646147 /nfs/dbraw/zinc/64/61/47/946646147.db2.gz GJRIFZQCJFKDRH-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573527737 946646139 /nfs/dbraw/zinc/64/61/39/946646139.db2.gz GJRIFZQCJFKDRH-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573527738 946645792 /nfs/dbraw/zinc/64/57/92/946645792.db2.gz GKEWORFBYVRSTI-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573527739 946645724 /nfs/dbraw/zinc/64/57/24/946645724.db2.gz GLRXMSKSUGDJBZ-TXEJJXNPSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573527740 946646160 /nfs/dbraw/zinc/64/61/60/946646160.db2.gz GLRXMSKSUGDJBZ-UHFFFAOYSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573527774 946649003 /nfs/dbraw/zinc/64/90/03/946649003.db2.gz HSEAHBOBJOPHKE-PJXYFTJBSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573527775 946647922 /nfs/dbraw/zinc/64/79/22/946647922.db2.gz HSJAHVNWYQPBMA-YABSGUDNSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573527775 946647912 /nfs/dbraw/zinc/64/79/12/946647912.db2.gz HSJAHVNWYQPBMA-YABSGUDNSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001573527789 946648152 /nfs/dbraw/zinc/64/81/52/946648152.db2.gz IHBZUNHPJNANGE-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001573527789 946648144 /nfs/dbraw/zinc/64/81/44/946648144.db2.gz IHBZUNHPJNANGE-ZYHUDNBSSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573527801 946648820 /nfs/dbraw/zinc/64/88/20/946648820.db2.gz IHVDTCQKVGHJGR-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573527801 946648818 /nfs/dbraw/zinc/64/88/18/946648818.db2.gz IHVDTCQKVGHJGR-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573527803 946647706 /nfs/dbraw/zinc/64/77/06/946647706.db2.gz 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CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573527875 946651165 /nfs/dbraw/zinc/65/11/65/946651165.db2.gz KOKQKJKCHUMYFB-GFCCVEGCSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573527875 946651161 /nfs/dbraw/zinc/65/11/61/946651161.db2.gz KOKQKJKCHUMYFB-GFCCVEGCSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573527876 946651009 /nfs/dbraw/zinc/65/10/09/946651009.db2.gz KOKQKJKCHUMYFB-LBPRGKRZSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573527876 946651006 /nfs/dbraw/zinc/65/10/06/946651006.db2.gz KOKQKJKCHUMYFB-LBPRGKRZSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001573527900 946650946 /nfs/dbraw/zinc/65/09/46/946650946.db2.gz LITIEZGLVFRVPC-ZWNOBZJWSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001573527900 946650942 /nfs/dbraw/zinc/65/09/42/946650942.db2.gz LITIEZGLVFRVPC-ZWNOBZJWSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573527901 946650524 /nfs/dbraw/zinc/65/05/24/946650524.db2.gz LKNZYWWHHLSJDJ-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573527902 946651062 /nfs/dbraw/zinc/65/10/62/946651062.db2.gz LKNZYWWHHLSJDJ-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573527931 946650741 /nfs/dbraw/zinc/65/07/41/946650741.db2.gz LYTBSWOMVCQLMH-GFCCVEGCSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573527932 946650855 /nfs/dbraw/zinc/65/08/55/946650855.db2.gz LYTBSWOMVCQLMH-LBPRGKRZSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573527939 946651152 /nfs/dbraw/zinc/65/11/52/946651152.db2.gz MHEHQHBXHGMYTL-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573527939 946651148 /nfs/dbraw/zinc/65/11/48/946651148.db2.gz MHEHQHBXHGMYTL-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573527940 946651281 /nfs/dbraw/zinc/65/12/81/946651281.db2.gz MHEHQHBXHGMYTL-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573527940 946651279 /nfs/dbraw/zinc/65/12/79/946651279.db2.gz MHEHQHBXHGMYTL-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573527950 946652759 /nfs/dbraw/zinc/65/27/59/946652759.db2.gz MXKLLOSLLRFJHK-GFCCVEGCSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573527950 946652751 /nfs/dbraw/zinc/65/27/51/946652751.db2.gz MXKLLOSLLRFJHK-GFCCVEGCSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573527951 946653015 /nfs/dbraw/zinc/65/30/15/946653015.db2.gz MXKLLOSLLRFJHK-LBPRGKRZSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573527951 946653010 /nfs/dbraw/zinc/65/30/10/946653010.db2.gz MXKLLOSLLRFJHK-LBPRGKRZSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573527998 946652402 /nfs/dbraw/zinc/65/24/02/946652402.db2.gz OROBQNMMBGNEMJ-UHFFFAOYSA-N -1 1 375.437 -0.320 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573527998 946652393 /nfs/dbraw/zinc/65/23/93/946652393.db2.gz OROBQNMMBGNEMJ-UHFFFAOYSA-N -1 1 375.437 -0.320 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001573528024 946655378 /nfs/dbraw/zinc/65/53/78/946655378.db2.gz PQLRIKVVLJZSGN-UHFFFAOYSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573528030 946654280 /nfs/dbraw/zinc/65/42/80/946654280.db2.gz QBQNPGPPZFLYEM-YABSGUDNSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573528030 946654271 /nfs/dbraw/zinc/65/42/71/946654271.db2.gz QBQNPGPPZFLYEM-YABSGUDNSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573528033 946655365 /nfs/dbraw/zinc/65/53/65/946655365.db2.gz QEDIXUNEOYJFFR-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573528033 946655360 /nfs/dbraw/zinc/65/53/60/946655360.db2.gz QEDIXUNEOYJFFR-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573528034 946654592 /nfs/dbraw/zinc/65/45/92/946654592.db2.gz QEDIXUNEOYJFFR-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573528034 946654584 /nfs/dbraw/zinc/65/45/84/946654584.db2.gz QEDIXUNEOYJFFR-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573528043 946655115 /nfs/dbraw/zinc/65/51/15/946655115.db2.gz QQEASTYCRMUEPW-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573528043 946655106 /nfs/dbraw/zinc/65/51/06/946655106.db2.gz QQEASTYCRMUEPW-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573528044 946654984 /nfs/dbraw/zinc/65/49/84/946654984.db2.gz QQEASTYCRMUEPW-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573528044 946654974 /nfs/dbraw/zinc/65/49/74/946654974.db2.gz QQEASTYCRMUEPW-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573528060 946655480 /nfs/dbraw/zinc/65/54/80/946655480.db2.gz RUMDHJRATQXYDS-ZWNOBZJWSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573528060 946655475 /nfs/dbraw/zinc/65/54/75/946655475.db2.gz RUMDHJRATQXYDS-ZWNOBZJWSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573528126 946658054 /nfs/dbraw/zinc/65/80/54/946658054.db2.gz VPAWPGDAZWQLSL-GFCCVEGCSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573528127 946656666 /nfs/dbraw/zinc/65/66/66/946656666.db2.gz VPAWPGDAZWQLSL-LBPRGKRZSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573528140 946657380 /nfs/dbraw/zinc/65/73/80/946657380.db2.gz VWBBGZFESSDKQF-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573528140 946657376 /nfs/dbraw/zinc/65/73/76/946657376.db2.gz VWBBGZFESSDKQF-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573528148 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946663584 /nfs/dbraw/zinc/66/35/84/946663584.db2.gz GKLBBXUZRPAUIK-JTQLQIEISA-N -1 1 385.475 -0.239 20 0 GBADMM CC(=O)NCC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CCS1(=O)=O ZINC001573528696 946664782 /nfs/dbraw/zinc/66/47/82/946664782.db2.gz GKLBBXUZRPAUIK-SNVBAGLBSA-N -1 1 385.475 -0.239 20 0 GBADMM CC(=O)NC[C@H]1CCCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573529367 946672967 /nfs/dbraw/zinc/67/29/67/946672967.db2.gz FKKUBVXNWRSJQV-LLVKDONJSA-N -1 1 390.404 -0.964 20 0 GBADMM CC(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573529368 946674077 /nfs/dbraw/zinc/67/40/77/946674077.db2.gz FKKUBVXNWRSJQV-NSHDSACASA-N -1 1 390.404 -0.964 20 0 GBADMM CC(=O)NC[C@@H]1CN(c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001573529523 946676465 /nfs/dbraw/zinc/67/64/65/946676465.db2.gz NKJDTQZMSOAWDC-CYBMUJFWSA-N -1 1 387.404 -0.251 20 0 GBADMM CC(=O)NC[C@@H]1CN(c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001573529523 946676460 /nfs/dbraw/zinc/67/64/60/946676460.db2.gz NKJDTQZMSOAWDC-CYBMUJFWSA-N -1 1 387.404 -0.251 20 0 GBADMM CC(=O)NC[C@H]1CN(c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001573529527 946675286 /nfs/dbraw/zinc/67/52/86/946675286.db2.gz NKJDTQZMSOAWDC-ZDUSSCGKSA-N -1 1 387.404 -0.251 20 0 GBADMM CC(=O)NC[C@H]1CN(c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001573529527 946675277 /nfs/dbraw/zinc/67/52/77/946675277.db2.gz NKJDTQZMSOAWDC-ZDUSSCGKSA-N -1 1 387.404 -0.251 20 0 GBADMM CC(=O)NCCCCCC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573530148 946687138 /nfs/dbraw/zinc/68/71/38/946687138.db2.gz URTNUWATGHXXKD-UHFFFAOYSA-N -1 1 390.404 -0.791 20 0 GBADMM CC(=O)NCC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCS1(=O)=O ZINC001573530184 946688631 /nfs/dbraw/zinc/68/86/31/946688631.db2.gz VVOGNPFWACWHNG-LLVKDONJSA-N -1 1 380.434 -0.905 20 0 GBADMM CC(=O)NCC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001573530184 946688622 /nfs/dbraw/zinc/68/86/22/946688622.db2.gz VVOGNPFWACWHNG-LLVKDONJSA-N -1 1 380.434 -0.905 20 0 GBADMM CC(=O)NCC[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCS1(=O)=O ZINC001573530185 946687114 /nfs/dbraw/zinc/68/71/14/946687114.db2.gz VVOGNPFWACWHNG-NSHDSACASA-N -1 1 380.434 -0.905 20 0 GBADMM CC(=O)NCC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001573530185 946687106 /nfs/dbraw/zinc/68/71/06/946687106.db2.gz VVOGNPFWACWHNG-NSHDSACASA-N -1 1 380.434 -0.905 20 0 GBADMM CC(=O)NCc1ccc(C(=O)Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)s1 ZINC001573533106 946708582 /nfs/dbraw/zinc/70/85/82/946708582.db2.gz HJWANXGWSSJZHB-UHFFFAOYSA-N -1 1 375.370 -0.291 20 0 GBADMM CC(=O)NCc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001573533493 946714500 /nfs/dbraw/zinc/71/45/00/946714500.db2.gz RYTIXJATHSTYKK-UHFFFAOYSA-N -1 1 384.356 -0.596 20 0 GBADMM CC(=O)NCCc1ccc(C(=O)Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc1 ZINC001573533654 946716953 /nfs/dbraw/zinc/71/69/53/946716953.db2.gz VVWHZQRZFNFIST-UHFFFAOYSA-N -1 1 383.368 -0.310 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)C ZINC001573535316 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/nfs/dbraw/zinc/72/32/45/946723245.db2.gz DGNAVTJSPWOUEL-QMTHXVAHSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573535378 946721479 /nfs/dbraw/zinc/72/14/79/946721479.db2.gz DMFIXBHXTZOHEZ-GXTWGEPZSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573535380 946722052 /nfs/dbraw/zinc/72/20/52/946722052.db2.gz DMFIXBHXTZOHEZ-TZMCWYRMSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC001573535391 946722554 /nfs/dbraw/zinc/72/25/54/946722554.db2.gz DTNOMNMDJOZCCD-OAHLLOKOSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC001573535391 946722537 /nfs/dbraw/zinc/72/25/37/946722537.db2.gz DTNOMNMDJOZCCD-OAHLLOKOSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573535400 946721920 /nfs/dbraw/zinc/72/19/20/946721920.db2.gz FGPPYFDYVKQJAC-OAHLLOKOSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)C ZINC001573535400 946721911 /nfs/dbraw/zinc/72/19/11/946721911.db2.gz FGPPYFDYVKQJAC-OAHLLOKOSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573535404 946721518 /nfs/dbraw/zinc/72/15/18/946721518.db2.gz FIOUNGYCWKTRSM-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573535404 946721509 /nfs/dbraw/zinc/72/15/09/946721509.db2.gz FIOUNGYCWKTRSM-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573535405 946723070 /nfs/dbraw/zinc/72/30/70/946723070.db2.gz FIOUNGYCWKTRSM-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573535405 946723061 /nfs/dbraw/zinc/72/30/61/946723061.db2.gz FIOUNGYCWKTRSM-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573535409 946723169 /nfs/dbraw/zinc/72/31/69/946723169.db2.gz FLPMIGBEVFHIRH-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573535409 946723161 /nfs/dbraw/zinc/72/31/61/946723161.db2.gz FLPMIGBEVFHIRH-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573535700 946725585 /nfs/dbraw/zinc/72/55/85/946725585.db2.gz GTFWTAFQWUEUDO-CYBMUJFWSA-N -1 1 375.437 -0.322 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573535700 946725575 /nfs/dbraw/zinc/72/55/75/946725575.db2.gz GTFWTAFQWUEUDO-CYBMUJFWSA-N -1 1 375.437 -0.322 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573535732 946724933 /nfs/dbraw/zinc/72/49/33/946724933.db2.gz IIAWQKXTVZVXMM-ORHYLEIMSA-N -1 1 387.448 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573535733 946725328 /nfs/dbraw/zinc/72/53/28/946725328.db2.gz IIAWQKXTVZVXMM-YRGRVCCFSA-N -1 1 387.448 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573535735 946725259 /nfs/dbraw/zinc/72/52/59/946725259.db2.gz INWUDHNTZVPTIY-IINYFYTJSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573535735 946725252 /nfs/dbraw/zinc/72/52/52/946725252.db2.gz INWUDHNTZVPTIY-IINYFYTJSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573535736 946723868 /nfs/dbraw/zinc/72/38/68/946723868.db2.gz INWUDHNTZVPTIY-QMTHXVAHSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573535736 946723857 /nfs/dbraw/zinc/72/38/57/946723857.db2.gz INWUDHNTZVPTIY-QMTHXVAHSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573535739 946725858 /nfs/dbraw/zinc/72/58/58/946725858.db2.gz IRDOCGBIFPIENO-GXFFZTMASA-N -1 1 375.437 -0.597 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573535742 946724168 /nfs/dbraw/zinc/72/41/68/946724168.db2.gz IRDOCGBIFPIENO-ZWNOBZJWSA-N -1 1 375.437 -0.597 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C)C(C)C ZINC001573535804 946723745 /nfs/dbraw/zinc/72/37/45/946723745.db2.gz JOKSXCVZXVIPLV-GXTWGEPZSA-N -1 1 389.464 -0.208 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C)C(C)C ZINC001573535805 946725623 /nfs/dbraw/zinc/72/56/23/946725623.db2.gz JOKSXCVZXVIPLV-TZMCWYRMSA-N -1 1 389.464 -0.208 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)C ZINC001573535834 946726744 /nfs/dbraw/zinc/72/67/44/946726744.db2.gz KKADRYKOXCNPRK-CQSZACIVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573535932 946728010 /nfs/dbraw/zinc/72/80/10/946728010.db2.gz LIINMBWVIZSLHU-IUODEOHRSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573535932 946727999 /nfs/dbraw/zinc/72/79/99/946727999.db2.gz LIINMBWVIZSLHU-IUODEOHRSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573535933 946727484 /nfs/dbraw/zinc/72/74/84/946727484.db2.gz LIINMBWVIZSLHU-SWLSCSKDSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573535933 946727473 /nfs/dbraw/zinc/72/74/73/946727473.db2.gz LIINMBWVIZSLHU-SWLSCSKDSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573535976 946727940 /nfs/dbraw/zinc/72/79/40/946727940.db2.gz MIGDODKLYXDFEE-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573535976 946727927 /nfs/dbraw/zinc/72/79/27/946727927.db2.gz MIGDODKLYXDFEE-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573535977 946726630 /nfs/dbraw/zinc/72/66/30/946726630.db2.gz MIGDODKLYXDFEE-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573535977 946726619 /nfs/dbraw/zinc/72/66/19/946726619.db2.gz MIGDODKLYXDFEE-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536011 946730838 /nfs/dbraw/zinc/73/08/38/946730838.db2.gz NXJBTQKDYGHEDD-CMPLNLGQSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536011 946730827 /nfs/dbraw/zinc/73/08/27/946730827.db2.gz NXJBTQKDYGHEDD-CMPLNLGQSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536012 946729778 /nfs/dbraw/zinc/72/97/78/946729778.db2.gz NXJBTQKDYGHEDD-ZYHUDNBSSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536012 946729771 /nfs/dbraw/zinc/72/97/71/946729771.db2.gz NXJBTQKDYGHEDD-ZYHUDNBSSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536014 946729077 /nfs/dbraw/zinc/72/90/77/946729077.db2.gz NYSPLQCMZMRAQO-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536014 946729069 /nfs/dbraw/zinc/72/90/69/946729069.db2.gz NYSPLQCMZMRAQO-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536015 946730866 /nfs/dbraw/zinc/73/08/66/946730866.db2.gz NYSPLQCMZMRAQO-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536015 946730858 /nfs/dbraw/zinc/73/08/58/946730858.db2.gz NYSPLQCMZMRAQO-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(C)C ZINC001573536032 946729740 /nfs/dbraw/zinc/72/97/40/946729740.db2.gz OGNUJMHAGVWRKR-MPKXVKKWSA-N -1 1 387.448 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536036 946730154 /nfs/dbraw/zinc/73/01/54/946730154.db2.gz OJARBHNAHUQERD-GXTWGEPZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536037 946730246 /nfs/dbraw/zinc/73/02/46/946730246.db2.gz OJARBHNAHUQERD-TZMCWYRMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(C)C ZINC001573536046 946729555 /nfs/dbraw/zinc/72/95/55/946729555.db2.gz OPYXDPQSYPMPRC-BVIHXZOGSA-N -1 1 385.432 -0.632 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(C)C ZINC001573536046 946729540 /nfs/dbraw/zinc/72/95/40/946729540.db2.gz OPYXDPQSYPMPRC-BVIHXZOGSA-N -1 1 385.432 -0.632 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536083 946730736 /nfs/dbraw/zinc/73/07/36/946730736.db2.gz OTYDUBYXWMEOOU-IUODEOHRSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536083 946730726 /nfs/dbraw/zinc/73/07/26/946730726.db2.gz OTYDUBYXWMEOOU-IUODEOHRSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536085 946729377 /nfs/dbraw/zinc/72/93/77/946729377.db2.gz OTYDUBYXWMEOOU-SWLSCSKDSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536085 946729369 /nfs/dbraw/zinc/72/93/69/946729369.db2.gz OTYDUBYXWMEOOU-SWLSCSKDSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)C(C)C ZINC001573536103 946730552 /nfs/dbraw/zinc/73/05/52/946730552.db2.gz PCXHMGBUIMXBFQ-CYBMUJFWSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536104 946729114 /nfs/dbraw/zinc/72/91/14/946729114.db2.gz PDOKJLYWSCKFHK-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536104 946729109 /nfs/dbraw/zinc/72/91/09/946729109.db2.gz PDOKJLYWSCKFHK-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536105 946730434 /nfs/dbraw/zinc/73/04/34/946730434.db2.gz PDOKJLYWSCKFHK-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536105 946730426 /nfs/dbraw/zinc/73/04/26/946730426.db2.gz PDOKJLYWSCKFHK-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C(C)C ZINC001573536115 946730410 /nfs/dbraw/zinc/73/04/10/946730410.db2.gz PIGDQPFKOGRKEV-WDBKCZKBSA-N -1 1 387.448 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C(C)C ZINC001573536115 946730401 /nfs/dbraw/zinc/73/04/01/946730401.db2.gz PIGDQPFKOGRKEV-WDBKCZKBSA-N -1 1 387.448 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573536118 946730312 /nfs/dbraw/zinc/73/03/12/946730312.db2.gz PKSFOIPXDFGYIY-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573536118 946730302 /nfs/dbraw/zinc/73/03/02/946730302.db2.gz PKSFOIPXDFGYIY-IUODEOHRSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573536120 946730454 /nfs/dbraw/zinc/73/04/54/946730454.db2.gz PKSFOIPXDFGYIY-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573536120 946730446 /nfs/dbraw/zinc/73/04/46/946730446.db2.gz PKSFOIPXDFGYIY-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)C(C)C ZINC001573536152 946733093 /nfs/dbraw/zinc/73/30/93/946733093.db2.gz QEWBIVXYFRLRJR-IFUGULHKSA-N -1 1 387.448 -0.099 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)C(C)C ZINC001573536152 946733084 /nfs/dbraw/zinc/73/30/84/946733084.db2.gz QEWBIVXYFRLRJR-IFUGULHKSA-N -1 1 387.448 -0.099 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573536153 946732923 /nfs/dbraw/zinc/73/29/23/946732923.db2.gz QKPXFCNZAKQMGS-GXFFZTMASA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573536154 946732081 /nfs/dbraw/zinc/73/20/81/946732081.db2.gz QKPXFCNZAKQMGS-ZWNOBZJWSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(C)C ZINC001573536159 946733758 /nfs/dbraw/zinc/73/37/58/946733758.db2.gz QNQVAKBTWXZAGT-WDBKCZKBSA-N -1 1 387.448 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(C)C ZINC001573536159 946733737 /nfs/dbraw/zinc/73/37/37/946733737.db2.gz QNQVAKBTWXZAGT-WDBKCZKBSA-N -1 1 387.448 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)C(C)C ZINC001573536183 946733667 /nfs/dbraw/zinc/73/36/67/946733667.db2.gz RJBAEMDDROYZNQ-IFUGULHKSA-N -1 1 387.448 -0.099 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)C(C)C ZINC001573536183 946733655 /nfs/dbraw/zinc/73/36/55/946733655.db2.gz RJBAEMDDROYZNQ-IFUGULHKSA-N -1 1 387.448 -0.099 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536190 946732207 /nfs/dbraw/zinc/73/22/07/946732207.db2.gz RRSVSVQKMRPKPK-IUODEOHRSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536190 946732203 /nfs/dbraw/zinc/73/22/03/946732203.db2.gz RRSVSVQKMRPKPK-IUODEOHRSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536191 946732762 /nfs/dbraw/zinc/73/27/62/946732762.db2.gz RRSVSVQKMRPKPK-SWLSCSKDSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536191 946732754 /nfs/dbraw/zinc/73/27/54/946732754.db2.gz RRSVSVQKMRPKPK-SWLSCSKDSA-N -1 1 387.448 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(C)C ZINC001573536221 946732335 /nfs/dbraw/zinc/73/23/35/946732335.db2.gz SKICHTRMZXBHSW-BVIHXZOGSA-N -1 1 385.432 -0.632 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(C)C ZINC001573536221 946732329 /nfs/dbraw/zinc/73/23/29/946732329.db2.gz SKICHTRMZXBHSW-BVIHXZOGSA-N -1 1 385.432 -0.632 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC001573536312 946732317 /nfs/dbraw/zinc/73/23/17/946732317.db2.gz SOKOZISTYHOMIC-RAIGVLPGSA-N -1 1 387.448 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC001573536312 946732312 /nfs/dbraw/zinc/73/23/12/946732312.db2.gz SOKOZISTYHOMIC-RAIGVLPGSA-N -1 1 387.448 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573536335 946732044 /nfs/dbraw/zinc/73/20/44/946732044.db2.gz SWGSWBJAFFOUTP-GXFFZTMASA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)C ZINC001573536343 946736291 /nfs/dbraw/zinc/73/62/91/946736291.db2.gz TWLHPRURBLLPEO-OAHLLOKOSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)C ZINC001573536343 946736279 /nfs/dbraw/zinc/73/62/79/946736279.db2.gz TWLHPRURBLLPEO-OAHLLOKOSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(C)C ZINC001573536356 946735187 /nfs/dbraw/zinc/73/51/87/946735187.db2.gz UCNRMNAZORQISX-XQHKEYJVSA-N -1 1 385.432 -0.632 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(C)C ZINC001573536356 946735177 /nfs/dbraw/zinc/73/51/77/946735177.db2.gz UCNRMNAZORQISX-XQHKEYJVSA-N -1 1 385.432 -0.632 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)C ZINC001573536385 946735273 /nfs/dbraw/zinc/73/52/73/946735273.db2.gz VLSDHXBKQCOTOL-CYBMUJFWSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)C ZINC001573536385 946735257 /nfs/dbraw/zinc/73/52/57/946735257.db2.gz VLSDHXBKQCOTOL-CYBMUJFWSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536404 946735968 /nfs/dbraw/zinc/73/59/68/946735968.db2.gz WHOMDLNQYZDLFI-IINYFYTJSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536404 946735957 /nfs/dbraw/zinc/73/59/57/946735957.db2.gz WHOMDLNQYZDLFI-IINYFYTJSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536405 946734543 /nfs/dbraw/zinc/73/45/43/946734543.db2.gz WHOMDLNQYZDLFI-QMTHXVAHSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536405 946734541 /nfs/dbraw/zinc/73/45/41/946734541.db2.gz WHOMDLNQYZDLFI-QMTHXVAHSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536421 946734692 /nfs/dbraw/zinc/73/46/92/946734692.db2.gz WUQLRCMYBSVXCV-CMPLNLGQSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536421 946734688 /nfs/dbraw/zinc/73/46/88/946734688.db2.gz WUQLRCMYBSVXCV-CMPLNLGQSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536422 946734916 /nfs/dbraw/zinc/73/49/16/946734916.db2.gz WUQLRCMYBSVXCV-ZYHUDNBSSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536422 946734900 /nfs/dbraw/zinc/73/49/00/946734900.db2.gz WUQLRCMYBSVXCV-ZYHUDNBSSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536424 946734766 /nfs/dbraw/zinc/73/47/66/946734766.db2.gz XAKKHBAVTXUXGK-GXTWGEPZSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536424 946734753 /nfs/dbraw/zinc/73/47/53/946734753.db2.gz XAKKHBAVTXUXGK-GXTWGEPZSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536425 946734443 /nfs/dbraw/zinc/73/44/43/946734443.db2.gz XAKKHBAVTXUXGK-TZMCWYRMSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536425 946734442 /nfs/dbraw/zinc/73/44/42/946734442.db2.gz XAKKHBAVTXUXGK-TZMCWYRMSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573536426 946735993 /nfs/dbraw/zinc/73/59/93/946735993.db2.gz XARRBKCTCXYBET-CQSZACIVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)C(C)C ZINC001573536428 946737867 /nfs/dbraw/zinc/73/78/67/946737867.db2.gz XDOYTSNIOICDHH-IFUGULHKSA-N -1 1 387.448 -0.099 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)C(C)C ZINC001573536428 946737858 /nfs/dbraw/zinc/73/78/58/946737858.db2.gz XDOYTSNIOICDHH-IFUGULHKSA-N -1 1 387.448 -0.099 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573536529 946737530 /nfs/dbraw/zinc/73/75/30/946737530.db2.gz XFAJEVAAVYMLSE-IINYFYTJSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573536529 946737517 /nfs/dbraw/zinc/73/75/17/946737517.db2.gz XFAJEVAAVYMLSE-IINYFYTJSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573536530 946737634 /nfs/dbraw/zinc/73/76/34/946737634.db2.gz XFAJEVAAVYMLSE-QMTHXVAHSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573536530 946737626 /nfs/dbraw/zinc/73/76/26/946737626.db2.gz XFAJEVAAVYMLSE-QMTHXVAHSA-N -1 1 375.437 -0.018 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)C ZINC001573536540 946738663 /nfs/dbraw/zinc/73/86/63/946738663.db2.gz XILHMCONRYYCGN-OAHLLOKOSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)C ZINC001573536540 946738655 /nfs/dbraw/zinc/73/86/55/946738655.db2.gz XILHMCONRYYCGN-OAHLLOKOSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536562 946738427 /nfs/dbraw/zinc/73/84/27/946738427.db2.gz XOYQZCLWWBDXMA-YRGRVCCFSA-N -1 1 387.448 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573536563 946737149 /nfs/dbraw/zinc/73/71/49/946737149.db2.gz XPEOAKFEOVITBO-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573536563 946737144 /nfs/dbraw/zinc/73/71/44/946737144.db2.gz XPEOAKFEOVITBO-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573536564 946737062 /nfs/dbraw/zinc/73/70/62/946737062.db2.gz XPEOAKFEOVITBO-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573536564 946737058 /nfs/dbraw/zinc/73/70/58/946737058.db2.gz XPEOAKFEOVITBO-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(C)C ZINC001573536637 946737573 /nfs/dbraw/zinc/73/75/73/946737573.db2.gz ZUZUBHMUGKCTJF-WVWOOGAGSA-N -1 1 385.432 -0.632 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573536700 946739935 /nfs/dbraw/zinc/73/99/35/946739935.db2.gz AOEFZVLKZCKYCH-BXUZGUMPSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573536700 946739931 /nfs/dbraw/zinc/73/99/31/946739931.db2.gz AOEFZVLKZCKYCH-BXUZGUMPSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573536702 946739729 /nfs/dbraw/zinc/73/97/29/946739729.db2.gz AOEFZVLKZCKYCH-SMDDNHRTSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573536702 946739719 /nfs/dbraw/zinc/73/97/19/946739719.db2.gz AOEFZVLKZCKYCH-SMDDNHRTSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573536733 946739649 /nfs/dbraw/zinc/73/96/49/946739649.db2.gz BFIWMEQVSXPELA-GXFFZTMASA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573536734 946740112 /nfs/dbraw/zinc/74/01/12/946740112.db2.gz BFIWMEQVSXPELA-ZWNOBZJWSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536751 946739909 /nfs/dbraw/zinc/73/99/09/946739909.db2.gz CCEQYJKCGKLXJA-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536751 946739906 /nfs/dbraw/zinc/73/99/06/946739906.db2.gz CCEQYJKCGKLXJA-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536752 946741210 /nfs/dbraw/zinc/74/12/10/946741210.db2.gz CCEQYJKCGKLXJA-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536752 946741200 /nfs/dbraw/zinc/74/12/00/946741200.db2.gz CCEQYJKCGKLXJA-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536788 946739818 /nfs/dbraw/zinc/73/98/18/946739818.db2.gz DNQOBLOAFGKLSJ-BXUZGUMPSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536788 946739814 /nfs/dbraw/zinc/73/98/14/946739814.db2.gz DNQOBLOAFGKLSJ-BXUZGUMPSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536789 946740734 /nfs/dbraw/zinc/74/07/34/946740734.db2.gz DNQOBLOAFGKLSJ-SMDDNHRTSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536789 946740729 /nfs/dbraw/zinc/74/07/29/946740729.db2.gz DNQOBLOAFGKLSJ-SMDDNHRTSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536793 946740158 /nfs/dbraw/zinc/74/01/58/946740158.db2.gz DYAKQQVBNCNXFC-NWDGAFQWSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536793 946740153 /nfs/dbraw/zinc/74/01/53/946740153.db2.gz DYAKQQVBNCNXFC-NWDGAFQWSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536794 946740677 /nfs/dbraw/zinc/74/06/77/946740677.db2.gz DYAKQQVBNCNXFC-VXGBXAGGSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536794 946740669 /nfs/dbraw/zinc/74/06/69/946740669.db2.gz DYAKQQVBNCNXFC-VXGBXAGGSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573536833 946742061 /nfs/dbraw/zinc/74/20/61/946742061.db2.gz FLPMIGBEVFHIRH-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573536833 946742054 /nfs/dbraw/zinc/74/20/54/946742054.db2.gz FLPMIGBEVFHIRH-SWLSCSKDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573537050 946741836 /nfs/dbraw/zinc/74/18/36/946741836.db2.gz FWEKHOHCLUOKAG-CQSZACIVSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573537050 946741827 /nfs/dbraw/zinc/74/18/27/946741827.db2.gz FWEKHOHCLUOKAG-CQSZACIVSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537082 946742692 /nfs/dbraw/zinc/74/26/92/946742692.db2.gz GSGOBXGIKBOMPU-GXTWGEPZSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537083 946742670 /nfs/dbraw/zinc/74/26/70/946742670.db2.gz GSGOBXGIKBOMPU-TZMCWYRMSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537087 946742277 /nfs/dbraw/zinc/74/22/77/946742277.db2.gz GUUXVSDMPZDWGX-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537087 946742266 /nfs/dbraw/zinc/74/22/66/946742266.db2.gz GUUXVSDMPZDWGX-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537088 946742782 /nfs/dbraw/zinc/74/27/82/946742782.db2.gz GUUXVSDMPZDWGX-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537088 946742776 /nfs/dbraw/zinc/74/27/76/946742776.db2.gz GUUXVSDMPZDWGX-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537091 946742992 /nfs/dbraw/zinc/74/29/92/946742992.db2.gz GWYDDNGNRBBBDT-GXTWGEPZSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537092 946743116 /nfs/dbraw/zinc/74/31/16/946743116.db2.gz GWYDDNGNRBBBDT-TZMCWYRMSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537104 946743459 /nfs/dbraw/zinc/74/34/59/946743459.db2.gz HMOKYEVZXMUSDR-GXFFZTMASA-N -1 1 375.437 -0.502 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537105 946742001 /nfs/dbraw/zinc/74/20/01/946742001.db2.gz HMOKYEVZXMUSDR-ZWNOBZJWSA-N -1 1 375.437 -0.502 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573537110 946745503 /nfs/dbraw/zinc/74/55/03/946745503.db2.gz HSCJPCGPMRHSMU-CQSZACIVSA-N -1 1 387.448 -0.226 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1)C(C)C ZINC001573537110 946745496 /nfs/dbraw/zinc/74/54/96/946745496.db2.gz HSCJPCGPMRHSMU-CQSZACIVSA-N -1 1 387.448 -0.226 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573537126 946744676 /nfs/dbraw/zinc/74/46/76/946744676.db2.gz IGEPITWOPIJPDT-CYBMUJFWSA-N -1 1 375.437 -0.004 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573537126 946744669 /nfs/dbraw/zinc/74/46/69/946744669.db2.gz IGEPITWOPIJPDT-CYBMUJFWSA-N -1 1 375.437 -0.004 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537139 946745581 /nfs/dbraw/zinc/74/55/81/946745581.db2.gz IWDRIBLXCXIKMN-GXTWGEPZSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537140 946744879 /nfs/dbraw/zinc/74/48/79/946744879.db2.gz IWDRIBLXCXIKMN-TZMCWYRMSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573537145 946745831 /nfs/dbraw/zinc/74/58/31/946745831.db2.gz JGFWFIJJUNPQDI-OAHLLOKOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)C ZINC001573537145 946745821 /nfs/dbraw/zinc/74/58/21/946745821.db2.gz JGFWFIJJUNPQDI-OAHLLOKOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537337 946744783 /nfs/dbraw/zinc/74/47/83/946744783.db2.gz KMIBGJCAMMWMMV-IINYFYTJSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537337 946744780 /nfs/dbraw/zinc/74/47/80/946744780.db2.gz KMIBGJCAMMWMMV-IINYFYTJSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537338 946744858 /nfs/dbraw/zinc/74/48/58/946744858.db2.gz KMIBGJCAMMWMMV-QMTHXVAHSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537338 946744851 /nfs/dbraw/zinc/74/48/51/946744851.db2.gz KMIBGJCAMMWMMV-QMTHXVAHSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)C ZINC001573537360 946748275 /nfs/dbraw/zinc/74/82/75/946748275.db2.gz LBBVAFFFFAECHI-CYBMUJFWSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)C ZINC001573537360 946748268 /nfs/dbraw/zinc/74/82/68/946748268.db2.gz LBBVAFFFFAECHI-CYBMUJFWSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537363 946746842 /nfs/dbraw/zinc/74/68/42/946746842.db2.gz LDESNGAWNLSGOL-CQSZACIVSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537363 946746834 /nfs/dbraw/zinc/74/68/34/946746834.db2.gz LDESNGAWNLSGOL-CQSZACIVSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537373 946748103 /nfs/dbraw/zinc/74/81/03/946748103.db2.gz LMTFDMPEZPGSQL-SGMGOOAPSA-N -1 1 385.432 -0.393 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537374 946747448 /nfs/dbraw/zinc/74/74/48/946747448.db2.gz LSALHJSCUWLZAA-CQSZACIVSA-N -1 1 375.437 -0.288 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537374 946747437 /nfs/dbraw/zinc/74/74/37/946747437.db2.gz LSALHJSCUWLZAA-CQSZACIVSA-N -1 1 375.437 -0.288 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573537383 946746749 /nfs/dbraw/zinc/74/67/49/946746749.db2.gz MLEMZIZUQXFOHO-GFCCVEGCSA-N -1 1 375.437 -0.288 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573537383 946746744 /nfs/dbraw/zinc/74/67/44/946746744.db2.gz MLEMZIZUQXFOHO-GFCCVEGCSA-N -1 1 375.437 -0.288 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573537389 946747574 /nfs/dbraw/zinc/74/75/74/946747574.db2.gz MUBZIPJAWIOYEK-CHWSQXEVSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573537389 946747566 /nfs/dbraw/zinc/74/75/66/946747566.db2.gz MUBZIPJAWIOYEK-CHWSQXEVSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573537390 946747044 /nfs/dbraw/zinc/74/70/44/946747044.db2.gz MUBZIPJAWIOYEK-QWHCGFSZSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573537390 946747038 /nfs/dbraw/zinc/74/70/38/946747038.db2.gz MUBZIPJAWIOYEK-QWHCGFSZSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573537395 946746793 /nfs/dbraw/zinc/74/67/93/946746793.db2.gz NBBJAYKMZSYFRF-SLEUVZQESA-N -1 1 385.432 -0.393 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573537395 946746789 /nfs/dbraw/zinc/74/67/89/946746789.db2.gz NBBJAYKMZSYFRF-SLEUVZQESA-N -1 1 385.432 -0.393 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573537398 946747119 /nfs/dbraw/zinc/74/71/19/946747119.db2.gz NFPCUZADVBVFRV-CMPLNLGQSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573537398 946747114 /nfs/dbraw/zinc/74/71/14/946747114.db2.gz NFPCUZADVBVFRV-CMPLNLGQSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573537399 946747704 /nfs/dbraw/zinc/74/77/04/946747704.db2.gz NFPCUZADVBVFRV-ZYHUDNBSSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573537399 946747695 /nfs/dbraw/zinc/74/76/95/946747695.db2.gz NFPCUZADVBVFRV-ZYHUDNBSSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573537403 946747299 /nfs/dbraw/zinc/74/72/99/946747299.db2.gz NGSHNMIJBAEOME-CHWSQXEVSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573537403 946747294 /nfs/dbraw/zinc/74/72/94/946747294.db2.gz NGSHNMIJBAEOME-CHWSQXEVSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573537404 946747103 /nfs/dbraw/zinc/74/71/03/946747103.db2.gz NGSHNMIJBAEOME-QWHCGFSZSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573537404 946747098 /nfs/dbraw/zinc/74/70/98/946747098.db2.gz NGSHNMIJBAEOME-QWHCGFSZSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573537417 946747729 /nfs/dbraw/zinc/74/77/29/946747729.db2.gz ADYOSLPDLIELID-ZDUSSCGKSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573537417 946747721 /nfs/dbraw/zinc/74/77/21/946747721.db2.gz ADYOSLPDLIELID-ZDUSSCGKSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573537421 946747775 /nfs/dbraw/zinc/74/77/75/946747775.db2.gz AHRZYGIVXHHHNP-GXFFZTMASA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@H](C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573537422 946747586 /nfs/dbraw/zinc/74/75/86/946747586.db2.gz AHRZYGIVXHHHNP-ZWNOBZJWSA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573537438 946749662 /nfs/dbraw/zinc/74/96/62/946749662.db2.gz AVFFHNIDWYDYIU-OLZOCXBDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573537438 946749654 /nfs/dbraw/zinc/74/96/54/946749654.db2.gz AVFFHNIDWYDYIU-OLZOCXBDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573537439 946750417 /nfs/dbraw/zinc/75/04/17/946750417.db2.gz AVFFHNIDWYDYIU-STQMWFEESA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573537439 946750409 /nfs/dbraw/zinc/75/04/09/946750409.db2.gz AVFFHNIDWYDYIU-STQMWFEESA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573537440 946750719 /nfs/dbraw/zinc/75/07/19/946750719.db2.gz AVFHYBGTAAAZBV-LBPRGKRZSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573537462 946750182 /nfs/dbraw/zinc/75/01/82/946750182.db2.gz CABJSCNWCPYRGX-LBPRGKRZSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573537462 946750175 /nfs/dbraw/zinc/75/01/75/946750175.db2.gz CABJSCNWCPYRGX-LBPRGKRZSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573537469 946749322 /nfs/dbraw/zinc/74/93/22/946749322.db2.gz CGDPVBZLRRFXCJ-AAEUAGOBSA-N -1 1 389.464 -0.206 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573537470 946749900 /nfs/dbraw/zinc/74/99/00/946749900.db2.gz CGDPVBZLRRFXCJ-YPMHNXCESA-N -1 1 389.464 -0.206 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573537480 946749344 /nfs/dbraw/zinc/74/93/44/946749344.db2.gz CVSCJFVCGOCSOY-AAEUAGOBSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573537481 946749468 /nfs/dbraw/zinc/74/94/68/946749468.db2.gz CVSCJFVCGOCSOY-YPMHNXCESA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573537503 946749851 /nfs/dbraw/zinc/74/98/51/946749851.db2.gz DVPYHQOVDIVRES-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573537503 946749845 /nfs/dbraw/zinc/74/98/45/946749845.db2.gz DVPYHQOVDIVRES-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573537513 946749486 /nfs/dbraw/zinc/74/94/86/946749486.db2.gz FITDKGCUILERPJ-AVGNSLFASA-N -1 1 387.448 -0.312 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573537514 946749991 /nfs/dbraw/zinc/74/99/91/946749991.db2.gz FITDKGCUILERPJ-XQQFMLRXSA-N -1 1 387.448 -0.312 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)C ZINC001573537546 946752989 /nfs/dbraw/zinc/75/29/89/946752989.db2.gz ODBRVSMBIAWONP-GXTWGEPZSA-N -1 1 387.448 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)C ZINC001573537547 946752759 /nfs/dbraw/zinc/75/27/59/946752759.db2.gz ODBRVSMBIAWONP-TZMCWYRMSA-N -1 1 387.448 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537549 946751654 /nfs/dbraw/zinc/75/16/54/946751654.db2.gz OEZPSMLVXLUMNE-SLEUVZQESA-N -1 1 385.432 -0.393 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537549 946751647 /nfs/dbraw/zinc/75/16/47/946751647.db2.gz OEZPSMLVXLUMNE-SLEUVZQESA-N -1 1 385.432 -0.393 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537561 946753693 /nfs/dbraw/zinc/75/36/93/946753693.db2.gz OVCAOJWOVJVUQV-MPKXVKKWSA-N -1 1 387.448 -0.502 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537575 946751807 /nfs/dbraw/zinc/75/18/07/946751807.db2.gz PHFRBBBXDGTRST-GXTWGEPZSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537576 946752637 /nfs/dbraw/zinc/75/26/37/946752637.db2.gz PHFRBBBXDGTRST-TZMCWYRMSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537581 946752059 /nfs/dbraw/zinc/75/20/59/946752059.db2.gz PJBSRNGRYRCHIC-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573537581 946752048 /nfs/dbraw/zinc/75/20/48/946752048.db2.gz PJBSRNGRYRCHIC-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537584 946752415 /nfs/dbraw/zinc/75/24/15/946752415.db2.gz PJBSRNGRYRCHIC-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573537584 946752409 /nfs/dbraw/zinc/75/24/09/946752409.db2.gz PJBSRNGRYRCHIC-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537599 946752753 /nfs/dbraw/zinc/75/27/53/946752753.db2.gz PNUXYBDCCOPLBU-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537599 946752749 /nfs/dbraw/zinc/75/27/49/946752749.db2.gz PNUXYBDCCOPLBU-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537603 946752206 /nfs/dbraw/zinc/75/22/06/946752206.db2.gz PNUXYBDCCOPLBU-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537603 946752198 /nfs/dbraw/zinc/75/21/98/946752198.db2.gz PNUXYBDCCOPLBU-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537613 946751940 /nfs/dbraw/zinc/75/19/40/946751940.db2.gz PPFBHJGZJMRELH-GXFFZTMASA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537618 946755291 /nfs/dbraw/zinc/75/52/91/946755291.db2.gz PPFBHJGZJMRELH-ZWNOBZJWSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573537629 946754714 /nfs/dbraw/zinc/75/47/14/946754714.db2.gz HTCRHJVSKNWFDL-LBPRGKRZSA-N -1 1 390.404 -0.937 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001573537630 946754295 /nfs/dbraw/zinc/75/42/95/946754295.db2.gz HVLTYVLEWKKJPJ-LBPRGKRZSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001573537630 946754287 /nfs/dbraw/zinc/75/42/87/946754287.db2.gz HVLTYVLEWKKJPJ-LBPRGKRZSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573537643 946755239 /nfs/dbraw/zinc/75/52/39/946755239.db2.gz ICERWUVQTRIMDS-LBPRGKRZSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573537643 946755232 /nfs/dbraw/zinc/75/52/32/946755232.db2.gz ICERWUVQTRIMDS-LBPRGKRZSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537690 946754439 /nfs/dbraw/zinc/75/44/39/946754439.db2.gz QUDMLFPYRZJONS-GXTWGEPZSA-N -1 1 387.448 -0.500 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537694 946756066 /nfs/dbraw/zinc/75/60/66/946756066.db2.gz QUDMLFPYRZJONS-TZMCWYRMSA-N -1 1 387.448 -0.500 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537715 946757475 /nfs/dbraw/zinc/75/74/75/946757475.db2.gz RCVUORGELXJYSJ-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537715 946757461 /nfs/dbraw/zinc/75/74/61/946757461.db2.gz RCVUORGELXJYSJ-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537716 946757509 /nfs/dbraw/zinc/75/75/09/946757509.db2.gz RCVUORGELXJYSJ-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537716 946757499 /nfs/dbraw/zinc/75/74/99/946757499.db2.gz RCVUORGELXJYSJ-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537729 946757074 /nfs/dbraw/zinc/75/70/74/946757074.db2.gz RJDQUSFVFBQMRM-GXFFZTMASA-N -1 1 375.437 -0.502 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573537830 946758791 /nfs/dbraw/zinc/75/87/91/946758791.db2.gz LCWHXLGFRKLGQX-AAEUAGOBSA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573537831 946757107 /nfs/dbraw/zinc/75/71/07/946757107.db2.gz LCWHXLGFRKLGQX-YPMHNXCESA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573537849 946757554 /nfs/dbraw/zinc/75/75/54/946757554.db2.gz RJDQUSFVFBQMRM-ZWNOBZJWSA-N -1 1 375.437 -0.502 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573537885 946759567 /nfs/dbraw/zinc/75/95/67/946759567.db2.gz MADMPNOXOZFWPM-OLZOCXBDSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573537887 946760999 /nfs/dbraw/zinc/76/09/99/946760999.db2.gz MADMPNOXOZFWPM-STQMWFEESA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573537939 946760920 /nfs/dbraw/zinc/76/09/20/946760920.db2.gz NLLFOJXRGQDAKW-AWEZNQCLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573537939 946760914 /nfs/dbraw/zinc/76/09/14/946760914.db2.gz NLLFOJXRGQDAKW-AWEZNQCLSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573537949 946759998 /nfs/dbraw/zinc/75/99/98/946759998.db2.gz OADMQEMODOWTLG-OLZOCXBDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573537951 946760509 /nfs/dbraw/zinc/76/05/09/946760509.db2.gz OADMQEMODOWTLG-STQMWFEESA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573537953 946760159 /nfs/dbraw/zinc/76/01/59/946760159.db2.gz ODZRLAHOHGOHQS-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)C ZINC001573538014 946763511 /nfs/dbraw/zinc/76/35/11/946763511.db2.gz SQYAONKZCACUMQ-OAHLLOKOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)C ZINC001573538014 946763503 /nfs/dbraw/zinc/76/35/03/946763503.db2.gz SQYAONKZCACUMQ-OAHLLOKOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573538018 946762411 /nfs/dbraw/zinc/76/24/11/946762411.db2.gz SWFMEMTYTJLTAK-CQSZACIVSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573538018 946762403 /nfs/dbraw/zinc/76/24/03/946762403.db2.gz SWFMEMTYTJLTAK-CQSZACIVSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573538024 946762432 /nfs/dbraw/zinc/76/24/32/946762432.db2.gz TTXXFYXUTWYHBQ-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573538025 946763823 /nfs/dbraw/zinc/76/38/23/946763823.db2.gz TUTRZSPUVXSLTJ-CYBMUJFWSA-N -1 1 375.437 -0.288 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001573538028 946763122 /nfs/dbraw/zinc/76/31/22/946763122.db2.gz TWSRUNNZDGNDSP-CQSZACIVSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573538041 946762900 /nfs/dbraw/zinc/76/29/00/946762900.db2.gz UOOJAJMENCEWSH-SLEUVZQESA-N -1 1 385.432 -0.393 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573538041 946762893 /nfs/dbraw/zinc/76/28/93/946762893.db2.gz UOOJAJMENCEWSH-SLEUVZQESA-N -1 1 385.432 -0.393 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573538049 946762090 /nfs/dbraw/zinc/76/20/90/946762090.db2.gz USVZCDOWWRONAR-GFCCVEGCSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573538049 946762078 /nfs/dbraw/zinc/76/20/78/946762078.db2.gz USVZCDOWWRONAR-GFCCVEGCSA-N -1 1 391.436 -0.950 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573538050 946762732 /nfs/dbraw/zinc/76/27/32/946762732.db2.gz UWQCDESLHJWUCL-IINYFYTJSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573538050 946762727 /nfs/dbraw/zinc/76/27/27/946762727.db2.gz UWQCDESLHJWUCL-IINYFYTJSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573538051 946763641 /nfs/dbraw/zinc/76/36/41/946763641.db2.gz UWQCDESLHJWUCL-QMTHXVAHSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573538051 946763633 /nfs/dbraw/zinc/76/36/33/946763633.db2.gz UWQCDESLHJWUCL-QMTHXVAHSA-N -1 1 375.437 -0.242 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573538067 946762930 /nfs/dbraw/zinc/76/29/30/946762930.db2.gz VRFQPMDMGKVHLQ-CQSZACIVSA-N -1 1 375.437 -0.288 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573538067 946762923 /nfs/dbraw/zinc/76/29/23/946762923.db2.gz VRFQPMDMGKVHLQ-CQSZACIVSA-N -1 1 375.437 -0.288 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573538174 946765882 /nfs/dbraw/zinc/76/58/82/946765882.db2.gz PCUNWNGQASLPDJ-LBPRGKRZSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573538194 946765623 /nfs/dbraw/zinc/76/56/23/946765623.db2.gz PPQUBJKDURDCPM-NSHDSACASA-N -1 1 391.436 -0.084 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573538194 946765615 /nfs/dbraw/zinc/76/56/15/946765615.db2.gz PPQUBJKDURDCPM-NSHDSACASA-N -1 1 391.436 -0.084 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573538210 946765295 /nfs/dbraw/zinc/76/52/95/946765295.db2.gz PUUDLECDGDDGRA-OLZOCXBDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573538210 946765286 /nfs/dbraw/zinc/76/52/86/946765286.db2.gz PUUDLECDGDDGRA-OLZOCXBDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573538211 946764920 /nfs/dbraw/zinc/76/49/20/946764920.db2.gz PUUDLECDGDDGRA-STQMWFEESA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573538211 946764915 /nfs/dbraw/zinc/76/49/15/946764915.db2.gz PUUDLECDGDDGRA-STQMWFEESA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573538218 946764930 /nfs/dbraw/zinc/76/49/30/946764930.db2.gz PWZSIHZXANTTDX-JQWIXIFHSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573538219 946766176 /nfs/dbraw/zinc/76/61/76/946766176.db2.gz PWZSIHZXANTTDX-PWSUYJOCSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573538244 946765420 /nfs/dbraw/zinc/76/54/20/946765420.db2.gz QWEGDJBJTHXPBO-OLZOCXBDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573538244 946765412 /nfs/dbraw/zinc/76/54/12/946765412.db2.gz QWEGDJBJTHXPBO-OLZOCXBDSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573538245 946766293 /nfs/dbraw/zinc/76/62/93/946766293.db2.gz QWEGDJBJTHXPBO-STQMWFEESA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573538245 946766285 /nfs/dbraw/zinc/76/62/85/946766285.db2.gz QWEGDJBJTHXPBO-STQMWFEESA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573538254 946765245 /nfs/dbraw/zinc/76/52/45/946765245.db2.gz RATAXXMJMADNGL-JSGCOSHPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573538254 946765235 /nfs/dbraw/zinc/76/52/35/946765235.db2.gz RATAXXMJMADNGL-JSGCOSHPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573538255 946765270 /nfs/dbraw/zinc/76/52/70/946765270.db2.gz RATAXXMJMADNGL-OCCSQVGLSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573538255 946765262 /nfs/dbraw/zinc/76/52/62/946765262.db2.gz RATAXXMJMADNGL-OCCSQVGLSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573538455 946768264 /nfs/dbraw/zinc/76/82/64/946768264.db2.gz UAHKOXIJQRLTKO-JQWIXIFHSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573538457 946769284 /nfs/dbraw/zinc/76/92/84/946769284.db2.gz UAHKOXIJQRLTKO-PWSUYJOCSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573538466 946769143 /nfs/dbraw/zinc/76/91/43/946769143.db2.gz UFTVNACLDWFEAV-LBPRGKRZSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573538518 946769010 /nfs/dbraw/zinc/76/90/10/946769010.db2.gz VVWMHCASKDIKGD-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573538518 946769000 /nfs/dbraw/zinc/76/90/00/946769000.db2.gz VVWMHCASKDIKGD-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573538523 946767690 /nfs/dbraw/zinc/76/76/90/946767690.db2.gz WZYVYPYDPIPLNG-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573538523 946767683 /nfs/dbraw/zinc/76/76/83/946767683.db2.gz WZYVYPYDPIPLNG-IUODEOHRSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573538527 946767629 /nfs/dbraw/zinc/76/76/29/946767629.db2.gz WZYVYPYDPIPLNG-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573538527 946767623 /nfs/dbraw/zinc/76/76/23/946767623.db2.gz WZYVYPYDPIPLNG-SWLSCSKDSA-N -1 1 387.448 -0.146 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573538544 946771899 /nfs/dbraw/zinc/77/18/99/946771899.db2.gz WMKLKXJMKJWALT-AAEUAGOBSA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573538545 946769837 /nfs/dbraw/zinc/76/98/37/946769837.db2.gz WMKLKXJMKJWALT-YPMHNXCESA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573538575 946771578 /nfs/dbraw/zinc/77/15/78/946771578.db2.gz YDFMBZQNPOHARF-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573538575 946771569 /nfs/dbraw/zinc/77/15/69/946771569.db2.gz YDFMBZQNPOHARF-ZDUSSCGKSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573538585 946770298 /nfs/dbraw/zinc/77/02/98/946770298.db2.gz XOYQZCLWWBDXMA-ORHYLEIMSA-N -1 1 387.448 -0.454 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573538595 946770094 /nfs/dbraw/zinc/77/00/94/946770094.db2.gz YDTZSGYGSGTFGR-BXUZGUMPSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573538595 946770084 /nfs/dbraw/zinc/77/00/84/946770084.db2.gz YDTZSGYGSGTFGR-BXUZGUMPSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573538596 946771623 /nfs/dbraw/zinc/77/16/23/946771623.db2.gz YDTZSGYGSGTFGR-SMDDNHRTSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573538596 946771617 /nfs/dbraw/zinc/77/16/17/946771617.db2.gz YDTZSGYGSGTFGR-SMDDNHRTSA-N -1 1 391.436 -0.951 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC001573538687 946772752 /nfs/dbraw/zinc/77/27/52/946772752.db2.gz ZXWQWAVMSTZDDC-OAHLLOKOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC001573538687 946772747 /nfs/dbraw/zinc/77/27/47/946772747.db2.gz ZXWQWAVMSTZDDC-OAHLLOKOSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573540353 946774119 /nfs/dbraw/zinc/77/41/19/946774119.db2.gz AAZLYOOLICCGKP-DGCLKSJQSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573540354 946772943 /nfs/dbraw/zinc/77/29/43/946772943.db2.gz AAZLYOOLICCGKP-WCQYABFASA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573540356 946773676 /nfs/dbraw/zinc/77/36/76/946773676.db2.gz ADYOSLPDLIELID-CYBMUJFWSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573540356 946773669 /nfs/dbraw/zinc/77/36/69/946773669.db2.gz ADYOSLPDLIELID-CYBMUJFWSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573540365 946774368 /nfs/dbraw/zinc/77/43/68/946774368.db2.gz AVFFHNIDWYDYIU-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573540365 946774362 /nfs/dbraw/zinc/77/43/62/946774362.db2.gz AVFFHNIDWYDYIU-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573540366 946774447 /nfs/dbraw/zinc/77/44/47/946774447.db2.gz AVFFHNIDWYDYIU-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573540366 946774443 /nfs/dbraw/zinc/77/44/43/946774443.db2.gz AVFFHNIDWYDYIU-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573540367 946773518 /nfs/dbraw/zinc/77/35/18/946773518.db2.gz AVFHYBGTAAAZBV-GFCCVEGCSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573540386 946776645 /nfs/dbraw/zinc/77/66/45/946776645.db2.gz CABJSCNWCPYRGX-GFCCVEGCSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573540386 946776638 /nfs/dbraw/zinc/77/66/38/946776638.db2.gz CABJSCNWCPYRGX-GFCCVEGCSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573540398 946775858 /nfs/dbraw/zinc/77/58/58/946775858.db2.gz CMASNHMXIMOYPL-BXUZGUMPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573540398 946775849 /nfs/dbraw/zinc/77/58/49/946775849.db2.gz CMASNHMXIMOYPL-BXUZGUMPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573540399 946775574 /nfs/dbraw/zinc/77/55/74/946775574.db2.gz CMASNHMXIMOYPL-SMDDNHRTSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573540399 946775564 /nfs/dbraw/zinc/77/55/64/946775564.db2.gz CMASNHMXIMOYPL-SMDDNHRTSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573540405 946775300 /nfs/dbraw/zinc/77/53/00/946775300.db2.gz CVSCJFVCGOCSOY-DGCLKSJQSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573540406 946777042 /nfs/dbraw/zinc/77/70/42/946777042.db2.gz CVSCJFVCGOCSOY-WCQYABFASA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573540442 946775661 /nfs/dbraw/zinc/77/56/61/946775661.db2.gz DVPYHQOVDIVRES-CYBMUJFWSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573540442 946775650 /nfs/dbraw/zinc/77/56/50/946775650.db2.gz DVPYHQOVDIVRES-CYBMUJFWSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(C)C ZINC001573540448 946775779 /nfs/dbraw/zinc/77/57/79/946775779.db2.gz DZSIIYTUSWUHTJ-CYBMUJFWSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540559 946778598 /nfs/dbraw/zinc/77/85/98/946778598.db2.gz FRDQKJSAVBCZHM-GFCCVEGCSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573540579 946778819 /nfs/dbraw/zinc/77/88/19/946778819.db2.gz GRBBJNAZHUNQQD-DGCLKSJQSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573540580 946778656 /nfs/dbraw/zinc/77/86/56/946778656.db2.gz GRBBJNAZHUNQQD-WCQYABFASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540602 946779242 /nfs/dbraw/zinc/77/92/42/946779242.db2.gz HUTCQSJWDJNCCP-GXFFZTMASA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@H](C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540603 946779415 /nfs/dbraw/zinc/77/94/15/946779415.db2.gz HUTCQSJWDJNCCP-ZWNOBZJWSA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001573540604 946778014 /nfs/dbraw/zinc/77/80/14/946778014.db2.gz HVLTYVLEWKKJPJ-GFCCVEGCSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001573540604 946778007 /nfs/dbraw/zinc/77/80/07/946778007.db2.gz HVLTYVLEWKKJPJ-GFCCVEGCSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540613 946779477 /nfs/dbraw/zinc/77/94/77/946779477.db2.gz IALGYFUEGWDPPC-CYBMUJFWSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573540613 946779467 /nfs/dbraw/zinc/77/94/67/946779467.db2.gz IALGYFUEGWDPPC-CYBMUJFWSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540646 946781398 /nfs/dbraw/zinc/78/13/98/946781398.db2.gz JADBFMOQMNNCBY-GXFFZTMASA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@H](C(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540647 946780842 /nfs/dbraw/zinc/78/08/42/946780842.db2.gz JADBFMOQMNNCBY-ZWNOBZJWSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540898 946782112 /nfs/dbraw/zinc/78/21/12/946782112.db2.gz KAARUSVTIFHARU-BXKDBHETSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540900 946781038 /nfs/dbraw/zinc/78/10/38/946781038.db2.gz KAARUSVTIFHARU-JOYOIKCWSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573540931 946781280 /nfs/dbraw/zinc/78/12/80/946781280.db2.gz LCWHXLGFRKLGQX-DGCLKSJQSA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573540934 946782044 /nfs/dbraw/zinc/78/20/44/946782044.db2.gz LCWHXLGFRKLGQX-WCQYABFASA-N -1 1 389.464 -0.112 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573541005 946783499 /nfs/dbraw/zinc/78/34/99/946783499.db2.gz MADMPNOXOZFWPM-CHWSQXEVSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573541007 946782935 /nfs/dbraw/zinc/78/29/35/946782935.db2.gz MADMPNOXOZFWPM-QWHCGFSZSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573541170 946784274 /nfs/dbraw/zinc/78/42/74/946784274.db2.gz NLLFOJXRGQDAKW-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573541170 946784268 /nfs/dbraw/zinc/78/42/68/946784268.db2.gz NLLFOJXRGQDAKW-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541173 946784216 /nfs/dbraw/zinc/78/42/16/946784216.db2.gz NPDPXZAXITYTQU-DGCLKSJQSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541173 946784205 /nfs/dbraw/zinc/78/42/05/946784205.db2.gz NPDPXZAXITYTQU-DGCLKSJQSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541174 946783515 /nfs/dbraw/zinc/78/35/15/946783515.db2.gz NPDPXZAXITYTQU-WCQYABFASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541174 946783510 /nfs/dbraw/zinc/78/35/10/946783510.db2.gz NPDPXZAXITYTQU-WCQYABFASA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573541185 946783373 /nfs/dbraw/zinc/78/33/73/946783373.db2.gz OADMQEMODOWTLG-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573541186 946783752 /nfs/dbraw/zinc/78/37/52/946783752.db2.gz OADMQEMODOWTLG-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573541189 946783723 /nfs/dbraw/zinc/78/37/23/946783723.db2.gz ODZRLAHOHGOHQS-CYBMUJFWSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(C)C ZINC001573541209 946783254 /nfs/dbraw/zinc/78/32/54/946783254.db2.gz OQOXPQQZLBUSRW-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(C)C ZINC001573541209 946783251 /nfs/dbraw/zinc/78/32/51/946783251.db2.gz OQOXPQQZLBUSRW-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573541213 946782799 /nfs/dbraw/zinc/78/27/99/946782799.db2.gz OVFNDIAFUORZRD-BXUZGUMPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001573541213 946782791 /nfs/dbraw/zinc/78/27/91/946782791.db2.gz OVFNDIAFUORZRD-BXUZGUMPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573541215 946783465 /nfs/dbraw/zinc/78/34/65/946783465.db2.gz OVFNDIAFUORZRD-SMDDNHRTSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001573541215 946783462 /nfs/dbraw/zinc/78/34/62/946783462.db2.gz OVFNDIAFUORZRD-SMDDNHRTSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573541236 946786321 /nfs/dbraw/zinc/78/63/21/946786321.db2.gz PCUNWNGQASLPDJ-GFCCVEGCSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573541239 946785495 /nfs/dbraw/zinc/78/54/95/946785495.db2.gz PEQIFMUZHUYMFH-GFCCVEGCSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573541239 946785485 /nfs/dbraw/zinc/78/54/85/946785485.db2.gz PEQIFMUZHUYMFH-GFCCVEGCSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573541271 946785152 /nfs/dbraw/zinc/78/51/52/946785152.db2.gz PUUDLECDGDDGRA-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573541271 946785142 /nfs/dbraw/zinc/78/51/42/946785142.db2.gz PUUDLECDGDDGRA-CHWSQXEVSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573541274 946784962 /nfs/dbraw/zinc/78/49/62/946784962.db2.gz PUUDLECDGDDGRA-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573541274 946784953 /nfs/dbraw/zinc/78/49/53/946784953.db2.gz PUUDLECDGDDGRA-QWHCGFSZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573541298 946785064 /nfs/dbraw/zinc/78/50/64/946785064.db2.gz PWZSIHZXANTTDX-CMPLNLGQSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573541375 946786589 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QZFAPVDPXWZKIO-BXUZGUMPSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573541534 946786146 /nfs/dbraw/zinc/78/61/46/946786146.db2.gz QZFAPVDPXWZKIO-SMDDNHRTSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573541534 946786137 /nfs/dbraw/zinc/78/61/37/946786137.db2.gz QZFAPVDPXWZKIO-SMDDNHRTSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573541540 946786754 /nfs/dbraw/zinc/78/67/54/946786754.db2.gz RATAXXMJMADNGL-GXTWGEPZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573541540 946786746 /nfs/dbraw/zinc/78/67/46/946786746.db2.gz RATAXXMJMADNGL-GXTWGEPZSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573541543 946785989 /nfs/dbraw/zinc/78/59/89/946785989.db2.gz RATAXXMJMADNGL-TZMCWYRMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573541543 946785982 /nfs/dbraw/zinc/78/59/82/946785982.db2.gz RATAXXMJMADNGL-TZMCWYRMSA-N -1 1 387.448 -0.098 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541587 946788701 /nfs/dbraw/zinc/78/87/01/946788701.db2.gz SHQIIZGLWODFBH-BXKDBHETSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541589 946787718 /nfs/dbraw/zinc/78/77/18/946787718.db2.gz SHQIIZGLWODFBH-JOYOIKCWSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573541607 946788501 /nfs/dbraw/zinc/78/85/01/946788501.db2.gz SWAHCSGYLMMBDB-CYBMUJFWSA-N -1 1 389.464 -0.110 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573541621 946787283 /nfs/dbraw/zinc/78/72/83/946787283.db2.gz UAHKOXIJQRLTKO-CMPLNLGQSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573541623 946787772 /nfs/dbraw/zinc/78/77/72/946787772.db2.gz UAHKOXIJQRLTKO-ZYHUDNBSSA-N -1 1 375.437 -0.454 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(C)C ZINC001573541625 946788514 /nfs/dbraw/zinc/78/85/14/946788514.db2.gz UCWUABZNHUZSMR-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(C)C ZINC001573541625 946788513 /nfs/dbraw/zinc/78/85/13/946788513.db2.gz UCWUABZNHUZSMR-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573541627 946788199 /nfs/dbraw/zinc/78/81/99/946788199.db2.gz UFTVNACLDWFEAV-GFCCVEGCSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(C)C ZINC001573541637 946789047 /nfs/dbraw/zinc/78/90/47/946789047.db2.gz UNYPEWDZYROIOE-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(C)C ZINC001573541637 946789039 /nfs/dbraw/zinc/78/90/39/946789039.db2.gz UNYPEWDZYROIOE-CQSZACIVSA-N -1 1 387.448 -0.144 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541639 946787423 /nfs/dbraw/zinc/78/74/23/946787423.db2.gz UQFNMLDCTYNQNT-CYBMUJFWSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541639 946787414 /nfs/dbraw/zinc/78/74/14/946787414.db2.gz UQFNMLDCTYNQNT-CYBMUJFWSA-N -1 1 375.437 -0.240 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573541643 946788159 /nfs/dbraw/zinc/78/81/59/946788159.db2.gz USCSKXFUMUQSHH-NQBHXWOUSA-N -1 1 387.448 -0.312 20 0 GBADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573541645 946787324 /nfs/dbraw/zinc/78/73/24/946787324.db2.gz USCSKXFUMUQSHH-NTZNESFSSA-N -1 1 387.448 -0.312 20 0 GBADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573541675 946791197 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CC(=O)N[C@H](C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541954 946791779 /nfs/dbraw/zinc/79/17/79/946791779.db2.gz ZLOJYIVLHPIKNE-ZWNOBZJWSA-N -1 1 389.464 -0.064 20 0 GBADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541961 946793105 /nfs/dbraw/zinc/79/31/05/946793105.db2.gz ZQHJDMZFSSGKIR-GXFFZTMASA-N -1 1 389.464 -0.206 20 0 GBADMM CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541962 946793083 /nfs/dbraw/zinc/79/30/83/946793083.db2.gz ZQHJDMZFSSGKIR-ZWNOBZJWSA-N -1 1 389.464 -0.206 20 0 GBADMM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001573542142 946792681 /nfs/dbraw/zinc/79/26/81/946792681.db2.gz ABIMWEPTTPEZEI-SECBINFHSA-N -1 1 382.388 -0.338 20 0 GBADMM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001573542145 946792314 /nfs/dbraw/zinc/79/23/14/946792314.db2.gz ABIMWEPTTPEZEI-VIFPVBQESA-N -1 1 382.388 -0.338 20 0 GBADMM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)nc1 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CC(=O)Nc1nc(C(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001573548199 946846695 /nfs/dbraw/zinc/84/66/95/946846695.db2.gz FOYAKPCCJDCIML-UHFFFAOYSA-N -1 1 388.417 -0.062 20 0 GBADMM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573548221 946849316 /nfs/dbraw/zinc/84/93/16/946849316.db2.gz GWGRDDUBXRSUBQ-UHFFFAOYSA-N -1 1 382.388 -0.124 20 0 GBADMM CC(=O)OC1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001573548222 946850808 /nfs/dbraw/zinc/85/08/08/946850808.db2.gz GXULGZDFKIBRHS-UHFFFAOYSA-N -1 1 377.361 -0.927 20 0 GBADMM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001573548255 946850384 /nfs/dbraw/zinc/85/03/84/946850384.db2.gz HGTJFZCJSACKHP-SSDOTTSWSA-N -1 1 388.417 -0.276 20 0 GBADMM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001573548257 946849961 /nfs/dbraw/zinc/84/99/61/946849961.db2.gz HGTJFZCJSACKHP-ZETCQYMHSA-N -1 1 388.417 -0.276 20 0 GBADMM CC(=O)Nc1cccc2c1CCN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C2 ZINC001573548270 946851324 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CC(=O)Nc1nc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001573548565 946856295 /nfs/dbraw/zinc/85/62/95/946856295.db2.gz OFWHEENVMSPPPJ-UHFFFAOYSA-N -1 1 388.417 -0.062 20 0 GBADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573548757 946860223 /nfs/dbraw/zinc/86/02/23/946860223.db2.gz SXRVMPSNOFHGHF-SECBINFHSA-N -1 1 382.388 -0.338 20 0 GBADMM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573548758 946860083 /nfs/dbraw/zinc/86/00/83/946860083.db2.gz SXRVMPSNOFHGHF-VIFPVBQESA-N -1 1 382.388 -0.338 20 0 GBADMM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573548773 946858739 /nfs/dbraw/zinc/85/87/39/946858739.db2.gz UROIWMWDFGDERL-SECBINFHSA-N -1 1 382.388 -0.338 20 0 GBADMM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573548774 946859382 /nfs/dbraw/zinc/85/93/82/946859382.db2.gz UROIWMWDFGDERL-VIFPVBQESA-N -1 1 382.388 -0.338 20 0 GBADMM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573548780 946858584 /nfs/dbraw/zinc/85/85/84/946858584.db2.gz VBSMCCJVCKKMNX-UHFFFAOYSA-N -1 1 382.388 -0.124 20 0 GBADMM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573548780 946858580 /nfs/dbraw/zinc/85/85/80/946858580.db2.gz VBSMCCJVCKKMNX-UHFFFAOYSA-N -1 1 382.388 -0.124 20 0 GBADMM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001573548824 946859843 /nfs/dbraw/zinc/85/98/43/946859843.db2.gz VOYRYBKDZAGQNB-SSDOTTSWSA-N -1 1 388.417 -0.276 20 0 GBADMM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001573548826 946860002 /nfs/dbraw/zinc/86/00/02/946860002.db2.gz VOYRYBKDZAGQNB-ZETCQYMHSA-N -1 1 388.417 -0.276 20 0 GBADMM CC(=O)Nc1cccc(NC(=O)Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)c1 ZINC001573548897 946858549 /nfs/dbraw/zinc/85/85/49/946858549.db2.gz WRRAZFJJBHDQIY-UHFFFAOYSA-N -1 1 398.383 -0.367 20 0 GBADMM CC(=O)Nc1cccc2c1CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)CC2 ZINC001573548986 946863333 /nfs/dbraw/zinc/86/33/33/946863333.db2.gz ZTNYYZNLVGMABS-UHFFFAOYSA-N -1 1 382.384 -0.225 20 0 GBADMM CC(=O)[C@@H]1C[C@H](CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001573550530 946862964 /nfs/dbraw/zinc/86/29/64/946862964.db2.gz AUPUAFXPOSJEHT-PWSUYJOCSA-N -1 1 389.416 -0.113 20 0 GBADMM CC(=O)OCC(C)(C)CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573550644 946864031 /nfs/dbraw/zinc/86/40/31/946864031.db2.gz CTUUIAIAGUZGCH-UHFFFAOYSA-N -1 1 379.377 -0.775 20 0 GBADMM CC(=O)c1cc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cs1 ZINC001573554559 946902165 /nfs/dbraw/zinc/90/21/65/946902165.db2.gz XLBWECUNUTYYMD-UHFFFAOYSA-N -1 1 375.370 -0.177 20 0 GBADMM CC(=O)c1cccc(NC(=O)Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)c1 ZINC001573555113 946904563 /nfs/dbraw/zinc/90/45/63/946904563.db2.gz BKGBEZCYNVDKCP-UHFFFAOYSA-N -1 1 383.368 -0.123 20 0 GBADMM CC(=O)c1ccc2c(c1)CN(C(=O)Cn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)C2 ZINC001573555215 946907295 /nfs/dbraw/zinc/90/72/95/946907295.db2.gz GOMSSIHLOAQCCV-UHFFFAOYSA-N -1 1 381.352 -0.126 20 0 GBADMM CC(=O)c1cccc(OCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573555534 946912863 /nfs/dbraw/zinc/91/28/63/946912863.db2.gz OQAQHMFVINKBLK-UHFFFAOYSA-N -1 1 399.367 -0.473 20 0 GBADMM CC(=O)c1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)nc1C ZINC001573555618 946914589 /nfs/dbraw/zinc/91/45/89/946914589.db2.gz CMHIMTPOCLSWKB-UHFFFAOYSA-N -1 1 384.356 -0.649 20 0 GBADMM CC(=O)c1ccc(CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001573555819 946917022 /nfs/dbraw/zinc/91/70/22/946917022.db2.gz FXYJAAWJGPAFOV-UHFFFAOYSA-N -1 1 383.368 -0.310 20 0 GBADMM CC(=O)c1ccc(S(=O)(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1F ZINC001573556174 946925248 /nfs/dbraw/zinc/92/52/48/946925248.db2.gz ZQFYWSSZCCHBFP-UHFFFAOYSA-N -1 1 380.365 -0.222 20 0 GBADMM CC(=O)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c(F)c1 ZINC001573556247 946923548 /nfs/dbraw/zinc/92/35/48/946923548.db2.gz MWCJXTSSJFNIAX-UHFFFAOYSA-N -1 1 387.331 -0.099 20 0 GBADMM CC(=O)c1ccc(NC(=O)Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)cc1 ZINC001573556490 946927044 /nfs/dbraw/zinc/92/70/44/946927044.db2.gz QWVSCHVCSOEDKJ-UHFFFAOYSA-N -1 1 383.368 -0.123 20 0 GBADMM CC(=O)c1ccc(CCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001573556943 946931864 /nfs/dbraw/zinc/93/18/64/946931864.db2.gz ZVHKCRGRGCWQTO-UHFFFAOYSA-N -1 1 383.368 -0.310 20 0 GBADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccsc3-c3nn[n-]n3)C2)nn1 ZINC001573557934 946933522 /nfs/dbraw/zinc/93/35/22/946933522.db2.gz BQIMHTMMZIBEEE-UHFFFAOYSA-N -1 1 380.415 -0.032 20 0 GBADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3cccnc3-c3nn[n-]n3)C2)nn1 ZINC001573557935 946934161 /nfs/dbraw/zinc/93/41/61/946934161.db2.gz BSLMQPICJFYHKH-UHFFFAOYSA-N -1 1 375.374 -0.699 20 0 GBADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001573558385 946938400 /nfs/dbraw/zinc/93/84/00/946938400.db2.gz KGNSKESSKCEPRM-UHFFFAOYSA-N -1 1 375.374 -0.699 20 0 GBADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001573558385 946938392 /nfs/dbraw/zinc/93/83/92/946938392.db2.gz KGNSKESSKCEPRM-UHFFFAOYSA-N -1 1 375.374 -0.699 20 0 GBADMM CC(=O)c1cncc(C(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)c1 ZINC001573558398 946937904 /nfs/dbraw/zinc/93/79/04/946937904.db2.gz KKEMQCPNUVWKDO-UHFFFAOYSA-N -1 1 382.340 -0.576 20 0 GBADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)s3)C2)nn1 ZINC001573558795 946942061 /nfs/dbraw/zinc/94/20/61/946942061.db2.gz PSLTVMJAMCQESM-UHFFFAOYSA-N -1 1 380.415 -0.032 20 0 GBADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)s3)C2)nn1 ZINC001573558795 946942056 /nfs/dbraw/zinc/94/20/56/946942056.db2.gz PSLTVMJAMCQESM-UHFFFAOYSA-N -1 1 380.415 -0.032 20 0 GBADMM CC(=O)c1cnc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001573558944 946942473 /nfs/dbraw/zinc/94/24/73/946942473.db2.gz RGCNECAQRQMSLN-UHFFFAOYSA-N -1 1 376.358 -0.183 20 0 GBADMM CC(=O)c1ccccc1OCCn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O ZINC001573559042 946947912 /nfs/dbraw/zinc/94/79/12/946947912.db2.gz WAUQGSDTHILJJN-UHFFFAOYSA-N -1 1 386.368 -0.536 20 0 GBADMM CC(=O)c1csc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573559060 946947291 /nfs/dbraw/zinc/94/72/91/946947291.db2.gz XFCHPCFDFKICRR-UHFFFAOYSA-N -1 1 375.370 -0.177 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573591425 947308272 /nfs/dbraw/zinc/30/82/72/947308272.db2.gz BOZRQAAWYUVHPW-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573591431 947309994 /nfs/dbraw/zinc/30/99/94/947309994.db2.gz BOZRQAAWYUVHPW-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573591435 947310329 /nfs/dbraw/zinc/31/03/29/947310329.db2.gz BOZRQAAWYUVHPW-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573591438 947309957 /nfs/dbraw/zinc/30/99/57/947309957.db2.gz BOZRQAAWYUVHPW-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573591518 947313175 /nfs/dbraw/zinc/31/31/75/947313175.db2.gz CHXACDDCUVRIKP-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573591518 947313162 /nfs/dbraw/zinc/31/31/62/947313162.db2.gz CHXACDDCUVRIKP-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573591519 947313383 /nfs/dbraw/zinc/31/33/83/947313383.db2.gz CHXACDDCUVRIKP-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573591519 947313370 /nfs/dbraw/zinc/31/33/70/947313370.db2.gz CHXACDDCUVRIKP-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573591520 947312185 /nfs/dbraw/zinc/31/21/85/947312185.db2.gz CHXACDDCUVRIKP-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573591520 947312167 /nfs/dbraw/zinc/31/21/67/947312167.db2.gz CHXACDDCUVRIKP-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573591521 947314033 /nfs/dbraw/zinc/31/40/33/947314033.db2.gz CHXACDDCUVRIKP-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573591521 947314019 /nfs/dbraw/zinc/31/40/19/947314019.db2.gz CHXACDDCUVRIKP-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573591695 947317357 /nfs/dbraw/zinc/31/73/57/947317357.db2.gz DLQVGGFDLRGGQK-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573591695 947317346 /nfs/dbraw/zinc/31/73/46/947317346.db2.gz DLQVGGFDLRGGQK-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573591696 947316753 /nfs/dbraw/zinc/31/67/53/947316753.db2.gz DLQVGGFDLRGGQK-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573591696 947316738 /nfs/dbraw/zinc/31/67/38/947316738.db2.gz DLQVGGFDLRGGQK-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573591697 947318222 /nfs/dbraw/zinc/31/82/22/947318222.db2.gz DLQVGGFDLRGGQK-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573591697 947318208 /nfs/dbraw/zinc/31/82/08/947318208.db2.gz DLQVGGFDLRGGQK-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573591698 947317692 /nfs/dbraw/zinc/31/76/92/947317692.db2.gz DLQVGGFDLRGGQK-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573591698 947317679 /nfs/dbraw/zinc/31/76/79/947317679.db2.gz DLQVGGFDLRGGQK-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573591703 947316894 /nfs/dbraw/zinc/31/68/94/947316894.db2.gz DMJLSCWYVCJHRX-CHWSQXEVSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573591703 947316888 /nfs/dbraw/zinc/31/68/88/947316888.db2.gz DMJLSCWYVCJHRX-CHWSQXEVSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573591704 947315026 /nfs/dbraw/zinc/31/50/26/947315026.db2.gz DMJLSCWYVCJHRX-OLZOCXBDSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573591704 947315012 /nfs/dbraw/zinc/31/50/12/947315012.db2.gz DMJLSCWYVCJHRX-OLZOCXBDSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573591705 947315266 /nfs/dbraw/zinc/31/52/66/947315266.db2.gz DMJLSCWYVCJHRX-QWHCGFSZSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573591705 947315254 /nfs/dbraw/zinc/31/52/54/947315254.db2.gz DMJLSCWYVCJHRX-QWHCGFSZSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573591706 947315703 /nfs/dbraw/zinc/31/57/03/947315703.db2.gz DMJLSCWYVCJHRX-STQMWFEESA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573591706 947315687 /nfs/dbraw/zinc/31/56/87/947315687.db2.gz DMJLSCWYVCJHRX-STQMWFEESA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573591729 947317189 /nfs/dbraw/zinc/31/71/89/947317189.db2.gz DUJUHVCMXQKAKA-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573591729 947317176 /nfs/dbraw/zinc/31/71/76/947317176.db2.gz DUJUHVCMXQKAKA-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573591730 947316238 /nfs/dbraw/zinc/31/62/38/947316238.db2.gz DUJUHVCMXQKAKA-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573591730 947316223 /nfs/dbraw/zinc/31/62/23/947316223.db2.gz DUJUHVCMXQKAKA-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573591731 947315296 /nfs/dbraw/zinc/31/52/96/947315296.db2.gz DUJUHVCMXQKAKA-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573591731 947315286 /nfs/dbraw/zinc/31/52/86/947315286.db2.gz DUJUHVCMXQKAKA-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573591732 947317564 /nfs/dbraw/zinc/31/75/64/947317564.db2.gz DUJUHVCMXQKAKA-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573591732 947317548 /nfs/dbraw/zinc/31/75/48/947317548.db2.gz DUJUHVCMXQKAKA-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573591747 947319397 /nfs/dbraw/zinc/31/93/97/947319397.db2.gz FESXCMPENNVIKY-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573591748 947320639 /nfs/dbraw/zinc/32/06/39/947320639.db2.gz FESXCMPENNVIKY-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573591749 947319610 /nfs/dbraw/zinc/31/96/10/947319610.db2.gz FESXCMPENNVIKY-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573591750 947319936 /nfs/dbraw/zinc/31/99/36/947319936.db2.gz FESXCMPENNVIKY-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573592258 947333118 /nfs/dbraw/zinc/33/31/18/947333118.db2.gz BLLBPVGFBRADBK-IDKOKCKLSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573592258 947333105 /nfs/dbraw/zinc/33/31/05/947333105.db2.gz BLLBPVGFBRADBK-IDKOKCKLSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573592259 947333921 /nfs/dbraw/zinc/33/39/21/947333921.db2.gz BLLBPVGFBRADBK-XNWIYYODSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573592259 947333908 /nfs/dbraw/zinc/33/39/08/947333908.db2.gz BLLBPVGFBRADBK-XNWIYYODSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573592349 947336131 /nfs/dbraw/zinc/33/61/31/947336131.db2.gz JRWCNUBRSJUHHA-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573592349 947336118 /nfs/dbraw/zinc/33/61/18/947336118.db2.gz JRWCNUBRSJUHHA-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573592351 947334850 /nfs/dbraw/zinc/33/48/50/947334850.db2.gz JRWCNUBRSJUHHA-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573592351 947334837 /nfs/dbraw/zinc/33/48/37/947334837.db2.gz JRWCNUBRSJUHHA-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573592353 947336709 /nfs/dbraw/zinc/33/67/09/947336709.db2.gz JRWCNUBRSJUHHA-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573592353 947336701 /nfs/dbraw/zinc/33/67/01/947336701.db2.gz JRWCNUBRSJUHHA-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573592355 947334725 /nfs/dbraw/zinc/33/47/25/947334725.db2.gz JRWCNUBRSJUHHA-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573592355 947334719 /nfs/dbraw/zinc/33/47/19/947334719.db2.gz JRWCNUBRSJUHHA-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573592509 947338304 /nfs/dbraw/zinc/33/83/04/947338304.db2.gz CZXYLVOGRGHFKV-IDKOKCKLSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@@H](C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573592509 947338291 /nfs/dbraw/zinc/33/82/91/947338291.db2.gz CZXYLVOGRGHFKV-IDKOKCKLSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573592510 947338435 /nfs/dbraw/zinc/33/84/35/947338435.db2.gz CZXYLVOGRGHFKV-XNWIYYODSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573592510 947338425 /nfs/dbraw/zinc/33/84/25/947338425.db2.gz CZXYLVOGRGHFKV-XNWIYYODSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573592996 947359763 /nfs/dbraw/zinc/35/97/63/947359763.db2.gz PFQZEZZXMBSWQV-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573592996 947359742 /nfs/dbraw/zinc/35/97/42/947359742.db2.gz PFQZEZZXMBSWQV-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573592998 947358969 /nfs/dbraw/zinc/35/89/69/947358969.db2.gz PFQZEZZXMBSWQV-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573592998 947358952 /nfs/dbraw/zinc/35/89/52/947358952.db2.gz PFQZEZZXMBSWQV-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573593000 947358889 /nfs/dbraw/zinc/35/88/89/947358889.db2.gz PFQZEZZXMBSWQV-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573593000 947358877 /nfs/dbraw/zinc/35/88/77/947358877.db2.gz PFQZEZZXMBSWQV-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573593002 947357321 /nfs/dbraw/zinc/35/73/21/947357321.db2.gz PFQZEZZXMBSWQV-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573593002 947357309 /nfs/dbraw/zinc/35/73/09/947357309.db2.gz PFQZEZZXMBSWQV-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573593115 947362277 /nfs/dbraw/zinc/36/22/77/947362277.db2.gz IOHJQGXSIZVPNN-IDKOKCKLSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573593115 947362261 /nfs/dbraw/zinc/36/22/61/947362261.db2.gz IOHJQGXSIZVPNN-IDKOKCKLSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573593119 947360264 /nfs/dbraw/zinc/36/02/64/947360264.db2.gz IOHJQGXSIZVPNN-XNWIYYODSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573593119 947360251 /nfs/dbraw/zinc/36/02/51/947360251.db2.gz IOHJQGXSIZVPNN-XNWIYYODSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573593135 947360305 /nfs/dbraw/zinc/36/03/05/947360305.db2.gz QJWDVIBMLDHICW-CHWSQXEVSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573593135 947360291 /nfs/dbraw/zinc/36/02/91/947360291.db2.gz QJWDVIBMLDHICW-CHWSQXEVSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573593137 947363198 /nfs/dbraw/zinc/36/31/98/947363198.db2.gz QJWDVIBMLDHICW-OLZOCXBDSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573593137 947363185 /nfs/dbraw/zinc/36/31/85/947363185.db2.gz QJWDVIBMLDHICW-OLZOCXBDSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573593139 947361370 /nfs/dbraw/zinc/36/13/70/947361370.db2.gz QJWDVIBMLDHICW-QWHCGFSZSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573593139 947361357 /nfs/dbraw/zinc/36/13/57/947361357.db2.gz QJWDVIBMLDHICW-QWHCGFSZSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573593141 947365394 /nfs/dbraw/zinc/36/53/94/947365394.db2.gz QJWDVIBMLDHICW-STQMWFEESA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573593141 947365381 /nfs/dbraw/zinc/36/53/81/947365381.db2.gz QJWDVIBMLDHICW-STQMWFEESA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573593150 947363940 /nfs/dbraw/zinc/36/39/40/947363940.db2.gz QRMBBQYBYUUYQL-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573593150 947363920 /nfs/dbraw/zinc/36/39/20/947363920.db2.gz QRMBBQYBYUUYQL-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573593152 947363772 /nfs/dbraw/zinc/36/37/72/947363772.db2.gz QRMBBQYBYUUYQL-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573593152 947363762 /nfs/dbraw/zinc/36/37/62/947363762.db2.gz QRMBBQYBYUUYQL-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573593156 947363979 /nfs/dbraw/zinc/36/39/79/947363979.db2.gz QTTMRHGHWJUSDK-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573593156 947363965 /nfs/dbraw/zinc/36/39/65/947363965.db2.gz QTTMRHGHWJUSDK-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573593158 947365858 /nfs/dbraw/zinc/36/58/58/947365858.db2.gz QTTMRHGHWJUSDK-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573593158 947365848 /nfs/dbraw/zinc/36/58/48/947365848.db2.gz QTTMRHGHWJUSDK-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573593363 947367577 /nfs/dbraw/zinc/36/75/77/947367577.db2.gz SABDGVYNCHDUIL-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573593363 947367562 /nfs/dbraw/zinc/36/75/62/947367562.db2.gz SABDGVYNCHDUIL-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573593364 947367614 /nfs/dbraw/zinc/36/76/14/947367614.db2.gz SABDGVYNCHDUIL-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573593364 947367601 /nfs/dbraw/zinc/36/76/01/947367601.db2.gz SABDGVYNCHDUIL-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573593365 947369190 /nfs/dbraw/zinc/36/91/90/947369190.db2.gz SABDGVYNCHDUIL-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573593365 947369180 /nfs/dbraw/zinc/36/91/80/947369180.db2.gz SABDGVYNCHDUIL-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573593366 947368600 /nfs/dbraw/zinc/36/86/00/947368600.db2.gz SABDGVYNCHDUIL-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573593366 947368589 /nfs/dbraw/zinc/36/85/89/947368589.db2.gz SABDGVYNCHDUIL-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573593978 947382060 /nfs/dbraw/zinc/38/20/60/947382060.db2.gz WGRUTHCVWFKWRI-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573593978 947382056 /nfs/dbraw/zinc/38/20/56/947382056.db2.gz WGRUTHCVWFKWRI-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573593979 947382719 /nfs/dbraw/zinc/38/27/19/947382719.db2.gz WGRUTHCVWFKWRI-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573593979 947382702 /nfs/dbraw/zinc/38/27/02/947382702.db2.gz WGRUTHCVWFKWRI-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573594419 947395619 /nfs/dbraw/zinc/39/56/19/947395619.db2.gz YUNPLWQJJOKLRP-LLVKDONJSA-N -1 1 385.436 -0.172 20 0 GBADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573594421 947396673 /nfs/dbraw/zinc/39/66/73/947396673.db2.gz YUNPLWQJJOKLRP-NSHDSACASA-N -1 1 385.436 -0.172 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573594687 947403705 /nfs/dbraw/zinc/40/37/05/947403705.db2.gz CHXVURUZQHTNDM-JTQLQIEISA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573594687 947403699 /nfs/dbraw/zinc/40/36/99/947403699.db2.gz CHXVURUZQHTNDM-JTQLQIEISA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573594688 947403494 /nfs/dbraw/zinc/40/34/94/947403494.db2.gz CHXVURUZQHTNDM-SNVBAGLBSA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573594688 947403487 /nfs/dbraw/zinc/40/34/87/947403487.db2.gz CHXVURUZQHTNDM-SNVBAGLBSA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573594882 947410506 /nfs/dbraw/zinc/41/05/06/947410506.db2.gz DJMIHJPGDUOREF-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573594882 947410500 /nfs/dbraw/zinc/41/05/00/947410500.db2.gz DJMIHJPGDUOREF-NEPJUHHUSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573594883 947410354 /nfs/dbraw/zinc/41/03/54/947410354.db2.gz DJMIHJPGDUOREF-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573594883 947410349 /nfs/dbraw/zinc/41/03/49/947410349.db2.gz DJMIHJPGDUOREF-NWDGAFQWSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573594884 947411020 /nfs/dbraw/zinc/41/10/20/947411020.db2.gz DJMIHJPGDUOREF-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573594884 947411012 /nfs/dbraw/zinc/41/10/12/947411012.db2.gz DJMIHJPGDUOREF-RYUDHWBXSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573594885 947409777 /nfs/dbraw/zinc/40/97/77/947409777.db2.gz DJMIHJPGDUOREF-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573594885 947409769 /nfs/dbraw/zinc/40/97/69/947409769.db2.gz DJMIHJPGDUOREF-VXGBXAGGSA-N -1 1 386.420 -0.630 20 0 GBADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573594996 947413286 /nfs/dbraw/zinc/41/32/86/947413286.db2.gz WBFLMNHRBDSGSA-CMPLNLGQSA-N -1 1 383.420 -0.420 20 0 GBADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573594997 947412811 /nfs/dbraw/zinc/41/28/11/947412811.db2.gz WBFLMNHRBDSGSA-JQWIXIFHSA-N -1 1 383.420 -0.420 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573594998 947413449 /nfs/dbraw/zinc/41/34/49/947413449.db2.gz WBFLMNHRBDSGSA-PWSUYJOCSA-N -1 1 383.420 -0.420 20 0 GBADMM C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573594999 947413604 /nfs/dbraw/zinc/41/36/04/947413604.db2.gz WBFLMNHRBDSGSA-ZYHUDNBSSA-N -1 1 383.420 -0.420 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573595163 947418017 /nfs/dbraw/zinc/41/80/17/947418017.db2.gz FYUISQQRQIYPPP-JTQLQIEISA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573595163 947418007 /nfs/dbraw/zinc/41/80/07/947418007.db2.gz FYUISQQRQIYPPP-JTQLQIEISA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573595165 947417390 /nfs/dbraw/zinc/41/73/90/947417390.db2.gz FYUISQQRQIYPPP-SNVBAGLBSA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573595165 947417384 /nfs/dbraw/zinc/41/73/84/947417384.db2.gz FYUISQQRQIYPPP-SNVBAGLBSA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001573595923 947424594 /nfs/dbraw/zinc/42/45/94/947424594.db2.gz HPSDVOIMJJOLCZ-NEPJUHHUSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCC(=O)N1 ZINC001573595923 947424584 /nfs/dbraw/zinc/42/45/84/947424584.db2.gz HPSDVOIMJJOLCZ-NEPJUHHUSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCC(=O)N1 ZINC001573595924 947424251 /nfs/dbraw/zinc/42/42/51/947424251.db2.gz HPSDVOIMJJOLCZ-NWDGAFQWSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCC(=O)N1 ZINC001573595924 947424245 /nfs/dbraw/zinc/42/42/45/947424245.db2.gz HPSDVOIMJJOLCZ-NWDGAFQWSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001573595925 947424453 /nfs/dbraw/zinc/42/44/53/947424453.db2.gz HPSDVOIMJJOLCZ-RYUDHWBXSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCC(=O)N1 ZINC001573595925 947424446 /nfs/dbraw/zinc/42/44/46/947424446.db2.gz HPSDVOIMJJOLCZ-RYUDHWBXSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCC(=O)N1 ZINC001573595927 947424759 /nfs/dbraw/zinc/42/47/59/947424759.db2.gz HPSDVOIMJJOLCZ-VXGBXAGGSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCC(=O)N1 ZINC001573595927 947424754 /nfs/dbraw/zinc/42/47/54/947424754.db2.gz HPSDVOIMJJOLCZ-VXGBXAGGSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573596502 947429900 /nfs/dbraw/zinc/42/99/00/947429900.db2.gz KSJAVLOWPRYMJE-JTQLQIEISA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573596502 947429896 /nfs/dbraw/zinc/42/98/96/947429896.db2.gz KSJAVLOWPRYMJE-JTQLQIEISA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573596504 947428680 /nfs/dbraw/zinc/42/86/80/947428680.db2.gz KSJAVLOWPRYMJE-SNVBAGLBSA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573596504 947428674 /nfs/dbraw/zinc/42/86/74/947428674.db2.gz KSJAVLOWPRYMJE-SNVBAGLBSA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573597378 947437069 /nfs/dbraw/zinc/43/70/69/947437069.db2.gz ODLMTNBICWCJHJ-CMPLNLGQSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573597378 947437062 /nfs/dbraw/zinc/43/70/62/947437062.db2.gz ODLMTNBICWCJHJ-CMPLNLGQSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573597389 947437567 /nfs/dbraw/zinc/43/75/67/947437567.db2.gz ODLMTNBICWCJHJ-JQWIXIFHSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573597389 947437557 /nfs/dbraw/zinc/43/75/57/947437557.db2.gz ODLMTNBICWCJHJ-JQWIXIFHSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573597391 947436682 /nfs/dbraw/zinc/43/66/82/947436682.db2.gz ODLMTNBICWCJHJ-PWSUYJOCSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573597391 947436677 /nfs/dbraw/zinc/43/66/77/947436677.db2.gz ODLMTNBICWCJHJ-PWSUYJOCSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573597393 947437776 /nfs/dbraw/zinc/43/77/76/947437776.db2.gz ODLMTNBICWCJHJ-ZYHUDNBSSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573597393 947437768 /nfs/dbraw/zinc/43/77/68/947437768.db2.gz ODLMTNBICWCJHJ-ZYHUDNBSSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573599185 947449601 /nfs/dbraw/zinc/44/96/01/947449601.db2.gz VJKBVIBVCGWLSX-CMPLNLGQSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573599185 947449597 /nfs/dbraw/zinc/44/95/97/947449597.db2.gz VJKBVIBVCGWLSX-CMPLNLGQSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573599186 947450519 /nfs/dbraw/zinc/45/05/19/947450519.db2.gz VJKBVIBVCGWLSX-JQWIXIFHSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573599186 947450517 /nfs/dbraw/zinc/45/05/17/947450517.db2.gz VJKBVIBVCGWLSX-JQWIXIFHSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573599187 947449935 /nfs/dbraw/zinc/44/99/35/947449935.db2.gz VJKBVIBVCGWLSX-PWSUYJOCSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573599187 947449926 /nfs/dbraw/zinc/44/99/26/947449926.db2.gz VJKBVIBVCGWLSX-PWSUYJOCSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573599188 947449680 /nfs/dbraw/zinc/44/96/80/947449680.db2.gz VJKBVIBVCGWLSX-ZYHUDNBSSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573599188 947449673 /nfs/dbraw/zinc/44/96/73/947449673.db2.gz VJKBVIBVCGWLSX-ZYHUDNBSSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573599201 947451958 /nfs/dbraw/zinc/45/19/58/947451958.db2.gz VTILRHRIDIAXJP-AAEUAGOBSA-N -1 1 383.416 -0.492 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573599202 947452844 /nfs/dbraw/zinc/45/28/44/947452844.db2.gz VTILRHRIDIAXJP-DGCLKSJQSA-N -1 1 383.416 -0.492 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573599203 947451482 /nfs/dbraw/zinc/45/14/82/947451482.db2.gz VTILRHRIDIAXJP-WCQYABFASA-N -1 1 383.416 -0.492 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573599204 947453153 /nfs/dbraw/zinc/45/31/53/947453153.db2.gz VTILRHRIDIAXJP-YPMHNXCESA-N -1 1 383.416 -0.492 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCC(=O)N1 ZINC001573599267 947452927 /nfs/dbraw/zinc/45/29/27/947452927.db2.gz WYCGGPYPLPBKHL-NEPJUHHUSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCC(=O)N1 ZINC001573599267 947452921 /nfs/dbraw/zinc/45/29/21/947452921.db2.gz WYCGGPYPLPBKHL-NEPJUHHUSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)[C@H]1CCC(=O)N1 ZINC001573599268 947452342 /nfs/dbraw/zinc/45/23/42/947452342.db2.gz WYCGGPYPLPBKHL-NWDGAFQWSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)[C@H]1CCC(=O)N1 ZINC001573599268 947452333 /nfs/dbraw/zinc/45/23/33/947452333.db2.gz WYCGGPYPLPBKHL-NWDGAFQWSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCC(=O)N1 ZINC001573599269 947451124 /nfs/dbraw/zinc/45/11/24/947451124.db2.gz WYCGGPYPLPBKHL-RYUDHWBXSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCC(=O)N1 ZINC001573599269 947451114 /nfs/dbraw/zinc/45/11/14/947451114.db2.gz WYCGGPYPLPBKHL-RYUDHWBXSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)[C@H]1CCC(=O)N1 ZINC001573599270 947452602 /nfs/dbraw/zinc/45/26/02/947452602.db2.gz WYCGGPYPLPBKHL-VXGBXAGGSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)[C@H]1CCC(=O)N1 ZINC001573599270 947452592 /nfs/dbraw/zinc/45/25/92/947452592.db2.gz WYCGGPYPLPBKHL-VXGBXAGGSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573599284 947455948 /nfs/dbraw/zinc/45/59/48/947455948.db2.gz XFIMSHPGGZFQBK-JTQLQIEISA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573599286 947455476 /nfs/dbraw/zinc/45/54/76/947455476.db2.gz XFIMSHPGGZFQBK-SNVBAGLBSA-N -1 1 382.450 -0.626 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573599367 947454216 /nfs/dbraw/zinc/45/42/16/947454216.db2.gz XLGOXHIJMZGIRU-CMPLNLGQSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573599367 947454210 /nfs/dbraw/zinc/45/42/10/947454210.db2.gz XLGOXHIJMZGIRU-CMPLNLGQSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573599369 947454713 /nfs/dbraw/zinc/45/47/13/947454713.db2.gz XLGOXHIJMZGIRU-JQWIXIFHSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573599369 947454701 /nfs/dbraw/zinc/45/47/01/947454701.db2.gz XLGOXHIJMZGIRU-JQWIXIFHSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573599371 947455598 /nfs/dbraw/zinc/45/55/98/947455598.db2.gz XLGOXHIJMZGIRU-PWSUYJOCSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573599371 947455593 /nfs/dbraw/zinc/45/55/93/947455593.db2.gz XLGOXHIJMZGIRU-PWSUYJOCSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573599373 947455911 /nfs/dbraw/zinc/45/59/11/947455911.db2.gz XLGOXHIJMZGIRU-ZYHUDNBSSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573599373 947455903 /nfs/dbraw/zinc/45/59/03/947455903.db2.gz XLGOXHIJMZGIRU-ZYHUDNBSSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573599625 947457907 /nfs/dbraw/zinc/45/79/07/947457907.db2.gz YWSORSZBJVMPCA-NEPJUHHUSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573599625 947457900 /nfs/dbraw/zinc/45/79/00/947457900.db2.gz YWSORSZBJVMPCA-NEPJUHHUSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573599626 947457497 /nfs/dbraw/zinc/45/74/97/947457497.db2.gz YWSORSZBJVMPCA-NWDGAFQWSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573599626 947457491 /nfs/dbraw/zinc/45/74/91/947457491.db2.gz YWSORSZBJVMPCA-NWDGAFQWSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573599627 947456894 /nfs/dbraw/zinc/45/68/94/947456894.db2.gz YWSORSZBJVMPCA-RYUDHWBXSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573599627 947456885 /nfs/dbraw/zinc/45/68/85/947456885.db2.gz YWSORSZBJVMPCA-RYUDHWBXSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573599628 947458552 /nfs/dbraw/zinc/45/85/52/947458552.db2.gz YWSORSZBJVMPCA-VXGBXAGGSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573599628 947458549 /nfs/dbraw/zinc/45/85/49/947458549.db2.gz YWSORSZBJVMPCA-VXGBXAGGSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573599657 947460821 /nfs/dbraw/zinc/46/08/21/947460821.db2.gz ZEBUTCBSCNEXIS-CMPLNLGQSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573599657 947460815 /nfs/dbraw/zinc/46/08/15/947460815.db2.gz ZEBUTCBSCNEXIS-CMPLNLGQSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573599658 947460253 /nfs/dbraw/zinc/46/02/53/947460253.db2.gz ZEBUTCBSCNEXIS-JQWIXIFHSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573599658 947460246 /nfs/dbraw/zinc/46/02/46/947460246.db2.gz ZEBUTCBSCNEXIS-JQWIXIFHSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573599659 947460508 /nfs/dbraw/zinc/46/05/08/947460508.db2.gz ZEBUTCBSCNEXIS-PWSUYJOCSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573599659 947460495 /nfs/dbraw/zinc/46/04/95/947460495.db2.gz ZEBUTCBSCNEXIS-PWSUYJOCSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573599660 947460627 /nfs/dbraw/zinc/46/06/27/947460627.db2.gz ZEBUTCBSCNEXIS-ZYHUDNBSSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573599660 947460619 /nfs/dbraw/zinc/46/06/19/947460619.db2.gz ZEBUTCBSCNEXIS-ZYHUDNBSSA-N -1 1 386.420 -0.575 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573599707 947459839 /nfs/dbraw/zinc/45/98/39/947459839.db2.gz ZTJBADHBEBKNKX-CHWSQXEVSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573599707 947459834 /nfs/dbraw/zinc/45/98/34/947459834.db2.gz ZTJBADHBEBKNKX-CHWSQXEVSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573599710 947459731 /nfs/dbraw/zinc/45/97/31/947459731.db2.gz ZTJBADHBEBKNKX-OLZOCXBDSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573599710 947459727 /nfs/dbraw/zinc/45/97/27/947459727.db2.gz ZTJBADHBEBKNKX-OLZOCXBDSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573599712 947461318 /nfs/dbraw/zinc/46/13/18/947461318.db2.gz ZTJBADHBEBKNKX-QWHCGFSZSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573599712 947461311 /nfs/dbraw/zinc/46/13/11/947461311.db2.gz ZTJBADHBEBKNKX-QWHCGFSZSA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573599714 947461217 /nfs/dbraw/zinc/46/12/17/947461217.db2.gz ZTJBADHBEBKNKX-STQMWFEESA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573599714 947461212 /nfs/dbraw/zinc/46/12/12/947461212.db2.gz ZTJBADHBEBKNKX-STQMWFEESA-N -1 1 385.432 -0.025 20 0 GBADMM C[C@H](C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n1cnc(-c2nn[n-]n2)n1 ZINC001573602940 947474523 /nfs/dbraw/zinc/47/45/23/947474523.db2.gz CAQQZJRJYRSVEV-SFYZADRCSA-N -1 1 378.315 -0.847 20 0 GBADMM C[C@@H](C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n1cnc(-c2nn[n-]n2)n1 ZINC001573602941 947472917 /nfs/dbraw/zinc/47/29/17/947472917.db2.gz CAQQZJRJYRSVEV-YUMQZZPRSA-N -1 1 378.315 -0.847 20 0 GBADMM C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573603116 947479845 /nfs/dbraw/zinc/47/98/45/947479845.db2.gz COUITPQMJAJRJH-SECBINFHSA-N -1 1 387.370 -0.169 20 0 GBADMM C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573603118 947478842 /nfs/dbraw/zinc/47/88/42/947478842.db2.gz COUITPQMJAJRJH-VIFPVBQESA-N -1 1 387.370 -0.169 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573603802 947499021 /nfs/dbraw/zinc/49/90/21/947499021.db2.gz KFBZNMZEMLAVEV-LLVKDONJSA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573603802 947499015 /nfs/dbraw/zinc/49/90/15/947499015.db2.gz KFBZNMZEMLAVEV-LLVKDONJSA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573603803 947500755 /nfs/dbraw/zinc/50/07/55/947500755.db2.gz KFBZNMZEMLAVEV-NSHDSACASA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573603803 947500745 /nfs/dbraw/zinc/50/07/45/947500745.db2.gz KFBZNMZEMLAVEV-NSHDSACASA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)N1C(=O)CCC1=O ZINC001573604507 947513247 /nfs/dbraw/zinc/51/32/47/947513247.db2.gz VEDLUJACOHEUPJ-JTQLQIEISA-N -1 1 387.404 -0.911 20 0 GBADMM C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)N1C(=O)CCC1=O ZINC001573604507 947513238 /nfs/dbraw/zinc/51/32/38/947513238.db2.gz VEDLUJACOHEUPJ-JTQLQIEISA-N -1 1 387.404 -0.911 20 0 GBADMM C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)N1C(=O)CCC1=O ZINC001573604509 947513964 /nfs/dbraw/zinc/51/39/64/947513964.db2.gz VEDLUJACOHEUPJ-SNVBAGLBSA-N -1 1 387.404 -0.911 20 0 GBADMM C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)N1C(=O)CCC1=O ZINC001573604509 947513958 /nfs/dbraw/zinc/51/39/58/947513958.db2.gz VEDLUJACOHEUPJ-SNVBAGLBSA-N -1 1 387.404 -0.911 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001573605292 947528268 /nfs/dbraw/zinc/52/82/68/947528268.db2.gz VCTXVGOFVSFJRO-AAEUAGOBSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001573605292 947528256 /nfs/dbraw/zinc/52/82/56/947528256.db2.gz VCTXVGOFVSFJRO-AAEUAGOBSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001573605293 947528562 /nfs/dbraw/zinc/52/85/62/947528562.db2.gz VCTXVGOFVSFJRO-DGCLKSJQSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001573605293 947528551 /nfs/dbraw/zinc/52/85/51/947528551.db2.gz VCTXVGOFVSFJRO-DGCLKSJQSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001573605294 947530395 /nfs/dbraw/zinc/53/03/95/947530395.db2.gz VCTXVGOFVSFJRO-WCQYABFASA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001573605294 947530385 /nfs/dbraw/zinc/53/03/85/947530385.db2.gz VCTXVGOFVSFJRO-WCQYABFASA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001573605295 947529628 /nfs/dbraw/zinc/52/96/28/947529628.db2.gz VCTXVGOFVSFJRO-YPMHNXCESA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001573605295 947529615 /nfs/dbraw/zinc/52/96/15/947529615.db2.gz VCTXVGOFVSFJRO-YPMHNXCESA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573606891 947534330 /nfs/dbraw/zinc/53/43/30/947534330.db2.gz ACIZQSCEOGZGOP-LLVKDONJSA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573606891 947534319 /nfs/dbraw/zinc/53/43/19/947534319.db2.gz ACIZQSCEOGZGOP-LLVKDONJSA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573606892 947534076 /nfs/dbraw/zinc/53/40/76/947534076.db2.gz ACIZQSCEOGZGOP-NSHDSACASA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573606892 947534067 /nfs/dbraw/zinc/53/40/67/947534067.db2.gz ACIZQSCEOGZGOP-NSHDSACASA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573607103 947540734 /nfs/dbraw/zinc/54/07/34/947540734.db2.gz FPLPYSZWTABNCP-LLVKDONJSA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573607103 947540724 /nfs/dbraw/zinc/54/07/24/947540724.db2.gz FPLPYSZWTABNCP-LLVKDONJSA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573607104 947539747 /nfs/dbraw/zinc/53/97/47/947539747.db2.gz FPLPYSZWTABNCP-NSHDSACASA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573607104 947539736 /nfs/dbraw/zinc/53/97/36/947539736.db2.gz FPLPYSZWTABNCP-NSHDSACASA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001573607267 947545528 /nfs/dbraw/zinc/54/55/28/947545528.db2.gz INEKMNLRNOGUKI-NEPJUHHUSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001573607267 947545524 /nfs/dbraw/zinc/54/55/24/947545524.db2.gz INEKMNLRNOGUKI-NEPJUHHUSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001573607268 947545604 /nfs/dbraw/zinc/54/56/04/947545604.db2.gz INEKMNLRNOGUKI-NWDGAFQWSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001573607268 947545592 /nfs/dbraw/zinc/54/55/92/947545592.db2.gz INEKMNLRNOGUKI-NWDGAFQWSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001573607269 947544497 /nfs/dbraw/zinc/54/44/97/947544497.db2.gz INEKMNLRNOGUKI-RYUDHWBXSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001573607269 947544482 /nfs/dbraw/zinc/54/44/82/947544482.db2.gz INEKMNLRNOGUKI-RYUDHWBXSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001573607270 947544155 /nfs/dbraw/zinc/54/41/55/947544155.db2.gz INEKMNLRNOGUKI-VXGBXAGGSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001573607270 947544146 /nfs/dbraw/zinc/54/41/46/947544146.db2.gz INEKMNLRNOGUKI-VXGBXAGGSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573607444 947548640 /nfs/dbraw/zinc/54/86/40/947548640.db2.gz NLQYBTZLYPSVME-NEPJUHHUSA-N -1 1 376.421 -0.874 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573607446 947549759 /nfs/dbraw/zinc/54/97/59/947549759.db2.gz NLQYBTZLYPSVME-NWDGAFQWSA-N -1 1 376.421 -0.874 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573607449 947548977 /nfs/dbraw/zinc/54/89/77/947548977.db2.gz NLQYBTZLYPSVME-RYUDHWBXSA-N -1 1 376.421 -0.874 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573607451 947549098 /nfs/dbraw/zinc/54/90/98/947549098.db2.gz NLQYBTZLYPSVME-VXGBXAGGSA-N -1 1 376.421 -0.874 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573607652 947551789 /nfs/dbraw/zinc/55/17/89/947551789.db2.gz QMJHBLCTDNLFIS-AAEUAGOBSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001573607652 947551783 /nfs/dbraw/zinc/55/17/83/947551783.db2.gz QMJHBLCTDNLFIS-AAEUAGOBSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573607653 947551134 /nfs/dbraw/zinc/55/11/34/947551134.db2.gz QMJHBLCTDNLFIS-DGCLKSJQSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001573607653 947551128 /nfs/dbraw/zinc/55/11/28/947551128.db2.gz QMJHBLCTDNLFIS-DGCLKSJQSA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573607654 947551589 /nfs/dbraw/zinc/55/15/89/947551589.db2.gz QMJHBLCTDNLFIS-WCQYABFASA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001573607654 947551587 /nfs/dbraw/zinc/55/15/87/947551587.db2.gz QMJHBLCTDNLFIS-WCQYABFASA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573607655 947550808 /nfs/dbraw/zinc/55/08/08/947550808.db2.gz QMJHBLCTDNLFIS-YPMHNXCESA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001573607655 947550796 /nfs/dbraw/zinc/55/07/96/947550796.db2.gz QMJHBLCTDNLFIS-YPMHNXCESA-N -1 1 376.421 -0.295 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573607813 947552720 /nfs/dbraw/zinc/55/27/20/947552720.db2.gz RUACNXAYYBWZIS-LLVKDONJSA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573607813 947552709 /nfs/dbraw/zinc/55/27/09/947552709.db2.gz RUACNXAYYBWZIS-LLVKDONJSA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573607814 947553673 /nfs/dbraw/zinc/55/36/73/947553673.db2.gz RUACNXAYYBWZIS-NSHDSACASA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573607814 947553669 /nfs/dbraw/zinc/55/36/69/947553669.db2.gz RUACNXAYYBWZIS-NSHDSACASA-N -1 1 386.420 -0.573 20 0 GBADMM C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573608416 947561311 /nfs/dbraw/zinc/56/13/11/947561311.db2.gz ZOGRFNLERILVKI-GFCCVEGCSA-N -1 1 383.416 -0.490 20 0 GBADMM C[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573608421 947561566 /nfs/dbraw/zinc/56/15/66/947561566.db2.gz ZOGRFNLERILVKI-LBPRGKRZSA-N -1 1 383.416 -0.490 20 0 GBADMM C[C@H](C(=O)N1CCC(C(=O)N2CCOCC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573613577 947564546 /nfs/dbraw/zinc/56/45/46/947564546.db2.gz CTLQBKATQCXPEA-LLVKDONJSA-N -1 1 389.420 -0.883 20 0 GBADMM C[C@@H](C(=O)N1CCC(C(=O)N2CCOCC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573613578 947565086 /nfs/dbraw/zinc/56/50/86/947565086.db2.gz CTLQBKATQCXPEA-NSHDSACASA-N -1 1 389.420 -0.883 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573613593 947565384 /nfs/dbraw/zinc/56/53/84/947565384.db2.gz CZSDCSGZRRIJFQ-GARJFASQSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573613593 947565383 /nfs/dbraw/zinc/56/53/83/947565383.db2.gz CZSDCSGZRRIJFQ-GARJFASQSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573613594 947567180 /nfs/dbraw/zinc/56/71/80/947567180.db2.gz CZSDCSGZRRIJFQ-MXWKQRLJSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573613594 947567171 /nfs/dbraw/zinc/56/71/71/947567171.db2.gz CZSDCSGZRRIJFQ-MXWKQRLJSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573614042 947576287 /nfs/dbraw/zinc/57/62/87/947576287.db2.gz KLSKKBNTTASKPX-GARJFASQSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573614042 947576278 /nfs/dbraw/zinc/57/62/78/947576278.db2.gz KLSKKBNTTASKPX-GARJFASQSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573614044 947575736 /nfs/dbraw/zinc/57/57/36/947575736.db2.gz KLSKKBNTTASKPX-MXWKQRLJSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573614044 947575728 /nfs/dbraw/zinc/57/57/28/947575728.db2.gz KLSKKBNTTASKPX-MXWKQRLJSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573614074 947576106 /nfs/dbraw/zinc/57/61/06/947576106.db2.gz KNLRVYDYRSJWBM-SDDRHHMPSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573614075 947576062 /nfs/dbraw/zinc/57/60/62/947576062.db2.gz KNLRVYDYRSJWBM-UTUOFQBUSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573614193 947581201 /nfs/dbraw/zinc/58/12/01/947581201.db2.gz CYUPCWKHJREMBQ-NEPJUHHUSA-N -1 1 382.432 -0.124 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573614194 947580765 /nfs/dbraw/zinc/58/07/65/947580765.db2.gz CYUPCWKHJREMBQ-NWDGAFQWSA-N -1 1 382.432 -0.124 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573614195 947580545 /nfs/dbraw/zinc/58/05/45/947580545.db2.gz CYUPCWKHJREMBQ-RYUDHWBXSA-N -1 1 382.432 -0.124 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573614196 947580849 /nfs/dbraw/zinc/58/08/49/947580849.db2.gz CYUPCWKHJREMBQ-VXGBXAGGSA-N -1 1 382.432 -0.124 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573614272 947580344 /nfs/dbraw/zinc/58/03/44/947580344.db2.gz LJSXGDUZDRJHDZ-GARJFASQSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573614272 947580338 /nfs/dbraw/zinc/58/03/38/947580338.db2.gz LJSXGDUZDRJHDZ-GARJFASQSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573614273 947580654 /nfs/dbraw/zinc/58/06/54/947580654.db2.gz LJSXGDUZDRJHDZ-MXWKQRLJSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573614273 947580645 /nfs/dbraw/zinc/58/06/45/947580645.db2.gz LJSXGDUZDRJHDZ-MXWKQRLJSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573614363 947582779 /nfs/dbraw/zinc/58/27/79/947582779.db2.gz MDIUWFNGVKXYHD-SDDRHHMPSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573614363 947582774 /nfs/dbraw/zinc/58/27/74/947582774.db2.gz MDIUWFNGVKXYHD-SDDRHHMPSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573614365 947584509 /nfs/dbraw/zinc/58/45/09/947584509.db2.gz MDIUWFNGVKXYHD-UTUOFQBUSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573614365 947584500 /nfs/dbraw/zinc/58/45/00/947584500.db2.gz MDIUWFNGVKXYHD-UTUOFQBUSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573614371 947584162 /nfs/dbraw/zinc/58/41/62/947584162.db2.gz DRRIEIVPOKIGOS-NEPJUHHUSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573614372 947583447 /nfs/dbraw/zinc/58/34/47/947583447.db2.gz DRRIEIVPOKIGOS-NWDGAFQWSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573614373 947583363 /nfs/dbraw/zinc/58/33/63/947583363.db2.gz DRRIEIVPOKIGOS-RYUDHWBXSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573614374 947583386 /nfs/dbraw/zinc/58/33/86/947583386.db2.gz DRRIEIVPOKIGOS-VXGBXAGGSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573614725 947590880 /nfs/dbraw/zinc/59/08/80/947590880.db2.gz OLDRLBKMRXDIGF-SDDRHHMPSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573614725 947590870 /nfs/dbraw/zinc/59/08/70/947590870.db2.gz OLDRLBKMRXDIGF-SDDRHHMPSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573614727 947589730 /nfs/dbraw/zinc/58/97/30/947589730.db2.gz OLDRLBKMRXDIGF-UTUOFQBUSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573614727 947589720 /nfs/dbraw/zinc/58/97/20/947589720.db2.gz OLDRLBKMRXDIGF-UTUOFQBUSA-N -1 1 381.404 -0.311 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573614835 947593765 /nfs/dbraw/zinc/59/37/65/947593765.db2.gz ACIFDBRPXMNBIA-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573614836 947592979 /nfs/dbraw/zinc/59/29/79/947592979.db2.gz ACIFDBRPXMNBIA-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573614837 947593434 /nfs/dbraw/zinc/59/34/34/947593434.db2.gz ACIFDBRPXMNBIA-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573614838 947593737 /nfs/dbraw/zinc/59/37/37/947593737.db2.gz ACIFDBRPXMNBIA-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CCC([C@@H](O)c2nccn2C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615043 947598527 /nfs/dbraw/zinc/59/85/27/947598527.db2.gz PTXFGXCLSSJLOE-CMPLNLGQSA-N -1 1 386.420 -0.275 20 0 GBADMM C[C@@H](C(=O)N1CCC([C@H](O)c2nccn2C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615045 947597583 /nfs/dbraw/zinc/59/75/83/947597583.db2.gz PTXFGXCLSSJLOE-JQWIXIFHSA-N -1 1 386.420 -0.275 20 0 GBADMM C[C@H](C(=O)N1CCC([C@H](O)c2nccn2C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615048 947597277 /nfs/dbraw/zinc/59/72/77/947597277.db2.gz PTXFGXCLSSJLOE-PWSUYJOCSA-N -1 1 386.420 -0.275 20 0 GBADMM C[C@H](C(=O)N1CCC([C@@H](O)c2nccn2C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615049 947597873 /nfs/dbraw/zinc/59/78/73/947597873.db2.gz PTXFGXCLSSJLOE-ZYHUDNBSSA-N -1 1 386.420 -0.275 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573615100 947598187 /nfs/dbraw/zinc/59/81/87/947598187.db2.gz QYHDHQQAMZCGED-GARJFASQSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573615101 947597660 /nfs/dbraw/zinc/59/76/60/947597660.db2.gz QYHDHQQAMZCGED-MXWKQRLJSA-N -1 1 392.445 -0.731 20 0 GBADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573615145 947599251 /nfs/dbraw/zinc/59/92/51/947599251.db2.gz HYMUYSZTWILDLQ-LLVKDONJSA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573615146 947599381 /nfs/dbraw/zinc/59/93/81/947599381.db2.gz HYMUYSZTWILDLQ-NSHDSACASA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573615594 947606169 /nfs/dbraw/zinc/60/61/69/947606169.db2.gz SWUUSVKPWPIIDK-BDJLRTHQSA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573615595 947605889 /nfs/dbraw/zinc/60/58/89/947605889.db2.gz SWUUSVKPWPIIDK-BZNIZROVSA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573615596 947607015 /nfs/dbraw/zinc/60/70/15/947607015.db2.gz SWUUSVKPWPIIDK-MEDUHNTESA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573615597 947605924 /nfs/dbraw/zinc/60/59/24/947605924.db2.gz SWUUSVKPWPIIDK-ZBEGNZNMSA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573615678 947609436 /nfs/dbraw/zinc/60/94/36/947609436.db2.gz FRTXPZSUCMHZDI-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573615678 947609432 /nfs/dbraw/zinc/60/94/32/947609432.db2.gz FRTXPZSUCMHZDI-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573615680 947608274 /nfs/dbraw/zinc/60/82/74/947608274.db2.gz FRTXPZSUCMHZDI-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573615680 947608270 /nfs/dbraw/zinc/60/82/70/947608270.db2.gz FRTXPZSUCMHZDI-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573615682 947609185 /nfs/dbraw/zinc/60/91/85/947609185.db2.gz FRTXPZSUCMHZDI-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573615682 947609179 /nfs/dbraw/zinc/60/91/79/947609179.db2.gz FRTXPZSUCMHZDI-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573615684 947607917 /nfs/dbraw/zinc/60/79/17/947607917.db2.gz FRTXPZSUCMHZDI-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573615684 947607909 /nfs/dbraw/zinc/60/79/09/947607909.db2.gz FRTXPZSUCMHZDI-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615914 947612757 /nfs/dbraw/zinc/61/27/57/947612757.db2.gz LDCYBAIYBFBLLF-BJOHPYRUSA-N -1 1 375.393 -0.244 20 0 GBADMM C[C@H](C(=O)N1CCC([C@]2(C)COC(=O)N2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615921 947612937 /nfs/dbraw/zinc/61/29/37/947612937.db2.gz LDCYBAIYBFBLLF-PSLIRLAXSA-N -1 1 375.393 -0.244 20 0 GBADMM C[C@H](C(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615926 947612918 /nfs/dbraw/zinc/61/29/18/947612918.db2.gz LDCYBAIYBFBLLF-RFAUZJTJSA-N -1 1 375.393 -0.244 20 0 GBADMM C[C@@H](C(=O)N1CCC([C@]2(C)COC(=O)N2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615929 947613799 /nfs/dbraw/zinc/61/37/99/947613799.db2.gz LDCYBAIYBFBLLF-VFZGTOFNSA-N -1 1 375.393 -0.244 20 0 GBADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573616034 947614520 /nfs/dbraw/zinc/61/45/20/947614520.db2.gz HCPGJWZXSJWYGY-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573616034 947614512 /nfs/dbraw/zinc/61/45/12/947614512.db2.gz HCPGJWZXSJWYGY-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573616038 947615723 /nfs/dbraw/zinc/61/57/23/947615723.db2.gz HCPGJWZXSJWYGY-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573616038 947615714 /nfs/dbraw/zinc/61/57/14/947615714.db2.gz HCPGJWZXSJWYGY-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573616285 947621677 /nfs/dbraw/zinc/62/16/77/947621677.db2.gz MPIBKYUBULHKSN-NEPJUHHUSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573616285 947621670 /nfs/dbraw/zinc/62/16/70/947621670.db2.gz MPIBKYUBULHKSN-NEPJUHHUSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573616287 947621309 /nfs/dbraw/zinc/62/13/09/947621309.db2.gz MPIBKYUBULHKSN-NWDGAFQWSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573616287 947621303 /nfs/dbraw/zinc/62/13/03/947621303.db2.gz MPIBKYUBULHKSN-NWDGAFQWSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573616290 947620970 /nfs/dbraw/zinc/62/09/70/947620970.db2.gz MPIBKYUBULHKSN-RYUDHWBXSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573616290 947620963 /nfs/dbraw/zinc/62/09/63/947620963.db2.gz MPIBKYUBULHKSN-RYUDHWBXSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573616291 947621205 /nfs/dbraw/zinc/62/12/05/947621205.db2.gz MPIBKYUBULHKSN-VXGBXAGGSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573616291 947621198 /nfs/dbraw/zinc/62/11/98/947621198.db2.gz MPIBKYUBULHKSN-VXGBXAGGSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573616680 947625388 /nfs/dbraw/zinc/62/53/88/947625388.db2.gz MXINVTYOCDGXFU-NEPJUHHUSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573616680 947625386 /nfs/dbraw/zinc/62/53/86/947625386.db2.gz MXINVTYOCDGXFU-NEPJUHHUSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573616681 947625108 /nfs/dbraw/zinc/62/51/08/947625108.db2.gz MXINVTYOCDGXFU-NWDGAFQWSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573616681 947625101 /nfs/dbraw/zinc/62/51/01/947625101.db2.gz MXINVTYOCDGXFU-NWDGAFQWSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573616682 947625189 /nfs/dbraw/zinc/62/51/89/947625189.db2.gz MXINVTYOCDGXFU-RYUDHWBXSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573616682 947625184 /nfs/dbraw/zinc/62/51/84/947625184.db2.gz MXINVTYOCDGXFU-RYUDHWBXSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573616684 947625313 /nfs/dbraw/zinc/62/53/13/947625313.db2.gz MXINVTYOCDGXFU-VXGBXAGGSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573616684 947625308 /nfs/dbraw/zinc/62/53/08/947625308.db2.gz MXINVTYOCDGXFU-VXGBXAGGSA-N -1 1 383.420 -0.206 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573616838 947630207 /nfs/dbraw/zinc/63/02/07/947630207.db2.gz JLDYLRSPYQTFIE-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573616838 947630199 /nfs/dbraw/zinc/63/01/99/947630199.db2.gz JLDYLRSPYQTFIE-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573616839 947630125 /nfs/dbraw/zinc/63/01/25/947630125.db2.gz YVMXWYROSUHDBZ-APPDUMDISA-N -1 1 381.400 -0.325 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573616840 947630071 /nfs/dbraw/zinc/63/00/71/947630071.db2.gz JLDYLRSPYQTFIE-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573616840 947630064 /nfs/dbraw/zinc/63/00/64/947630064.db2.gz JLDYLRSPYQTFIE-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573616841 947630158 /nfs/dbraw/zinc/63/01/58/947630158.db2.gz YVMXWYROSUHDBZ-DIFFPNOSSA-N -1 1 381.400 -0.325 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573616842 947629579 /nfs/dbraw/zinc/62/95/79/947629579.db2.gz JLDYLRSPYQTFIE-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573616842 947629573 /nfs/dbraw/zinc/62/95/73/947629573.db2.gz JLDYLRSPYQTFIE-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573616843 947629414 /nfs/dbraw/zinc/62/94/14/947629414.db2.gz YVMXWYROSUHDBZ-GTNSWQLSSA-N -1 1 381.400 -0.325 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573616844 947629934 /nfs/dbraw/zinc/62/99/34/947629934.db2.gz JLDYLRSPYQTFIE-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573616844 947629931 /nfs/dbraw/zinc/62/99/31/947629931.db2.gz JLDYLRSPYQTFIE-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573616846 947629653 /nfs/dbraw/zinc/62/96/53/947629653.db2.gz YVMXWYROSUHDBZ-PIGZYNQJSA-N -1 1 381.400 -0.325 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573617346 947634456 /nfs/dbraw/zinc/63/44/56/947634456.db2.gz LHFIUJYVMPTTPS-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573617346 947634451 /nfs/dbraw/zinc/63/44/51/947634451.db2.gz LHFIUJYVMPTTPS-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573617350 947635052 /nfs/dbraw/zinc/63/50/52/947635052.db2.gz LHFIUJYVMPTTPS-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573617350 947635046 /nfs/dbraw/zinc/63/50/46/947635046.db2.gz LHFIUJYVMPTTPS-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573617354 947634054 /nfs/dbraw/zinc/63/40/54/947634054.db2.gz LHFIUJYVMPTTPS-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573617354 947634046 /nfs/dbraw/zinc/63/40/46/947634046.db2.gz LHFIUJYVMPTTPS-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573617358 947634078 /nfs/dbraw/zinc/63/40/78/947634078.db2.gz LHFIUJYVMPTTPS-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573617358 947634069 /nfs/dbraw/zinc/63/40/69/947634069.db2.gz LHFIUJYVMPTTPS-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](C(=O)N1CCC(CN=S(C)(C)=O)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573617930 947642894 /nfs/dbraw/zinc/64/28/94/947642894.db2.gz QZLNUDRQDBDRAP-JTQLQIEISA-N -1 1 381.466 -0.015 20 0 GBADMM C[C@H](C(=O)N1CCC(CN=S(C)(C)=O)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573617931 947642785 /nfs/dbraw/zinc/64/27/85/947642785.db2.gz QZLNUDRQDBDRAP-SNVBAGLBSA-N -1 1 381.466 -0.015 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573618300 947648432 /nfs/dbraw/zinc/64/84/32/947648432.db2.gz QKOLZOIDGJPNFL-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573618300 947648425 /nfs/dbraw/zinc/64/84/25/947648425.db2.gz QKOLZOIDGJPNFL-NXEZZACHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573618302 947648326 /nfs/dbraw/zinc/64/83/26/947648326.db2.gz QKOLZOIDGJPNFL-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573618302 947648322 /nfs/dbraw/zinc/64/83/22/947648322.db2.gz QKOLZOIDGJPNFL-UWVGGRQHSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573618304 947648381 /nfs/dbraw/zinc/64/83/81/947648381.db2.gz QKOLZOIDGJPNFL-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573618304 947648374 /nfs/dbraw/zinc/64/83/74/947648374.db2.gz QKOLZOIDGJPNFL-VHSXEESVSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573618306 947648111 /nfs/dbraw/zinc/64/81/11/947648111.db2.gz QKOLZOIDGJPNFL-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573618306 947648107 /nfs/dbraw/zinc/64/81/07/947648107.db2.gz QKOLZOIDGJPNFL-ZJUUUORDSA-N -1 1 380.434 -0.873 20 0 GBADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573619233 947663047 /nfs/dbraw/zinc/66/30/47/947663047.db2.gz UZZWDKPUJVLDNV-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573619233 947663037 /nfs/dbraw/zinc/66/30/37/947663037.db2.gz UZZWDKPUJVLDNV-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573619235 947663542 /nfs/dbraw/zinc/66/35/42/947663542.db2.gz UZZWDKPUJVLDNV-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573619235 947663535 /nfs/dbraw/zinc/66/35/35/947663535.db2.gz UZZWDKPUJVLDNV-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573619987 947673353 /nfs/dbraw/zinc/67/33/53/947673353.db2.gz ZHFJQFDFSVIYHH-LLVKDONJSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573619988 947673536 /nfs/dbraw/zinc/67/35/36/947673536.db2.gz ZHFJQFDFSVIYHH-NSHDSACASA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573622495 947681391 /nfs/dbraw/zinc/68/13/91/947681391.db2.gz AGSBOILEZJWWNC-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573622495 947681384 /nfs/dbraw/zinc/68/13/84/947681384.db2.gz AGSBOILEZJWWNC-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573622497 947681360 /nfs/dbraw/zinc/68/13/60/947681360.db2.gz AGSBOILEZJWWNC-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573622497 947681353 /nfs/dbraw/zinc/68/13/53/947681353.db2.gz AGSBOILEZJWWNC-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001573622887 947684376 /nfs/dbraw/zinc/68/43/76/947684376.db2.gz CGIVFEBFGASILU-CMPLNLGQSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001573622887 947684368 /nfs/dbraw/zinc/68/43/68/947684368.db2.gz CGIVFEBFGASILU-CMPLNLGQSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573622889 947684019 /nfs/dbraw/zinc/68/40/19/947684019.db2.gz CGIVFEBFGASILU-JQWIXIFHSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573622889 947684009 /nfs/dbraw/zinc/68/40/09/947684009.db2.gz CGIVFEBFGASILU-JQWIXIFHSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573622890 947683878 /nfs/dbraw/zinc/68/38/78/947683878.db2.gz CGIVFEBFGASILU-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573622890 947683870 /nfs/dbraw/zinc/68/38/70/947683870.db2.gz CGIVFEBFGASILU-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001573622892 947682656 /nfs/dbraw/zinc/68/26/56/947682656.db2.gz CGIVFEBFGASILU-ZYHUDNBSSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001573622892 947682645 /nfs/dbraw/zinc/68/26/45/947682645.db2.gz CGIVFEBFGASILU-ZYHUDNBSSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573623406 947688345 /nfs/dbraw/zinc/68/83/45/947688345.db2.gz FJGGKNAQMMIOIZ-CMPLNLGQSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573623406 947688335 /nfs/dbraw/zinc/68/83/35/947688335.db2.gz FJGGKNAQMMIOIZ-CMPLNLGQSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623407 947687641 /nfs/dbraw/zinc/68/76/41/947687641.db2.gz FJGGKNAQMMIOIZ-JQWIXIFHSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623407 947687634 /nfs/dbraw/zinc/68/76/34/947687634.db2.gz FJGGKNAQMMIOIZ-JQWIXIFHSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623408 947687391 /nfs/dbraw/zinc/68/73/91/947687391.db2.gz FJGGKNAQMMIOIZ-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623408 947687381 /nfs/dbraw/zinc/68/73/81/947687381.db2.gz FJGGKNAQMMIOIZ-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573623409 947687835 /nfs/dbraw/zinc/68/78/35/947687835.db2.gz FJGGKNAQMMIOIZ-ZYHUDNBSSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573623409 947687828 /nfs/dbraw/zinc/68/78/28/947687828.db2.gz FJGGKNAQMMIOIZ-ZYHUDNBSSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573623781 947691262 /nfs/dbraw/zinc/69/12/62/947691262.db2.gz ILMNMKKAIVDZRL-CMPLNLGQSA-N -1 1 385.432 -0.604 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623783 947692950 /nfs/dbraw/zinc/69/29/50/947692950.db2.gz ILMNMKKAIVDZRL-JQWIXIFHSA-N -1 1 385.432 -0.604 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623785 947691552 /nfs/dbraw/zinc/69/15/52/947691552.db2.gz ILMNMKKAIVDZRL-PWSUYJOCSA-N -1 1 385.432 -0.604 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573623788 947692502 /nfs/dbraw/zinc/69/25/02/947692502.db2.gz ILMNMKKAIVDZRL-ZYHUDNBSSA-N -1 1 385.432 -0.604 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC001573625229 947699662 /nfs/dbraw/zinc/69/96/62/947699662.db2.gz OEHIUHZFLGYPFB-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC001573625229 947699653 /nfs/dbraw/zinc/69/96/53/947699653.db2.gz OEHIUHZFLGYPFB-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC001573625230 947699348 /nfs/dbraw/zinc/69/93/48/947699348.db2.gz OEHIUHZFLGYPFB-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC001573625230 947699340 /nfs/dbraw/zinc/69/93/40/947699340.db2.gz OEHIUHZFLGYPFB-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573625642 947703594 /nfs/dbraw/zinc/70/35/94/947703594.db2.gz PULMZTLLRAPALX-CMPLNLGQSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573625642 947703587 /nfs/dbraw/zinc/70/35/87/947703587.db2.gz PULMZTLLRAPALX-CMPLNLGQSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573625643 947702913 /nfs/dbraw/zinc/70/29/13/947702913.db2.gz PULMZTLLRAPALX-JQWIXIFHSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573625643 947702906 /nfs/dbraw/zinc/70/29/06/947702906.db2.gz PULMZTLLRAPALX-JQWIXIFHSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573625644 947703011 /nfs/dbraw/zinc/70/30/11/947703011.db2.gz PULMZTLLRAPALX-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573625644 947703002 /nfs/dbraw/zinc/70/30/02/947703002.db2.gz PULMZTLLRAPALX-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573625889 947703536 /nfs/dbraw/zinc/70/35/36/947703536.db2.gz PULMZTLLRAPALX-ZYHUDNBSSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573625889 947703532 /nfs/dbraw/zinc/70/35/32/947703532.db2.gz PULMZTLLRAPALX-ZYHUDNBSSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573625953 947703484 /nfs/dbraw/zinc/70/34/84/947703484.db2.gz QVTSZPWACSOYEU-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)S(C)(=O)=O ZINC001573625953 947703477 /nfs/dbraw/zinc/70/34/77/947703477.db2.gz QVTSZPWACSOYEU-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573625954 947704439 /nfs/dbraw/zinc/70/44/39/947704439.db2.gz QVTSZPWACSOYEU-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)S(C)(=O)=O ZINC001573625954 947704433 /nfs/dbraw/zinc/70/44/33/947704433.db2.gz QVTSZPWACSOYEU-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573626291 947705619 /nfs/dbraw/zinc/70/56/19/947705619.db2.gz SPLZVGCRMJXYPF-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573626291 947705608 /nfs/dbraw/zinc/70/56/08/947705608.db2.gz SPLZVGCRMJXYPF-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573626292 947707353 /nfs/dbraw/zinc/70/73/53/947707353.db2.gz SPLZVGCRMJXYPF-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573626292 947707351 /nfs/dbraw/zinc/70/73/51/947707351.db2.gz SPLZVGCRMJXYPF-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573627368 947723060 /nfs/dbraw/zinc/72/30/60/947723060.db2.gz AJMNTOBXYZCXSS-NEPJUHHUSA-N -1 1 383.420 -0.276 20 0 GBADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573627369 947721684 /nfs/dbraw/zinc/72/16/84/947721684.db2.gz AJMNTOBXYZCXSS-NWDGAFQWSA-N -1 1 383.420 -0.276 20 0 GBADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573627370 947722567 /nfs/dbraw/zinc/72/25/67/947722567.db2.gz AJMNTOBXYZCXSS-RYUDHWBXSA-N -1 1 383.420 -0.276 20 0 GBADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573627371 947721618 /nfs/dbraw/zinc/72/16/18/947721618.db2.gz AJMNTOBXYZCXSS-VXGBXAGGSA-N -1 1 383.420 -0.276 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573627572 947726251 /nfs/dbraw/zinc/72/62/51/947726251.db2.gz ATRQOLXMCAWDIB-FCHSOHFDSA-N -1 1 375.393 -0.244 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573627573 947727697 /nfs/dbraw/zinc/72/76/97/947727697.db2.gz ATRQOLXMCAWDIB-FTGAXOIBSA-N -1 1 375.393 -0.244 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573627574 947727796 /nfs/dbraw/zinc/72/77/96/947727796.db2.gz ATRQOLXMCAWDIB-HFBDOXOYSA-N -1 1 375.393 -0.244 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573627575 947726749 /nfs/dbraw/zinc/72/67/49/947726749.db2.gz ATRQOLXMCAWDIB-IQMDTDKHSA-N -1 1 375.393 -0.244 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573627614 947728562 /nfs/dbraw/zinc/72/85/62/947728562.db2.gz BBYKTIKDBHDCPE-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573627614 947728557 /nfs/dbraw/zinc/72/85/57/947728557.db2.gz BBYKTIKDBHDCPE-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573627615 947730094 /nfs/dbraw/zinc/73/00/94/947730094.db2.gz BBYKTIKDBHDCPE-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573627615 947730088 /nfs/dbraw/zinc/73/00/88/947730088.db2.gz BBYKTIKDBHDCPE-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573627944 947739448 /nfs/dbraw/zinc/73/94/48/947739448.db2.gz DBDLBBKQQFNMOA-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573627945 947740216 /nfs/dbraw/zinc/74/02/16/947740216.db2.gz DBDLBBKQQFNMOA-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573627946 947741011 /nfs/dbraw/zinc/74/10/11/947741011.db2.gz DBDLBBKQQFNMOA-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573627947 947739557 /nfs/dbraw/zinc/73/95/57/947739557.db2.gz DBDLBBKQQFNMOA-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573628152 947748868 /nfs/dbraw/zinc/74/88/68/947748868.db2.gz FQFTUYOKDKDESZ-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573628152 947748862 /nfs/dbraw/zinc/74/88/62/947748862.db2.gz FQFTUYOKDKDESZ-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573628153 947747355 /nfs/dbraw/zinc/74/73/55/947747355.db2.gz FQFTUYOKDKDESZ-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573628153 947747348 /nfs/dbraw/zinc/74/73/48/947747348.db2.gz FQFTUYOKDKDESZ-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573628154 947748185 /nfs/dbraw/zinc/74/81/85/947748185.db2.gz FQFTUYOKDKDESZ-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573628154 947748182 /nfs/dbraw/zinc/74/81/82/947748182.db2.gz FQFTUYOKDKDESZ-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573628155 947748564 /nfs/dbraw/zinc/74/85/64/947748564.db2.gz FQFTUYOKDKDESZ-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573628155 947748559 /nfs/dbraw/zinc/74/85/59/947748559.db2.gz FQFTUYOKDKDESZ-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628239 947751215 /nfs/dbraw/zinc/75/12/15/947751215.db2.gz JINJFIZLGXUVGO-HZMBPMFUSA-N -1 1 380.434 -0.554 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628240 947750461 /nfs/dbraw/zinc/75/04/61/947750461.db2.gz JINJFIZLGXUVGO-IINYFYTJSA-N -1 1 380.434 -0.554 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628241 947750287 /nfs/dbraw/zinc/75/02/87/947750287.db2.gz JINJFIZLGXUVGO-QMTHXVAHSA-N -1 1 380.434 -0.554 20 0 GBADMM C[C@H](C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628242 947751384 /nfs/dbraw/zinc/75/13/84/947751384.db2.gz JINJFIZLGXUVGO-YGRLFVJLSA-N -1 1 380.434 -0.554 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573628273 947750870 /nfs/dbraw/zinc/75/08/70/947750870.db2.gz KEDAUISWDRJHAF-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573628273 947750866 /nfs/dbraw/zinc/75/08/66/947750866.db2.gz KEDAUISWDRJHAF-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573628274 947751055 /nfs/dbraw/zinc/75/10/55/947751055.db2.gz KEDAUISWDRJHAF-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573628274 947751051 /nfs/dbraw/zinc/75/10/51/947751051.db2.gz KEDAUISWDRJHAF-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573628275 947750828 /nfs/dbraw/zinc/75/08/28/947750828.db2.gz KEDAUISWDRJHAF-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573628275 947750820 /nfs/dbraw/zinc/75/08/20/947750820.db2.gz KEDAUISWDRJHAF-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573628276 947750756 /nfs/dbraw/zinc/75/07/56/947750756.db2.gz KEDAUISWDRJHAF-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573628276 947750750 /nfs/dbraw/zinc/75/07/50/947750750.db2.gz KEDAUISWDRJHAF-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573628376 947753327 /nfs/dbraw/zinc/75/33/27/947753327.db2.gz HKQPRFAJAGBDHL-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573628376 947753317 /nfs/dbraw/zinc/75/33/17/947753317.db2.gz HKQPRFAJAGBDHL-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573628377 947753843 /nfs/dbraw/zinc/75/38/43/947753843.db2.gz HKQPRFAJAGBDHL-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573628377 947753836 /nfs/dbraw/zinc/75/38/36/947753836.db2.gz HKQPRFAJAGBDHL-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573628378 947753731 /nfs/dbraw/zinc/75/37/31/947753731.db2.gz HKQPRFAJAGBDHL-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573628378 947753724 /nfs/dbraw/zinc/75/37/24/947753724.db2.gz HKQPRFAJAGBDHL-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573628379 947754015 /nfs/dbraw/zinc/75/40/15/947754015.db2.gz HKQPRFAJAGBDHL-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573628379 947754009 /nfs/dbraw/zinc/75/40/09/947754009.db2.gz HKQPRFAJAGBDHL-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573628874 947766695 /nfs/dbraw/zinc/76/66/95/947766695.db2.gz OUJNTMKSYNAWOA-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573628876 947767569 /nfs/dbraw/zinc/76/75/69/947767569.db2.gz OUJNTMKSYNAWOA-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573628878 947767816 /nfs/dbraw/zinc/76/78/16/947767816.db2.gz OUJNTMKSYNAWOA-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573628880 947767504 /nfs/dbraw/zinc/76/75/04/947767504.db2.gz OUJNTMKSYNAWOA-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573628896 947766905 /nfs/dbraw/zinc/76/69/05/947766905.db2.gz KYZUQGMSYZKNKW-NEPJUHHUSA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573628898 947766711 /nfs/dbraw/zinc/76/67/11/947766711.db2.gz KYZUQGMSYZKNKW-NWDGAFQWSA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573628900 947766678 /nfs/dbraw/zinc/76/66/78/947766678.db2.gz KYZUQGMSYZKNKW-RYUDHWBXSA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573628902 947768048 /nfs/dbraw/zinc/76/80/48/947768048.db2.gz KYZUQGMSYZKNKW-VXGBXAGGSA-N -1 1 383.420 -0.418 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573629040 947772071 /nfs/dbraw/zinc/77/20/71/947772071.db2.gz LSLFAKLCCKYZQQ-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573629040 947772068 /nfs/dbraw/zinc/77/20/68/947772068.db2.gz LSLFAKLCCKYZQQ-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573629042 947771264 /nfs/dbraw/zinc/77/12/64/947771264.db2.gz LSLFAKLCCKYZQQ-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573629042 947771257 /nfs/dbraw/zinc/77/12/57/947771257.db2.gz LSLFAKLCCKYZQQ-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573629044 947771684 /nfs/dbraw/zinc/77/16/84/947771684.db2.gz LSLFAKLCCKYZQQ-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573629044 947771682 /nfs/dbraw/zinc/77/16/82/947771682.db2.gz LSLFAKLCCKYZQQ-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573629046 947771768 /nfs/dbraw/zinc/77/17/68/947771768.db2.gz LSLFAKLCCKYZQQ-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573629046 947771764 /nfs/dbraw/zinc/77/17/64/947771764.db2.gz LSLFAKLCCKYZQQ-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573629160 947773630 /nfs/dbraw/zinc/77/36/30/947773630.db2.gz QVZDPKGHILFLCK-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573629160 947773628 /nfs/dbraw/zinc/77/36/28/947773628.db2.gz QVZDPKGHILFLCK-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573629161 947772852 /nfs/dbraw/zinc/77/28/52/947772852.db2.gz QVZDPKGHILFLCK-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573629161 947772841 /nfs/dbraw/zinc/77/28/41/947772841.db2.gz QVZDPKGHILFLCK-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573629162 947773379 /nfs/dbraw/zinc/77/33/79/947773379.db2.gz QVZDPKGHILFLCK-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573629162 947773372 /nfs/dbraw/zinc/77/33/72/947773372.db2.gz QVZDPKGHILFLCK-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573629163 947773152 /nfs/dbraw/zinc/77/31/52/947773152.db2.gz QVZDPKGHILFLCK-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573629163 947773141 /nfs/dbraw/zinc/77/31/41/947773141.db2.gz QVZDPKGHILFLCK-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC2(CCC2)S(=O)(=O)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573629624 947782173 /nfs/dbraw/zinc/78/21/73/947782173.db2.gz OSKJSLACCGQNQI-JTQLQIEISA-N -1 1 380.434 -0.411 20 0 GBADMM C[C@H](C(=O)N1CCC2(CCC2)S(=O)(=O)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573629625 947781311 /nfs/dbraw/zinc/78/13/11/947781311.db2.gz OSKJSLACCGQNQI-SNVBAGLBSA-N -1 1 380.434 -0.411 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573629893 947786598 /nfs/dbraw/zinc/78/65/98/947786598.db2.gz WUMZSJWKKHCEHZ-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573629893 947786590 /nfs/dbraw/zinc/78/65/90/947786590.db2.gz WUMZSJWKKHCEHZ-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573629895 947786688 /nfs/dbraw/zinc/78/66/88/947786688.db2.gz WUMZSJWKKHCEHZ-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573629895 947786682 /nfs/dbraw/zinc/78/66/82/947786682.db2.gz WUMZSJWKKHCEHZ-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573629897 947786055 /nfs/dbraw/zinc/78/60/55/947786055.db2.gz WUMZSJWKKHCEHZ-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573629897 947786049 /nfs/dbraw/zinc/78/60/49/947786049.db2.gz WUMZSJWKKHCEHZ-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573629898 947785605 /nfs/dbraw/zinc/78/56/05/947785605.db2.gz WUMZSJWKKHCEHZ-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573629898 947785601 /nfs/dbraw/zinc/78/56/01/947785601.db2.gz WUMZSJWKKHCEHZ-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573630178 947787986 /nfs/dbraw/zinc/78/79/86/947787986.db2.gz RCOKNOBZNRQMEB-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573630178 947787976 /nfs/dbraw/zinc/78/79/76/947787976.db2.gz RCOKNOBZNRQMEB-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573630180 947788722 /nfs/dbraw/zinc/78/87/22/947788722.db2.gz RCOKNOBZNRQMEB-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573630180 947788715 /nfs/dbraw/zinc/78/87/15/947788715.db2.gz RCOKNOBZNRQMEB-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573630182 947787957 /nfs/dbraw/zinc/78/79/57/947787957.db2.gz RCOKNOBZNRQMEB-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573630182 947787951 /nfs/dbraw/zinc/78/79/51/947787951.db2.gz RCOKNOBZNRQMEB-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573630184 947788702 /nfs/dbraw/zinc/78/87/02/947788702.db2.gz RCOKNOBZNRQMEB-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573630184 947788696 /nfs/dbraw/zinc/78/86/96/947788696.db2.gz RCOKNOBZNRQMEB-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573630602 947793652 /nfs/dbraw/zinc/79/36/52/947793652.db2.gz ZRTBDFUVZLFJTF-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573630602 947793646 /nfs/dbraw/zinc/79/36/46/947793646.db2.gz ZRTBDFUVZLFJTF-NEPJUHHUSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573630603 947793145 /nfs/dbraw/zinc/79/31/45/947793145.db2.gz ZRTBDFUVZLFJTF-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573630603 947793140 /nfs/dbraw/zinc/79/31/40/947793140.db2.gz ZRTBDFUVZLFJTF-NWDGAFQWSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573630604 947793083 /nfs/dbraw/zinc/79/30/83/947793083.db2.gz ZRTBDFUVZLFJTF-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573630604 947793078 /nfs/dbraw/zinc/79/30/78/947793078.db2.gz ZRTBDFUVZLFJTF-RYUDHWBXSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573630605 947792331 /nfs/dbraw/zinc/79/23/31/947792331.db2.gz ZRTBDFUVZLFJTF-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573630605 947792324 /nfs/dbraw/zinc/79/23/24/947792324.db2.gz ZRTBDFUVZLFJTF-VXGBXAGGSA-N -1 1 383.420 -0.063 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573632122 947809247 /nfs/dbraw/zinc/80/92/47/947809247.db2.gz ZDIISHQLVKUJTC-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573632122 947809240 /nfs/dbraw/zinc/80/92/40/947809240.db2.gz ZDIISHQLVKUJTC-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573632124 947810964 /nfs/dbraw/zinc/81/09/64/947810964.db2.gz ZDIISHQLVKUJTC-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573632124 947810954 /nfs/dbraw/zinc/81/09/54/947810954.db2.gz ZDIISHQLVKUJTC-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573632125 947810442 /nfs/dbraw/zinc/81/04/42/947810442.db2.gz ZDIISHQLVKUJTC-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573632125 947810434 /nfs/dbraw/zinc/81/04/34/947810434.db2.gz ZDIISHQLVKUJTC-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573632126 947810066 /nfs/dbraw/zinc/81/00/66/947810066.db2.gz ZDIISHQLVKUJTC-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573632126 947810055 /nfs/dbraw/zinc/81/00/55/947810055.db2.gz ZDIISHQLVKUJTC-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637412 947811989 /nfs/dbraw/zinc/81/19/89/947811989.db2.gz BYUKHRXBHMVVDE-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637412 947811985 /nfs/dbraw/zinc/81/19/85/947811985.db2.gz BYUKHRXBHMVVDE-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573637413 947813157 /nfs/dbraw/zinc/81/31/57/947813157.db2.gz BYUKHRXBHMVVDE-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573637413 947813146 /nfs/dbraw/zinc/81/31/46/947813146.db2.gz BYUKHRXBHMVVDE-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637414 947813710 /nfs/dbraw/zinc/81/37/10/947813710.db2.gz BYUKHRXBHMVVDE-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637414 947813706 /nfs/dbraw/zinc/81/37/06/947813706.db2.gz BYUKHRXBHMVVDE-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573637415 947812663 /nfs/dbraw/zinc/81/26/63/947812663.db2.gz BYUKHRXBHMVVDE-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573637415 947812654 /nfs/dbraw/zinc/81/26/54/947812654.db2.gz BYUKHRXBHMVVDE-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573637461 947814816 /nfs/dbraw/zinc/81/48/16/947814816.db2.gz DTGQLRWDHSFNQF-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)S(C)(=O)=O ZINC001573637461 947814805 /nfs/dbraw/zinc/81/48/05/947814805.db2.gz DTGQLRWDHSFNQF-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573637462 947814371 /nfs/dbraw/zinc/81/43/71/947814371.db2.gz DTGQLRWDHSFNQF-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)S(C)(=O)=O ZINC001573637462 947814365 /nfs/dbraw/zinc/81/43/65/947814365.db2.gz DTGQLRWDHSFNQF-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC001573637513 947817963 /nfs/dbraw/zinc/81/79/63/947817963.db2.gz HFVSUHICMNOADS-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC001573637513 947817953 /nfs/dbraw/zinc/81/79/53/947817953.db2.gz HFVSUHICMNOADS-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC001573637514 947816858 /nfs/dbraw/zinc/81/68/58/947816858.db2.gz HFVSUHICMNOADS-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC001573637514 947816852 /nfs/dbraw/zinc/81/68/52/947816852.db2.gz HFVSUHICMNOADS-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637517 947817110 /nfs/dbraw/zinc/81/71/10/947817110.db2.gz HHSFOWHJBOFPHG-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637517 947817102 /nfs/dbraw/zinc/81/71/02/947817102.db2.gz HHSFOWHJBOFPHG-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573637518 947816954 /nfs/dbraw/zinc/81/69/54/947816954.db2.gz HHSFOWHJBOFPHG-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573637518 947816950 /nfs/dbraw/zinc/81/69/50/947816950.db2.gz HHSFOWHJBOFPHG-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637519 947817668 /nfs/dbraw/zinc/81/76/68/947817668.db2.gz HHSFOWHJBOFPHG-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637519 947817661 /nfs/dbraw/zinc/81/76/61/947817661.db2.gz HHSFOWHJBOFPHG-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573637520 947816644 /nfs/dbraw/zinc/81/66/44/947816644.db2.gz HHSFOWHJBOFPHG-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573637520 947816639 /nfs/dbraw/zinc/81/66/39/947816639.db2.gz HHSFOWHJBOFPHG-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637759 947824362 /nfs/dbraw/zinc/82/43/62/947824362.db2.gz PISKRYSRWRKLEV-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573637760 947824134 /nfs/dbraw/zinc/82/41/34/947824134.db2.gz PISKRYSRWRKLEV-NWDGAFQWSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637761 947824306 /nfs/dbraw/zinc/82/43/06/947824306.db2.gz PISKRYSRWRKLEV-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573637762 947824060 /nfs/dbraw/zinc/82/40/60/947824060.db2.gz PISKRYSRWRKLEV-VXGBXAGGSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573637845 947826720 /nfs/dbraw/zinc/82/67/20/947826720.db2.gz RYZFIIXRHKAOAR-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573637845 947826715 /nfs/dbraw/zinc/82/67/15/947826715.db2.gz RYZFIIXRHKAOAR-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573637846 947827841 /nfs/dbraw/zinc/82/78/41/947827841.db2.gz RYZFIIXRHKAOAR-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573637846 947827837 /nfs/dbraw/zinc/82/78/37/947827837.db2.gz RYZFIIXRHKAOAR-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCC[C@H]1C(=O)NCC(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573637960 947828290 /nfs/dbraw/zinc/82/82/90/947828290.db2.gz XHUJAUDCSPKKGE-BDAKNGLRSA-N -1 1 383.363 -0.218 20 0 GBADMM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)NCC(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573637961 947828279 /nfs/dbraw/zinc/82/82/79/947828279.db2.gz XHUJAUDCSPKKGE-IUCAKERBSA-N -1 1 383.363 -0.218 20 0 GBADMM C[C@@H](C(=O)N1CCCc2c(OCC(N)=O)cccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573637990 947829848 /nfs/dbraw/zinc/82/98/48/947829848.db2.gz AIGNSDLEXIYHIP-JTQLQIEISA-N -1 1 397.399 -0.137 20 0 GBADMM C[C@H](C(=O)N1CCCc2c(OCC(N)=O)cccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573637994 947830490 /nfs/dbraw/zinc/83/04/90/947830490.db2.gz AIGNSDLEXIYHIP-SNVBAGLBSA-N -1 1 397.399 -0.137 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573638050 947830947 /nfs/dbraw/zinc/83/09/47/947830947.db2.gz ZNOLHNLHHQMSRN-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573638050 947830935 /nfs/dbraw/zinc/83/09/35/947830935.db2.gz ZNOLHNLHHQMSRN-JTQLQIEISA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573638052 947832059 /nfs/dbraw/zinc/83/20/59/947832059.db2.gz ZNOLHNLHHQMSRN-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573638052 947832049 /nfs/dbraw/zinc/83/20/49/947832049.db2.gz ZNOLHNLHHQMSRN-SNVBAGLBSA-N -1 1 380.434 -0.872 20 0 GBADMM C[C@H](C(=O)N1CCN(CCc2cnccn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573638203 947835176 /nfs/dbraw/zinc/83/51/76/947835176.db2.gz JINNEIYSGUNNEQ-GFCCVEGCSA-N -1 1 383.420 -0.804 20 0 GBADMM C[C@@H](C(=O)N1CCN(CCc2cnccn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573638204 947836399 /nfs/dbraw/zinc/83/63/99/947836399.db2.gz JINNEIYSGUNNEQ-LBPRGKRZSA-N -1 1 383.420 -0.804 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573638586 947840725 /nfs/dbraw/zinc/84/07/25/947840725.db2.gz QZPSFJZXFHIMTK-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573638586 947840720 /nfs/dbraw/zinc/84/07/20/947840720.db2.gz QZPSFJZXFHIMTK-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573638587 947840926 /nfs/dbraw/zinc/84/09/26/947840926.db2.gz QZPSFJZXFHIMTK-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573638587 947840921 /nfs/dbraw/zinc/84/09/21/947840921.db2.gz QZPSFJZXFHIMTK-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573638618 947842620 /nfs/dbraw/zinc/84/26/20/947842620.db2.gz SFSGIHOZKJMLEN-BDAKNGLRSA-N -1 1 381.422 -0.736 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573638619 947841275 /nfs/dbraw/zinc/84/12/75/947841275.db2.gz SFSGIHOZKJMLEN-IUCAKERBSA-N -1 1 381.422 -0.736 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573638620 947841598 /nfs/dbraw/zinc/84/15/98/947841598.db2.gz SLSOSIVSMQFVEW-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573638620 947841590 /nfs/dbraw/zinc/84/15/90/947841590.db2.gz SLSOSIVSMQFVEW-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573638621 947842111 /nfs/dbraw/zinc/84/21/11/947842111.db2.gz SLSOSIVSMQFVEW-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573638621 947842105 /nfs/dbraw/zinc/84/21/05/947842105.db2.gz SLSOSIVSMQFVEW-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573640484 947852914 /nfs/dbraw/zinc/85/29/14/947852914.db2.gz HPVJXDMRXVQSDT-GXSJLCMTSA-N -1 1 380.434 -0.555 20 0 GBADMM C[C@H](C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573640487 947852366 /nfs/dbraw/zinc/85/23/66/947852366.db2.gz HPVJXDMRXVQSDT-KOLCDFICSA-N -1 1 380.434 -0.555 20 0 GBADMM C[C@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573640489 947853266 /nfs/dbraw/zinc/85/32/66/947853266.db2.gz HPVJXDMRXVQSDT-MWLCHTKSSA-N -1 1 380.434 -0.555 20 0 GBADMM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573640491 947853200 /nfs/dbraw/zinc/85/32/00/947853200.db2.gz HPVJXDMRXVQSDT-ONGXEEELSA-N -1 1 380.434 -0.555 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573640567 947853192 /nfs/dbraw/zinc/85/31/92/947853192.db2.gz IGRKDTXIQOKTNM-GHMZBOCLSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573640567 947853186 /nfs/dbraw/zinc/85/31/86/947853186.db2.gz IGRKDTXIQOKTNM-GHMZBOCLSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573640573 947852613 /nfs/dbraw/zinc/85/26/13/947852613.db2.gz IGRKDTXIQOKTNM-MNOVXSKESA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573640573 947852607 /nfs/dbraw/zinc/85/26/07/947852607.db2.gz IGRKDTXIQOKTNM-MNOVXSKESA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573640576 947852641 /nfs/dbraw/zinc/85/26/41/947852641.db2.gz IGRKDTXIQOKTNM-QWRGUYRKSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573640576 947852632 /nfs/dbraw/zinc/85/26/32/947852632.db2.gz IGRKDTXIQOKTNM-QWRGUYRKSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573640580 947852230 /nfs/dbraw/zinc/85/22/30/947852230.db2.gz IGRKDTXIQOKTNM-WDEREUQCSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573640580 947852222 /nfs/dbraw/zinc/85/22/22/947852222.db2.gz IGRKDTXIQOKTNM-WDEREUQCSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573641844 947858279 /nfs/dbraw/zinc/85/82/79/947858279.db2.gz OCIKCMFZSKXELU-CHWSQXEVSA-N -1 1 383.416 -0.219 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573641845 947859795 /nfs/dbraw/zinc/85/97/95/947859795.db2.gz OCIKCMFZSKXELU-OLZOCXBDSA-N -1 1 383.416 -0.219 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573641846 947859101 /nfs/dbraw/zinc/85/91/01/947859101.db2.gz OCIKCMFZSKXELU-QWHCGFSZSA-N -1 1 383.416 -0.219 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573642154 947859946 /nfs/dbraw/zinc/85/99/46/947859946.db2.gz OCIKCMFZSKXELU-STQMWFEESA-N -1 1 383.416 -0.219 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573642189 947858580 /nfs/dbraw/zinc/85/85/80/947858580.db2.gz OLQWCCMNLJVWOH-NEPJUHHUSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573642189 947858574 /nfs/dbraw/zinc/85/85/74/947858574.db2.gz OLQWCCMNLJVWOH-NEPJUHHUSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573642192 947858406 /nfs/dbraw/zinc/85/84/06/947858406.db2.gz OLQWCCMNLJVWOH-NWDGAFQWSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573642192 947858400 /nfs/dbraw/zinc/85/84/00/947858400.db2.gz OLQWCCMNLJVWOH-NWDGAFQWSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573642195 947858614 /nfs/dbraw/zinc/85/86/14/947858614.db2.gz OLQWCCMNLJVWOH-RYUDHWBXSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573642195 947858608 /nfs/dbraw/zinc/85/86/08/947858608.db2.gz OLQWCCMNLJVWOH-RYUDHWBXSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573642197 947860044 /nfs/dbraw/zinc/86/00/44/947860044.db2.gz OLQWCCMNLJVWOH-VXGBXAGGSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573642197 947860033 /nfs/dbraw/zinc/86/00/33/947860033.db2.gz OLQWCCMNLJVWOH-VXGBXAGGSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573642406 947861256 /nfs/dbraw/zinc/86/12/56/947861256.db2.gz QLHXYJRRGUEUJE-NEPJUHHUSA-N -1 1 384.404 -0.824 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573642424 947861797 /nfs/dbraw/zinc/86/17/97/947861797.db2.gz QLHXYJRRGUEUJE-NWDGAFQWSA-N -1 1 384.404 -0.824 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573642428 947861527 /nfs/dbraw/zinc/86/15/27/947861527.db2.gz QLHXYJRRGUEUJE-RYUDHWBXSA-N -1 1 384.404 -0.824 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573642432 947862092 /nfs/dbraw/zinc/86/20/92/947862092.db2.gz QLHXYJRRGUEUJE-VXGBXAGGSA-N -1 1 384.404 -0.824 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573643130 947864870 /nfs/dbraw/zinc/86/48/70/947864870.db2.gz UQRAIDBRVQTOOY-GHMZBOCLSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573643130 947864863 /nfs/dbraw/zinc/86/48/63/947864863.db2.gz UQRAIDBRVQTOOY-GHMZBOCLSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573643132 947866043 /nfs/dbraw/zinc/86/60/43/947866043.db2.gz UQRAIDBRVQTOOY-MNOVXSKESA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573643132 947866033 /nfs/dbraw/zinc/86/60/33/947866033.db2.gz UQRAIDBRVQTOOY-MNOVXSKESA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573643134 947864695 /nfs/dbraw/zinc/86/46/95/947864695.db2.gz UQRAIDBRVQTOOY-QWRGUYRKSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573643134 947864683 /nfs/dbraw/zinc/86/46/83/947864683.db2.gz UQRAIDBRVQTOOY-QWRGUYRKSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573643503 947864761 /nfs/dbraw/zinc/86/47/61/947864761.db2.gz UQRAIDBRVQTOOY-WDEREUQCSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573643503 947864748 /nfs/dbraw/zinc/86/47/48/947864748.db2.gz UQRAIDBRVQTOOY-WDEREUQCSA-N -1 1 385.392 -0.851 20 0 GBADMM C[C@H](C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573644194 947869028 /nfs/dbraw/zinc/86/90/28/947869028.db2.gz ZIONSOWONJGUQO-CCJXJRJTSA-N -1 1 390.433 -0.915 20 0 GBADMM C[C@H](C(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573644196 947869697 /nfs/dbraw/zinc/86/96/97/947869697.db2.gz ZIONSOWONJGUQO-CXKQUHJHSA-N -1 1 390.433 -0.915 20 0 GBADMM C[C@H](C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573644198 947868739 /nfs/dbraw/zinc/86/87/39/947868739.db2.gz ZIONSOWONJGUQO-JDDYZGGESA-N -1 1 390.433 -0.915 20 0 GBADMM C[C@H](C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573644200 947869852 /nfs/dbraw/zinc/86/98/52/947869852.db2.gz ZIONSOWONJGUQO-MLYWIKPFSA-N -1 1 390.433 -0.915 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573644233 947870248 /nfs/dbraw/zinc/87/02/48/947870248.db2.gz ZSYCCXOMSHSRIN-NEPJUHHUSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573644233 947870239 /nfs/dbraw/zinc/87/02/39/947870239.db2.gz ZSYCCXOMSHSRIN-NEPJUHHUSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573644235 947869630 /nfs/dbraw/zinc/86/96/30/947869630.db2.gz ZSYCCXOMSHSRIN-NWDGAFQWSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573644235 947869625 /nfs/dbraw/zinc/86/96/25/947869625.db2.gz ZSYCCXOMSHSRIN-NWDGAFQWSA-N -1 1 384.404 -0.246 20 0 GBADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573644237 947868939 /nfs/dbraw/zinc/86/89/39/947868939.db2.gz ZSYCCXOMSHSRIN-RYUDHWBXSA-N 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C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)S(C)(=O)=O ZINC001573645899 947871668 /nfs/dbraw/zinc/87/16/68/947871668.db2.gz CECQCZIYRDOWNA-JFGNBEQYSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)S(C)(=O)=O ZINC001573645899 947871665 /nfs/dbraw/zinc/87/16/65/947871665.db2.gz CECQCZIYRDOWNA-JFGNBEQYSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573646222 947873361 /nfs/dbraw/zinc/87/33/61/947873361.db2.gz HXCUXLNMEDENHE-GRYCIOLGSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573646222 947873356 /nfs/dbraw/zinc/87/33/56/947873356.db2.gz HXCUXLNMEDENHE-GRYCIOLGSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573646223 947873505 /nfs/dbraw/zinc/87/35/05/947873505.db2.gz HXCUXLNMEDENHE-SDDRHHMPSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573646223 947873501 /nfs/dbraw/zinc/87/35/01/947873501.db2.gz HXCUXLNMEDENHE-SDDRHHMPSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cncn1 ZINC001573646486 947876831 /nfs/dbraw/zinc/87/68/31/947876831.db2.gz OSPVIAHQFFKELA-GMXVVIOVSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cncn1 ZINC001573646486 947876824 /nfs/dbraw/zinc/87/68/24/947876824.db2.gz OSPVIAHQFFKELA-GMXVVIOVSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cncn1 ZINC001573646488 947875547 /nfs/dbraw/zinc/87/55/47/947875547.db2.gz OSPVIAHQFFKELA-NTZNESFSSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cncn1 ZINC001573646488 947875539 /nfs/dbraw/zinc/87/55/39/947875539.db2.gz OSPVIAHQFFKELA-NTZNESFSSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1cncn1 ZINC001573646566 947877943 /nfs/dbraw/zinc/87/79/43/947877943.db2.gz QTIFPFGLZQNOBF-GMXVVIOVSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1cncn1 ZINC001573646566 947877933 /nfs/dbraw/zinc/87/79/33/947877933.db2.gz QTIFPFGLZQNOBF-GMXVVIOVSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1cncn1 ZINC001573646567 947878868 /nfs/dbraw/zinc/87/88/68/947878868.db2.gz QTIFPFGLZQNOBF-NTZNESFSSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1cncn1 ZINC001573646567 947878861 /nfs/dbraw/zinc/87/88/61/947878861.db2.gz QTIFPFGLZQNOBF-NTZNESFSSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573646744 947878100 /nfs/dbraw/zinc/87/81/00/947878100.db2.gz SGILSSNVCFQDCY-GARJFASQSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573646744 947878092 /nfs/dbraw/zinc/87/80/92/947878092.db2.gz SGILSSNVCFQDCY-GARJFASQSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573646745 947877624 /nfs/dbraw/zinc/87/76/24/947877624.db2.gz SGILSSNVCFQDCY-OUAUKWLOSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573646745 947877615 /nfs/dbraw/zinc/87/76/15/947877615.db2.gz SGILSSNVCFQDCY-OUAUKWLOSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cncn1 ZINC001573646760 947877700 /nfs/dbraw/zinc/87/77/00/947877700.db2.gz TVYNAULOUBBQAR-GMXVVIOVSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cncn1 ZINC001573646760 947877691 /nfs/dbraw/zinc/87/76/91/947877691.db2.gz TVYNAULOUBBQAR-GMXVVIOVSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cncn1 ZINC001573646761 947878191 /nfs/dbraw/zinc/87/81/91/947878191.db2.gz TVYNAULOUBBQAR-NTZNESFSSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cncn1 ZINC001573646761 947878182 /nfs/dbraw/zinc/87/81/82/947878182.db2.gz TVYNAULOUBBQAR-NTZNESFSSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)S(C)(=O)=O ZINC001573646807 947880583 /nfs/dbraw/zinc/88/05/83/947880583.db2.gz WEGGQFLTICVFRW-JBLDHEPKSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)S(C)(=O)=O ZINC001573646807 947880578 /nfs/dbraw/zinc/88/05/78/947880578.db2.gz WEGGQFLTICVFRW-JBLDHEPKSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)S(C)(=O)=O ZINC001573646808 947879680 /nfs/dbraw/zinc/87/96/80/947879680.db2.gz WEGGQFLTICVFRW-JFGNBEQYSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)S(C)(=O)=O ZINC001573646808 947879673 /nfs/dbraw/zinc/87/96/73/947879673.db2.gz WEGGQFLTICVFRW-JFGNBEQYSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cncn1 ZINC001573646811 947879342 /nfs/dbraw/zinc/87/93/42/947879342.db2.gz WNCJCTAKNPQEND-GRYCIOLGSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cncn1 ZINC001573646812 947879374 /nfs/dbraw/zinc/87/93/74/947879374.db2.gz WNCJCTAKNPQEND-SDDRHHMPSA-N -1 1 381.404 -0.454 20 0 GBADMM C[C@@H](C(=O)N1CCc2c(CC(N)=O)cccc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573647128 947884603 /nfs/dbraw/zinc/88/46/03/947884603.db2.gz CUOYNPKXDPPLCT-JTQLQIEISA-N -1 1 381.400 -0.368 20 0 GBADMM C[C@H](C(=O)N1CCc2c(CC(N)=O)cccc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573647129 947883969 /nfs/dbraw/zinc/88/39/69/947883969.db2.gz CUOYNPKXDPPLCT-SNVBAGLBSA-N -1 1 381.400 -0.368 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)n1cncn1 ZINC001573647143 947885277 /nfs/dbraw/zinc/88/52/77/947885277.db2.gz DBKCSLWSSNFYQC-GRYCIOLGSA-N -1 1 383.420 -0.562 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)n1cncn1 ZINC001573647144 947885463 /nfs/dbraw/zinc/88/54/63/947885463.db2.gz DBKCSLWSSNFYQC-IJLUTSLNSA-N -1 1 383.420 -0.562 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573647234 947886813 /nfs/dbraw/zinc/88/68/13/947886813.db2.gz FQZYGELQOFCRNV-KXUCPTDWSA-N -1 1 380.434 -0.651 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573647234 947886807 /nfs/dbraw/zinc/88/68/07/947886807.db2.gz FQZYGELQOFCRNV-KXUCPTDWSA-N -1 1 380.434 -0.651 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573647235 947886500 /nfs/dbraw/zinc/88/65/00/947886500.db2.gz FQZYGELQOFCRNV-OPRDCNLKSA-N -1 1 380.434 -0.651 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573647235 947886490 /nfs/dbraw/zinc/88/64/90/947886490.db2.gz FQZYGELQOFCRNV-OPRDCNLKSA-N -1 1 380.434 -0.651 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573647339 947892998 /nfs/dbraw/zinc/89/29/98/947892998.db2.gz IJPYAZWKSWBLTQ-FXPVBKGRSA-N -1 1 380.434 -0.651 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573647339 947892990 /nfs/dbraw/zinc/89/29/90/947892990.db2.gz IJPYAZWKSWBLTQ-FXPVBKGRSA-N -1 1 380.434 -0.651 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573647340 947891743 /nfs/dbraw/zinc/89/17/43/947891743.db2.gz IJPYAZWKSWBLTQ-WCABBAIRSA-N -1 1 380.434 -0.651 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573647340 947891735 /nfs/dbraw/zinc/89/17/35/947891735.db2.gz IJPYAZWKSWBLTQ-WCABBAIRSA-N -1 1 380.434 -0.651 20 0 GBADMM C[C@@H](C(=O)N1CCc2[nH]cnc2C12CCOCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573647480 947893845 /nfs/dbraw/zinc/89/38/45/947893845.db2.gz MICLKRZYTZZNKO-JTQLQIEISA-N -1 1 384.404 -0.167 20 0 GBADMM C[C@H](C(=O)N1CCc2[nH]cnc2C12CCOCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573647481 947893460 /nfs/dbraw/zinc/89/34/60/947893460.db2.gz MICLKRZYTZZNKO-SNVBAGLBSA-N -1 1 384.404 -0.167 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cncn1 ZINC001573647482 947893623 /nfs/dbraw/zinc/89/36/23/947893623.db2.gz MKHSXQXRQFRIQO-SDDRHHMPSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cncn1 ZINC001573647482 947893616 /nfs/dbraw/zinc/89/36/16/947893616.db2.gz MKHSXQXRQFRIQO-SDDRHHMPSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cncn1 ZINC001573647483 947895078 /nfs/dbraw/zinc/89/50/78/947895078.db2.gz MKHSXQXRQFRIQO-UTUOFQBUSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cncn1 ZINC001573647483 947895067 /nfs/dbraw/zinc/89/50/67/947895067.db2.gz MKHSXQXRQFRIQO-UTUOFQBUSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)n1cncn1 ZINC001573647570 947896816 /nfs/dbraw/zinc/89/68/16/947896816.db2.gz PDAXNXFFDVNCOZ-SDDRHHMPSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)n1cncn1 ZINC001573647570 947896795 /nfs/dbraw/zinc/89/67/95/947896795.db2.gz PDAXNXFFDVNCOZ-SDDRHHMPSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)n1cncn1 ZINC001573647571 947895939 /nfs/dbraw/zinc/89/59/39/947895939.db2.gz PDAXNXFFDVNCOZ-UTUOFQBUSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)n1cncn1 ZINC001573647571 947895930 /nfs/dbraw/zinc/89/59/30/947895930.db2.gz PDAXNXFFDVNCOZ-UTUOFQBUSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)S(C)(=O)=O ZINC001573647641 947899108 /nfs/dbraw/zinc/89/91/08/947899108.db2.gz RCLVJKGCGIHOSS-GMTAPVOTSA-N -1 1 394.461 -0.404 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)S(C)(=O)=O ZINC001573647641 947899097 /nfs/dbraw/zinc/89/90/97/947899097.db2.gz RCLVJKGCGIHOSS-GMTAPVOTSA-N -1 1 394.461 -0.404 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)S(C)(=O)=O ZINC001573647642 947898744 /nfs/dbraw/zinc/89/87/44/947898744.db2.gz RCLVJKGCGIHOSS-OUAUKWLOSA-N -1 1 394.461 -0.404 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)S(C)(=O)=O ZINC001573647642 947898738 /nfs/dbraw/zinc/89/87/38/947898738.db2.gz RCLVJKGCGIHOSS-OUAUKWLOSA-N -1 1 394.461 -0.404 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)N1C(=O)CCC1=O ZINC001573647757 947902535 /nfs/dbraw/zinc/90/25/35/947902535.db2.gz STNOBYFFORLGQV-CKYFFXLPSA-N -1 1 399.415 -0.547 20 0 GBADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)N1C(=O)CCC1=O ZINC001573647757 947902528 /nfs/dbraw/zinc/90/25/28/947902528.db2.gz STNOBYFFORLGQV-CKYFFXLPSA-N -1 1 399.415 -0.547 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)N1C(=O)CCC1=O ZINC001573647760 947902782 /nfs/dbraw/zinc/90/27/82/947902782.db2.gz STNOBYFFORLGQV-JFGNBEQYSA-N -1 1 399.415 -0.547 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)N1C(=O)CCC1=O ZINC001573647760 947902775 /nfs/dbraw/zinc/90/27/75/947902775.db2.gz STNOBYFFORLGQV-JFGNBEQYSA-N -1 1 399.415 -0.547 20 0 GBADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573650408 947910424 /nfs/dbraw/zinc/91/04/24/947910424.db2.gz BHSPYWIXRDTUEL-DRZSPHRISA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573650408 947910414 /nfs/dbraw/zinc/91/04/14/947910414.db2.gz BHSPYWIXRDTUEL-DRZSPHRISA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573650410 947911758 /nfs/dbraw/zinc/91/17/58/947911758.db2.gz BHSPYWIXRDTUEL-WXHSDQCUSA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573650410 947911756 /nfs/dbraw/zinc/91/17/56/947911756.db2.gz BHSPYWIXRDTUEL-WXHSDQCUSA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@@H](C(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573650428 947911591 /nfs/dbraw/zinc/91/15/91/947911591.db2.gz BRKLFULARIBKBA-KNXALSJPSA-N -1 1 376.421 -0.607 20 0 GBADMM C[C@H](C(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573650430 947911611 /nfs/dbraw/zinc/91/16/11/947911611.db2.gz BRKLFULARIBKBA-LYRGGWFBSA-N -1 1 376.421 -0.607 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)n1cncn1 ZINC001573651150 947917827 /nfs/dbraw/zinc/91/78/27/947917827.db2.gz IXTPDLXOVWGCTD-SDDRHHMPSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)n1cncn1 ZINC001573651150 947917821 /nfs/dbraw/zinc/91/78/21/947917821.db2.gz IXTPDLXOVWGCTD-SDDRHHMPSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)n1cncn1 ZINC001573651151 947917155 /nfs/dbraw/zinc/91/71/55/947917155.db2.gz IXTPDLXOVWGCTD-UTUOFQBUSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)n1cncn1 ZINC001573651151 947917149 /nfs/dbraw/zinc/91/71/49/947917149.db2.gz IXTPDLXOVWGCTD-UTUOFQBUSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651642 947921359 /nfs/dbraw/zinc/92/13/59/947921359.db2.gz NSBAOJRJOCZICT-FZQKWOKYSA-N -1 1 380.434 -0.698 20 0 GBADMM C[C@@H](C(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651643 947920928 /nfs/dbraw/zinc/92/09/28/947920928.db2.gz NSBAOJRJOCZICT-QCZZGDTMSA-N -1 1 380.434 -0.698 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)n1cnc(-c2nn[n-]n2)n1 ZINC001573651721 947923237 /nfs/dbraw/zinc/92/32/37/947923237.db2.gz PWRGTGWAMZKTKM-GRYCIOLGSA-N -1 1 381.400 -0.173 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)n1cnc(-c2nn[n-]n2)n1 ZINC001573651722 947923946 /nfs/dbraw/zinc/92/39/46/947923946.db2.gz PWRGTGWAMZKTKM-SDDRHHMPSA-N -1 1 381.400 -0.173 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573652214 947931253 /nfs/dbraw/zinc/93/12/53/947931253.db2.gz BKFBKQSDNZSGDU-GZMMTYOYSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573652214 947931247 /nfs/dbraw/zinc/93/12/47/947931247.db2.gz BKFBKQSDNZSGDU-GZMMTYOYSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573652215 947932060 /nfs/dbraw/zinc/93/20/60/947932060.db2.gz BKFBKQSDNZSGDU-KCJUWKMLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573652215 947932051 /nfs/dbraw/zinc/93/20/51/947932051.db2.gz BKFBKQSDNZSGDU-KCJUWKMLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573652216 947931068 /nfs/dbraw/zinc/93/10/68/947931068.db2.gz BKFBKQSDNZSGDU-KWQFWETISA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573652216 947931063 /nfs/dbraw/zinc/93/10/63/947931063.db2.gz BKFBKQSDNZSGDU-KWQFWETISA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573652217 947932335 /nfs/dbraw/zinc/93/23/35/947932335.db2.gz BKFBKQSDNZSGDU-LDYMZIIASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573652217 947932329 /nfs/dbraw/zinc/93/23/29/947932329.db2.gz BKFBKQSDNZSGDU-LDYMZIIASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573652261 947934053 /nfs/dbraw/zinc/93/40/53/947934053.db2.gz WPHCUDBWDNAZRG-DRZSPHRISA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573652261 947934047 /nfs/dbraw/zinc/93/40/47/947934047.db2.gz WPHCUDBWDNAZRG-DRZSPHRISA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573652264 947934299 /nfs/dbraw/zinc/93/42/99/947934299.db2.gz WPHCUDBWDNAZRG-WXHSDQCUSA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573652264 947934293 /nfs/dbraw/zinc/93/42/93/947934293.db2.gz WPHCUDBWDNAZRG-WXHSDQCUSA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573652368 947935222 /nfs/dbraw/zinc/93/52/22/947935222.db2.gz YHUXEBWJMFIEPH-DRZSPHRISA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573652368 947935218 /nfs/dbraw/zinc/93/52/18/947935218.db2.gz YHUXEBWJMFIEPH-DRZSPHRISA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573652369 947935676 /nfs/dbraw/zinc/93/56/76/947935676.db2.gz YHUXEBWJMFIEPH-WXHSDQCUSA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573652369 947935667 /nfs/dbraw/zinc/93/56/67/947935667.db2.gz YHUXEBWJMFIEPH-WXHSDQCUSA-N -1 1 380.416 -0.017 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)n1cncn1 ZINC001573652424 947937389 /nfs/dbraw/zinc/93/73/89/947937389.db2.gz ZKIZPVVHGWMRLG-SDDRHHMPSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)n1cncn1 ZINC001573652424 947937384 /nfs/dbraw/zinc/93/73/84/947937384.db2.gz ZKIZPVVHGWMRLG-SDDRHHMPSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)n1cncn1 ZINC001573652425 947938613 /nfs/dbraw/zinc/93/86/13/947938613.db2.gz ZKIZPVVHGWMRLG-UTUOFQBUSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)n1cncn1 ZINC001573652425 947938600 /nfs/dbraw/zinc/93/86/00/947938600.db2.gz ZKIZPVVHGWMRLG-UTUOFQBUSA-N -1 1 381.404 -0.596 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)n1cncn1 ZINC001573652704 947946322 /nfs/dbraw/zinc/94/63/22/947946322.db2.gz GRMUYUDOEDOJAJ-GHMZBOCLSA-N -1 1 385.436 -0.126 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)n1cncn1 ZINC001573652705 947946301 /nfs/dbraw/zinc/94/63/01/947946301.db2.gz GRMUYUDOEDOJAJ-MNOVXSKESA-N -1 1 385.436 -0.126 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)n1cncn1 ZINC001573652706 947945726 /nfs/dbraw/zinc/94/57/26/947945726.db2.gz GRMUYUDOEDOJAJ-QWRGUYRKSA-N -1 1 385.436 -0.126 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)n1cncn1 ZINC001573652707 947946723 /nfs/dbraw/zinc/94/67/23/947946723.db2.gz GRMUYUDOEDOJAJ-WDEREUQCSA-N -1 1 385.436 -0.126 20 0 GBADMM C[C@H](C(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573653138 947951899 /nfs/dbraw/zinc/95/18/99/947951899.db2.gz JJYSEOOUHKZCIW-GRYCIOLGSA-N -1 1 376.421 -0.154 20 0 GBADMM C[C@H](C(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573653139 947954052 /nfs/dbraw/zinc/95/40/52/947954052.db2.gz JJYSEOOUHKZCIW-IJLUTSLNSA-N -1 1 376.421 -0.154 20 0 GBADMM C[C@H](C(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573653140 947953012 /nfs/dbraw/zinc/95/30/12/947953012.db2.gz JJYSEOOUHKZCIW-UTUOFQBUSA-N -1 1 376.421 -0.154 20 0 GBADMM C[C@H](C(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573653141 947953511 /nfs/dbraw/zinc/95/35/11/947953511.db2.gz JJYSEOOUHKZCIW-WOPDTQHZSA-N -1 1 376.421 -0.154 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573653390 947955494 /nfs/dbraw/zinc/95/54/94/947955494.db2.gz LHGLAXJNCCQMCK-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573653390 947955489 /nfs/dbraw/zinc/95/54/89/947955489.db2.gz LHGLAXJNCCQMCK-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573653391 947955842 /nfs/dbraw/zinc/95/58/42/947955842.db2.gz LHGLAXJNCCQMCK-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573653391 947955836 /nfs/dbraw/zinc/95/58/36/947955836.db2.gz LHGLAXJNCCQMCK-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573653392 947956381 /nfs/dbraw/zinc/95/63/81/947956381.db2.gz LHGLAXJNCCQMCK-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573653392 947956368 /nfs/dbraw/zinc/95/63/68/947956368.db2.gz LHGLAXJNCCQMCK-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573653394 947955798 /nfs/dbraw/zinc/95/57/98/947955798.db2.gz LHGLAXJNCCQMCK-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573653394 947955793 /nfs/dbraw/zinc/95/57/93/947955793.db2.gz LHGLAXJNCCQMCK-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573654278 947964837 /nfs/dbraw/zinc/96/48/37/947964837.db2.gz QLSUQCYRFAWDNC-HWPZZCPQSA-N -1 1 383.420 -0.372 20 0 GBADMM C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573654279 947965552 /nfs/dbraw/zinc/96/55/52/947965552.db2.gz QLSUQCYRFAWDNC-MGPLVRAMSA-N -1 1 383.420 -0.372 20 0 GBADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573654280 947965506 /nfs/dbraw/zinc/96/55/06/947965506.db2.gz QLSUQCYRFAWDNC-QFYYESIMSA-N -1 1 383.420 -0.372 20 0 GBADMM C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573654281 947966656 /nfs/dbraw/zinc/96/66/56/947966656.db2.gz QLSUQCYRFAWDNC-QLJPJBMISA-N -1 1 383.420 -0.372 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573654290 947966342 /nfs/dbraw/zinc/96/63/42/947966342.db2.gz QPYINEQYOXYLSL-GWCFXTLKSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573654291 947964979 /nfs/dbraw/zinc/96/49/79/947964979.db2.gz QPYINEQYOXYLSL-GXFFZTMASA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573654292 947966692 /nfs/dbraw/zinc/96/66/92/947966692.db2.gz QPYINEQYOXYLSL-MFKMUULPSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573654293 947965486 /nfs/dbraw/zinc/96/54/86/947965486.db2.gz QPYINEQYOXYLSL-ZWNOBZJWSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573654687 947970746 /nfs/dbraw/zinc/97/07/46/947970746.db2.gz SSZKBRKRKBTBKM-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573654687 947970738 /nfs/dbraw/zinc/97/07/38/947970738.db2.gz SSZKBRKRKBTBKM-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573654688 947971116 /nfs/dbraw/zinc/97/11/16/947971116.db2.gz SSZKBRKRKBTBKM-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573654688 947971108 /nfs/dbraw/zinc/97/11/08/947971108.db2.gz SSZKBRKRKBTBKM-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573654689 947969572 /nfs/dbraw/zinc/96/95/72/947969572.db2.gz SSZKBRKRKBTBKM-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573654689 947969565 /nfs/dbraw/zinc/96/95/65/947969565.db2.gz SSZKBRKRKBTBKM-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573654690 947970636 /nfs/dbraw/zinc/97/06/36/947970636.db2.gz SSZKBRKRKBTBKM-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573654690 947970632 /nfs/dbraw/zinc/97/06/32/947970632.db2.gz SSZKBRKRKBTBKM-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573654885 947972262 /nfs/dbraw/zinc/97/22/62/947972262.db2.gz UQVVDAKGHPFJSU-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573654885 947972257 /nfs/dbraw/zinc/97/22/57/947972257.db2.gz UQVVDAKGHPFJSU-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573654886 947972791 /nfs/dbraw/zinc/97/27/91/947972791.db2.gz UQVVDAKGHPFJSU-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573654886 947972781 /nfs/dbraw/zinc/97/27/81/947972781.db2.gz UQVVDAKGHPFJSU-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573654887 947972058 /nfs/dbraw/zinc/97/20/58/947972058.db2.gz UQVVDAKGHPFJSU-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573654887 947972051 /nfs/dbraw/zinc/97/20/51/947972051.db2.gz UQVVDAKGHPFJSU-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573654888 947973375 /nfs/dbraw/zinc/97/33/75/947973375.db2.gz UQVVDAKGHPFJSU-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573654888 947973368 /nfs/dbraw/zinc/97/33/68/947973368.db2.gz UQVVDAKGHPFJSU-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573656177 947986101 /nfs/dbraw/zinc/98/61/01/947986101.db2.gz CWEPPMLNAGOCBO-LLVKDONJSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573656178 947986150 /nfs/dbraw/zinc/98/61/50/947986150.db2.gz CWEPPMLNAGOCBO-NSHDSACASA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573656491 947989632 /nfs/dbraw/zinc/98/96/32/947989632.db2.gz HCOIHCRZWISXDB-LKFCYVNXSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573656491 947989625 /nfs/dbraw/zinc/98/96/25/947989625.db2.gz HCOIHCRZWISXDB-LKFCYVNXSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573656496 947990517 /nfs/dbraw/zinc/99/05/17/947990517.db2.gz HCOIHCRZWISXDB-OTYXRUKQSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573656496 947990512 /nfs/dbraw/zinc/99/05/12/947990512.db2.gz HCOIHCRZWISXDB-OTYXRUKQSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573656498 947990346 /nfs/dbraw/zinc/99/03/46/947990346.db2.gz HCOIHCRZWISXDB-XPTSAGLGSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573656498 947990341 /nfs/dbraw/zinc/99/03/41/947990341.db2.gz HCOIHCRZWISXDB-XPTSAGLGSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573656501 947990313 /nfs/dbraw/zinc/99/03/13/947990313.db2.gz HCOIHCRZWISXDB-YMTOWFKASA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573656501 947990306 /nfs/dbraw/zinc/99/03/06/947990306.db2.gz HCOIHCRZWISXDB-YMTOWFKASA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573656564 947992116 /nfs/dbraw/zinc/99/21/16/947992116.db2.gz HPMSTBCSCJSCJA-LKFCYVNXSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573656566 947993106 /nfs/dbraw/zinc/99/31/06/947993106.db2.gz HPMSTBCSCJSCJA-OTYXRUKQSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573656569 947992458 /nfs/dbraw/zinc/99/24/58/947992458.db2.gz HPMSTBCSCJSCJA-XPTSAGLGSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573656572 947993087 /nfs/dbraw/zinc/99/30/87/947993087.db2.gz HPMSTBCSCJSCJA-YMTOWFKASA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573656576 947992295 /nfs/dbraw/zinc/99/22/95/947992295.db2.gz HRQZXOJMYPAIPD-LLVKDONJSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573656576 947992285 /nfs/dbraw/zinc/99/22/85/947992285.db2.gz HRQZXOJMYPAIPD-LLVKDONJSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573656579 947991863 /nfs/dbraw/zinc/99/18/63/947991863.db2.gz HRQZXOJMYPAIPD-NSHDSACASA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573656579 947991853 /nfs/dbraw/zinc/99/18/53/947991853.db2.gz HRQZXOJMYPAIPD-NSHDSACASA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573656611 947992171 /nfs/dbraw/zinc/99/21/71/947992171.db2.gz HWGVXXHFLLJVEU-LLVKDONJSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573656611 947992165 /nfs/dbraw/zinc/99/21/65/947992165.db2.gz HWGVXXHFLLJVEU-LLVKDONJSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573656613 947993130 /nfs/dbraw/zinc/99/31/30/947993130.db2.gz HWGVXXHFLLJVEU-NSHDSACASA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573656613 947993123 /nfs/dbraw/zinc/99/31/23/947993123.db2.gz HWGVXXHFLLJVEU-NSHDSACASA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573656655 947991754 /nfs/dbraw/zinc/99/17/54/947991754.db2.gz HYFAKZUVSINKKP-LKFCYVNXSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573656655 947991751 /nfs/dbraw/zinc/99/17/51/947991751.db2.gz HYFAKZUVSINKKP-LKFCYVNXSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573656657 947993400 /nfs/dbraw/zinc/99/34/00/947993400.db2.gz HYFAKZUVSINKKP-OTYXRUKQSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573656657 947993393 /nfs/dbraw/zinc/99/33/93/947993393.db2.gz HYFAKZUVSINKKP-OTYXRUKQSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573656660 947992689 /nfs/dbraw/zinc/99/26/89/947992689.db2.gz HYFAKZUVSINKKP-XPTSAGLGSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573656660 947992684 /nfs/dbraw/zinc/99/26/84/947992684.db2.gz HYFAKZUVSINKKP-XPTSAGLGSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573656662 947991716 /nfs/dbraw/zinc/99/17/16/947991716.db2.gz HYFAKZUVSINKKP-YMTOWFKASA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573656662 947991709 /nfs/dbraw/zinc/99/17/09/947991709.db2.gz HYFAKZUVSINKKP-YMTOWFKASA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cncn1 ZINC001573656858 947994406 /nfs/dbraw/zinc/99/44/06/947994406.db2.gz IUVSCXSMILDAFX-LLVKDONJSA-N -1 1 383.420 -0.228 20 0 GBADMM C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cncn1 ZINC001573656859 947994345 /nfs/dbraw/zinc/99/43/45/947994345.db2.gz IUVSCXSMILDAFX-NSHDSACASA-N -1 1 383.420 -0.228 20 0 GBADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573657308 947998557 /nfs/dbraw/zinc/99/85/57/947998557.db2.gz LOBLENNLEGSHIC-LLVKDONJSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cncn1 ZINC001573657308 947998553 /nfs/dbraw/zinc/99/85/53/947998553.db2.gz LOBLENNLEGSHIC-LLVKDONJSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573657309 947998708 /nfs/dbraw/zinc/99/87/08/947998708.db2.gz LOBLENNLEGSHIC-NSHDSACASA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cncn1 ZINC001573657309 947998703 /nfs/dbraw/zinc/99/87/03/947998703.db2.gz LOBLENNLEGSHIC-NSHDSACASA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573657570 948000085 /nfs/dbraw/zinc/00/00/85/948000085.db2.gz NPQVYWWCMYUZCD-LKFCYVNXSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573657570 948000079 /nfs/dbraw/zinc/00/00/79/948000079.db2.gz NPQVYWWCMYUZCD-LKFCYVNXSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573657575 948001658 /nfs/dbraw/zinc/00/16/58/948001658.db2.gz NPQVYWWCMYUZCD-OTYXRUKQSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573657575 948001647 /nfs/dbraw/zinc/00/16/47/948001647.db2.gz NPQVYWWCMYUZCD-OTYXRUKQSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573657580 948001172 /nfs/dbraw/zinc/00/11/72/948001172.db2.gz NPQVYWWCMYUZCD-XPTSAGLGSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573657580 948001168 /nfs/dbraw/zinc/00/11/68/948001168.db2.gz NPQVYWWCMYUZCD-XPTSAGLGSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573657584 948001143 /nfs/dbraw/zinc/00/11/43/948001143.db2.gz NPQVYWWCMYUZCD-YMTOWFKASA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573657584 948001137 /nfs/dbraw/zinc/00/11/37/948001137.db2.gz NPQVYWWCMYUZCD-YMTOWFKASA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573662428 948028216 /nfs/dbraw/zinc/02/82/16/948028216.db2.gz DVKDYWAUSARJRJ-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573662428 948028207 /nfs/dbraw/zinc/02/82/07/948028207.db2.gz DVKDYWAUSARJRJ-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573662429 948027540 /nfs/dbraw/zinc/02/75/40/948027540.db2.gz DVKDYWAUSARJRJ-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573662429 948027529 /nfs/dbraw/zinc/02/75/29/948027529.db2.gz DVKDYWAUSARJRJ-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573663499 948036693 /nfs/dbraw/zinc/03/66/93/948036693.db2.gz MZKQFRFJQRGMTB-XSRFYTQQSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@H](C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573663500 948036824 /nfs/dbraw/zinc/03/68/24/948036824.db2.gz MZKQFRFJQRGMTB-ZBOXLXRLSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573663863 948045170 /nfs/dbraw/zinc/04/51/70/948045170.db2.gz AZYGAMVNMGMNQG-UNXYVOJBSA-N -1 1 383.420 -0.229 20 0 GBADMM C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573663868 948044181 /nfs/dbraw/zinc/04/41/81/948044181.db2.gz AZYGAMVNMGMNQG-VOMCLLRMSA-N -1 1 383.420 -0.229 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573664452 948054624 /nfs/dbraw/zinc/05/46/24/948054624.db2.gz DNJDGXGDJNHLRF-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573664452 948054618 /nfs/dbraw/zinc/05/46/18/948054618.db2.gz DNJDGXGDJNHLRF-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573664456 948055248 /nfs/dbraw/zinc/05/52/48/948055248.db2.gz DNJDGXGDJNHLRF-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573664456 948055239 /nfs/dbraw/zinc/05/52/39/948055239.db2.gz DNJDGXGDJNHLRF-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573664459 948054534 /nfs/dbraw/zinc/05/45/34/948054534.db2.gz DNJDGXGDJNHLRF-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573664459 948054527 /nfs/dbraw/zinc/05/45/27/948054527.db2.gz DNJDGXGDJNHLRF-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573664462 948055566 /nfs/dbraw/zinc/05/55/66/948055566.db2.gz DNJDGXGDJNHLRF-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573664462 948055557 /nfs/dbraw/zinc/05/55/57/948055557.db2.gz DNJDGXGDJNHLRF-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573664571 948057963 /nfs/dbraw/zinc/05/79/63/948057963.db2.gz VHXFEVDMCPFPBN-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573664571 948057957 /nfs/dbraw/zinc/05/79/57/948057957.db2.gz VHXFEVDMCPFPBN-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573664573 948057213 /nfs/dbraw/zinc/05/72/13/948057213.db2.gz VHXFEVDMCPFPBN-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573664573 948057207 /nfs/dbraw/zinc/05/72/07/948057207.db2.gz VHXFEVDMCPFPBN-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573664622 948058039 /nfs/dbraw/zinc/05/80/39/948058039.db2.gz VWKHOOIIHMCPSO-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573664622 948058031 /nfs/dbraw/zinc/05/80/31/948058031.db2.gz VWKHOOIIHMCPSO-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573664624 948058679 /nfs/dbraw/zinc/05/86/79/948058679.db2.gz VWKHOOIIHMCPSO-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573664624 948058669 /nfs/dbraw/zinc/05/86/69/948058669.db2.gz VWKHOOIIHMCPSO-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573665068 948067866 /nfs/dbraw/zinc/06/78/66/948067866.db2.gz IFISESZIMRTFAT-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573665068 948067861 /nfs/dbraw/zinc/06/78/61/948067861.db2.gz IFISESZIMRTFAT-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573665069 948066832 /nfs/dbraw/zinc/06/68/32/948066832.db2.gz IFISESZIMRTFAT-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573665069 948066824 /nfs/dbraw/zinc/06/68/24/948066824.db2.gz IFISESZIMRTFAT-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573665070 948067640 /nfs/dbraw/zinc/06/76/40/948067640.db2.gz IFISESZIMRTFAT-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573665070 948067629 /nfs/dbraw/zinc/06/76/29/948067629.db2.gz IFISESZIMRTFAT-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573665071 948067250 /nfs/dbraw/zinc/06/72/50/948067250.db2.gz IFISESZIMRTFAT-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573665071 948067238 /nfs/dbraw/zinc/06/72/38/948067238.db2.gz IFISESZIMRTFAT-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573665076 948067960 /nfs/dbraw/zinc/06/79/60/948067960.db2.gz IKTMAOOPKDCRQP-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573665076 948067953 /nfs/dbraw/zinc/06/79/53/948067953.db2.gz IKTMAOOPKDCRQP-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573665077 948066521 /nfs/dbraw/zinc/06/65/21/948066521.db2.gz IKTMAOOPKDCRQP-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573665077 948066515 /nfs/dbraw/zinc/06/65/15/948066515.db2.gz IKTMAOOPKDCRQP-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573665078 948068511 /nfs/dbraw/zinc/06/85/11/948068511.db2.gz IKTMAOOPKDCRQP-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573665078 948068501 /nfs/dbraw/zinc/06/85/01/948068501.db2.gz IKTMAOOPKDCRQP-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573665079 948068454 /nfs/dbraw/zinc/06/84/54/948068454.db2.gz IKTMAOOPKDCRQP-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573665079 948068443 /nfs/dbraw/zinc/06/84/43/948068443.db2.gz IKTMAOOPKDCRQP-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573666018 948079374 /nfs/dbraw/zinc/07/93/74/948079374.db2.gz OVPRRCSRMIOLRS-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573666019 948080535 /nfs/dbraw/zinc/08/05/35/948080535.db2.gz OVPRRCSRMIOLRS-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573666020 948078694 /nfs/dbraw/zinc/07/86/94/948078694.db2.gz OVPRRCSRMIOLRS-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573666021 948079346 /nfs/dbraw/zinc/07/93/46/948079346.db2.gz OVPRRCSRMIOLRS-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573666022 948080172 /nfs/dbraw/zinc/08/01/72/948080172.db2.gz OWAKTCDNUSBFNT-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573666023 948079138 /nfs/dbraw/zinc/07/91/38/948079138.db2.gz OWAKTCDNUSBFNT-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573666024 948079765 /nfs/dbraw/zinc/07/97/65/948079765.db2.gz OWAKTCDNUSBFNT-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573666025 948079048 /nfs/dbraw/zinc/07/90/48/948079048.db2.gz OWAKTCDNUSBFNT-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573666374 948083859 /nfs/dbraw/zinc/08/38/59/948083859.db2.gz RWNKYHMCJZQWRX-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573666374 948083850 /nfs/dbraw/zinc/08/38/50/948083850.db2.gz RWNKYHMCJZQWRX-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573666375 948084875 /nfs/dbraw/zinc/08/48/75/948084875.db2.gz RWNKYHMCJZQWRX-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573666375 948084868 /nfs/dbraw/zinc/08/48/68/948084868.db2.gz RWNKYHMCJZQWRX-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573666376 948085630 /nfs/dbraw/zinc/08/56/30/948085630.db2.gz RWNKYHMCJZQWRX-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573666376 948085625 /nfs/dbraw/zinc/08/56/25/948085625.db2.gz RWNKYHMCJZQWRX-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573666377 948083829 /nfs/dbraw/zinc/08/38/29/948083829.db2.gz RWNKYHMCJZQWRX-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573666377 948083817 /nfs/dbraw/zinc/08/38/17/948083817.db2.gz RWNKYHMCJZQWRX-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573666814 948092579 /nfs/dbraw/zinc/09/25/79/948092579.db2.gz WKEGSQIFMAMYCN-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573666814 948092573 /nfs/dbraw/zinc/09/25/73/948092573.db2.gz WKEGSQIFMAMYCN-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573666815 948091673 /nfs/dbraw/zinc/09/16/73/948091673.db2.gz WKEGSQIFMAMYCN-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573666815 948091665 /nfs/dbraw/zinc/09/16/65/948091665.db2.gz WKEGSQIFMAMYCN-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573666816 948091725 /nfs/dbraw/zinc/09/17/25/948091725.db2.gz WKEGSQIFMAMYCN-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573666816 948091718 /nfs/dbraw/zinc/09/17/18/948091718.db2.gz WKEGSQIFMAMYCN-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573666817 948092805 /nfs/dbraw/zinc/09/28/05/948092805.db2.gz WKEGSQIFMAMYCN-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573666817 948092797 /nfs/dbraw/zinc/09/27/97/948092797.db2.gz WKEGSQIFMAMYCN-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573667398 948098866 /nfs/dbraw/zinc/09/88/66/948098866.db2.gz ZHQGQJLUEJIFCM-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573667398 948098860 /nfs/dbraw/zinc/09/88/60/948098860.db2.gz ZHQGQJLUEJIFCM-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573667404 948098688 /nfs/dbraw/zinc/09/86/88/948098688.db2.gz ZHQGQJLUEJIFCM-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573667404 948098681 /nfs/dbraw/zinc/09/86/81/948098681.db2.gz ZHQGQJLUEJIFCM-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573667406 948099479 /nfs/dbraw/zinc/09/94/79/948099479.db2.gz ZHQGQJLUEJIFCM-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573667406 948099473 /nfs/dbraw/zinc/09/94/73/948099473.db2.gz ZHQGQJLUEJIFCM-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573667408 948098947 /nfs/dbraw/zinc/09/89/47/948098947.db2.gz ZHQGQJLUEJIFCM-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573667408 948098942 /nfs/dbraw/zinc/09/89/42/948098942.db2.gz ZHQGQJLUEJIFCM-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001573671319 948106068 /nfs/dbraw/zinc/10/60/68/948106068.db2.gz DLRWNBVPQIMFJE-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001573671319 948106065 /nfs/dbraw/zinc/10/60/65/948106065.db2.gz DLRWNBVPQIMFJE-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573671320 948106218 /nfs/dbraw/zinc/10/62/18/948106218.db2.gz DLRWNBVPQIMFJE-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573671320 948106214 /nfs/dbraw/zinc/10/62/14/948106214.db2.gz DLRWNBVPQIMFJE-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573671321 948105641 /nfs/dbraw/zinc/10/56/41/948105641.db2.gz DLRWNBVPQIMFJE-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573671321 948105635 /nfs/dbraw/zinc/10/56/35/948105635.db2.gz DLRWNBVPQIMFJE-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001573671322 948106552 /nfs/dbraw/zinc/10/65/52/948106552.db2.gz DLRWNBVPQIMFJE-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001573671322 948106548 /nfs/dbraw/zinc/10/65/48/948106548.db2.gz DLRWNBVPQIMFJE-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573671420 948108339 /nfs/dbraw/zinc/10/83/39/948108339.db2.gz GGHYZWOJUZLEFD-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)S(C)(=O)=O ZINC001573671420 948108333 /nfs/dbraw/zinc/10/83/33/948108333.db2.gz GGHYZWOJUZLEFD-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573671421 948107362 /nfs/dbraw/zinc/10/73/62/948107362.db2.gz GGHYZWOJUZLEFD-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)S(C)(=O)=O ZINC001573671421 948107357 /nfs/dbraw/zinc/10/73/57/948107357.db2.gz GGHYZWOJUZLEFD-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573672806 948112066 /nfs/dbraw/zinc/11/20/66/948112066.db2.gz JKTNGADOFXNJQU-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573672806 948112062 /nfs/dbraw/zinc/11/20/62/948112062.db2.gz JKTNGADOFXNJQU-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573672808 948110775 /nfs/dbraw/zinc/11/07/75/948110775.db2.gz JKTNGADOFXNJQU-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573672808 948110768 /nfs/dbraw/zinc/11/07/68/948110768.db2.gz JKTNGADOFXNJQU-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573672810 948111817 /nfs/dbraw/zinc/11/18/17/948111817.db2.gz JKTNGADOFXNJQU-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573672810 948111813 /nfs/dbraw/zinc/11/18/13/948111813.db2.gz JKTNGADOFXNJQU-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573672812 948111753 /nfs/dbraw/zinc/11/17/53/948111753.db2.gz JKTNGADOFXNJQU-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573672812 948111747 /nfs/dbraw/zinc/11/17/47/948111747.db2.gz JKTNGADOFXNJQU-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573673854 948114688 /nfs/dbraw/zinc/11/46/88/948114688.db2.gz LRJTVRGVUIHWQL-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573673856 948114775 /nfs/dbraw/zinc/11/47/75/948114775.db2.gz LRJTVRGVUIHWQL-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573673858 948115116 /nfs/dbraw/zinc/11/51/16/948115116.db2.gz LRJTVRGVUIHWQL-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001573673860 948114830 /nfs/dbraw/zinc/11/48/30/948114830.db2.gz LRJTVRGVUIHWQL-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573675808 948121379 /nfs/dbraw/zinc/12/13/79/948121379.db2.gz QAZCJBXVNCDVDY-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573675808 948121376 /nfs/dbraw/zinc/12/13/76/948121376.db2.gz QAZCJBXVNCDVDY-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573675811 948123823 /nfs/dbraw/zinc/12/38/23/948123823.db2.gz QAZCJBXVNCDVDY-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573675811 948123820 /nfs/dbraw/zinc/12/38/20/948123820.db2.gz QAZCJBXVNCDVDY-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573675813 948123743 /nfs/dbraw/zinc/12/37/43/948123743.db2.gz QAZCJBXVNCDVDY-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573675813 948123739 /nfs/dbraw/zinc/12/37/39/948123739.db2.gz QAZCJBXVNCDVDY-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573675814 948123212 /nfs/dbraw/zinc/12/32/12/948123212.db2.gz QAZCJBXVNCDVDY-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573675814 948123208 /nfs/dbraw/zinc/12/32/08/948123208.db2.gz QAZCJBXVNCDVDY-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573675889 948123043 /nfs/dbraw/zinc/12/30/43/948123043.db2.gz RJOMPRCCTPYBRC-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573675890 948122439 /nfs/dbraw/zinc/12/24/39/948122439.db2.gz RJOMPRCCTPYBRC-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC001573676740 948129014 /nfs/dbraw/zinc/12/90/14/948129014.db2.gz VAOYYFGGVBRSFM-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC001573676740 948129009 /nfs/dbraw/zinc/12/90/09/948129009.db2.gz VAOYYFGGVBRSFM-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC001573676742 948128493 /nfs/dbraw/zinc/12/84/93/948128493.db2.gz VAOYYFGGVBRSFM-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC001573676742 948128488 /nfs/dbraw/zinc/12/84/88/948128488.db2.gz VAOYYFGGVBRSFM-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573676744 948128313 /nfs/dbraw/zinc/12/83/13/948128313.db2.gz VASXSDZWTBPKER-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573676744 948128309 /nfs/dbraw/zinc/12/83/09/948128309.db2.gz VASXSDZWTBPKER-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573676747 948128855 /nfs/dbraw/zinc/12/88/55/948128855.db2.gz VASXSDZWTBPKER-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573676747 948128849 /nfs/dbraw/zinc/12/88/49/948128849.db2.gz VASXSDZWTBPKER-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cncn1 ZINC001573676940 948130186 /nfs/dbraw/zinc/13/01/86/948130186.db2.gz BLZLRROIVWKQGR-GHMZBOCLSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cncn1 ZINC001573676943 948130616 /nfs/dbraw/zinc/13/06/16/948130616.db2.gz BLZLRROIVWKQGR-MNOVXSKESA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cncn1 ZINC001573676945 948131231 /nfs/dbraw/zinc/13/12/31/948131231.db2.gz BLZLRROIVWKQGR-QWRGUYRKSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cncn1 ZINC001573676948 948130634 /nfs/dbraw/zinc/13/06/34/948130634.db2.gz BLZLRROIVWKQGR-WDEREUQCSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cncn1 ZINC001573677789 948141391 /nfs/dbraw/zinc/14/13/91/948141391.db2.gz FDZQEBIRSARPBB-CMPLNLGQSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cncn1 ZINC001573677789 948141383 /nfs/dbraw/zinc/14/13/83/948141383.db2.gz FDZQEBIRSARPBB-CMPLNLGQSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cncn1 ZINC001573677791 948141772 /nfs/dbraw/zinc/14/17/72/948141772.db2.gz FDZQEBIRSARPBB-JQWIXIFHSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cncn1 ZINC001573677791 948141764 /nfs/dbraw/zinc/14/17/64/948141764.db2.gz FDZQEBIRSARPBB-JQWIXIFHSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cncn1 ZINC001573677793 948142474 /nfs/dbraw/zinc/14/24/74/948142474.db2.gz FDZQEBIRSARPBB-PWSUYJOCSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cncn1 ZINC001573677793 948142466 /nfs/dbraw/zinc/14/24/66/948142466.db2.gz FDZQEBIRSARPBB-PWSUYJOCSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cncn1 ZINC001573677795 948142308 /nfs/dbraw/zinc/14/23/08/948142308.db2.gz FDZQEBIRSARPBB-ZYHUDNBSSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cncn1 ZINC001573677795 948142302 /nfs/dbraw/zinc/14/23/02/948142302.db2.gz FDZQEBIRSARPBB-ZYHUDNBSSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573677923 948143314 /nfs/dbraw/zinc/14/33/14/948143314.db2.gz ZDTHZWCDEBKXCQ-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573677923 948143311 /nfs/dbraw/zinc/14/33/11/948143311.db2.gz ZDTHZWCDEBKXCQ-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573677926 948143200 /nfs/dbraw/zinc/14/32/00/948143200.db2.gz ZDTHZWCDEBKXCQ-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573677926 948143198 /nfs/dbraw/zinc/14/31/98/948143198.db2.gz ZDTHZWCDEBKXCQ-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573678959 948156315 /nfs/dbraw/zinc/15/63/15/948156315.db2.gz GVBCKACLZAOCIZ-GZMMTYOYSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573678959 948156306 /nfs/dbraw/zinc/15/63/06/948156306.db2.gz GVBCKACLZAOCIZ-GZMMTYOYSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573678960 948156676 /nfs/dbraw/zinc/15/66/76/948156676.db2.gz GVBCKACLZAOCIZ-KCJUWKMLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573678960 948156669 /nfs/dbraw/zinc/15/66/69/948156669.db2.gz GVBCKACLZAOCIZ-KCJUWKMLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573678961 948157301 /nfs/dbraw/zinc/15/73/01/948157301.db2.gz GVBCKACLZAOCIZ-KWQFWETISA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573678961 948157294 /nfs/dbraw/zinc/15/72/94/948157294.db2.gz GVBCKACLZAOCIZ-KWQFWETISA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573678962 948157474 /nfs/dbraw/zinc/15/74/74/948157474.db2.gz GVBCKACLZAOCIZ-LDYMZIIASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573678962 948157469 /nfs/dbraw/zinc/15/74/69/948157469.db2.gz GVBCKACLZAOCIZ-LDYMZIIASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573678973 948156292 /nfs/dbraw/zinc/15/62/92/948156292.db2.gz HBLUORPJHCQPTL-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573678973 948156285 /nfs/dbraw/zinc/15/62/85/948156285.db2.gz HBLUORPJHCQPTL-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573678974 948155983 /nfs/dbraw/zinc/15/59/83/948155983.db2.gz HBLUORPJHCQPTL-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573678974 948155980 /nfs/dbraw/zinc/15/59/80/948155980.db2.gz HBLUORPJHCQPTL-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573678975 948156244 /nfs/dbraw/zinc/15/62/44/948156244.db2.gz HBLUORPJHCQPTL-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573678975 948156239 /nfs/dbraw/zinc/15/62/39/948156239.db2.gz HBLUORPJHCQPTL-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573678976 948156839 /nfs/dbraw/zinc/15/68/39/948156839.db2.gz HBLUORPJHCQPTL-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573678976 948156834 /nfs/dbraw/zinc/15/68/34/948156834.db2.gz HBLUORPJHCQPTL-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCC(C)(C)[C@H]1COCC12OCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573680294 948177567 /nfs/dbraw/zinc/17/75/67/948177567.db2.gz PJQJPBHNJXNTQQ-GHMZBOCLSA-N -1 1 392.420 -0.449 20 0 GBADMM C[C@H](C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573680295 948177167 /nfs/dbraw/zinc/17/71/67/948177167.db2.gz PJQJPBHNJXNTQQ-MNOVXSKESA-N -1 1 392.420 -0.449 20 0 GBADMM C[C@@H](C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573680296 948176869 /nfs/dbraw/zinc/17/68/69/948176869.db2.gz PJQJPBHNJXNTQQ-QWRGUYRKSA-N -1 1 392.420 -0.449 20 0 GBADMM C[C@@H](C(=O)NCC(C)(C)[C@H]1COCC12OCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573680297 948177476 /nfs/dbraw/zinc/17/74/76/948177476.db2.gz PJQJPBHNJXNTQQ-WDEREUQCSA-N -1 1 392.420 -0.449 20 0 GBADMM C[C@@H](C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573680576 948181676 /nfs/dbraw/zinc/18/16/76/948181676.db2.gz OPDPFYYRITUHSO-GHMZBOCLSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573680577 948182170 /nfs/dbraw/zinc/18/21/70/948182170.db2.gz OPDPFYYRITUHSO-MNOVXSKESA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@H](C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573680578 948182729 /nfs/dbraw/zinc/18/27/29/948182729.db2.gz OPDPFYYRITUHSO-QWRGUYRKSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@H](C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573680579 948183039 /nfs/dbraw/zinc/18/30/39/948183039.db2.gz OPDPFYYRITUHSO-WDEREUQCSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573680639 948184266 /nfs/dbraw/zinc/18/42/66/948184266.db2.gz PAJYLZGDGFAKHP-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573680639 948184259 /nfs/dbraw/zinc/18/42/59/948184259.db2.gz PAJYLZGDGFAKHP-PSASIEDQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573680640 948184761 /nfs/dbraw/zinc/18/47/61/948184761.db2.gz PAJYLZGDGFAKHP-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573680640 948184759 /nfs/dbraw/zinc/18/47/59/948184759.db2.gz PAJYLZGDGFAKHP-SCZZXKLOSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573680642 948184086 /nfs/dbraw/zinc/18/40/86/948184086.db2.gz PAJYLZGDGFAKHP-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573680642 948184081 /nfs/dbraw/zinc/18/40/81/948184081.db2.gz PAJYLZGDGFAKHP-WCBMZHEXSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573680644 948184113 /nfs/dbraw/zinc/18/41/13/948184113.db2.gz PAJYLZGDGFAKHP-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573680644 948184104 /nfs/dbraw/zinc/18/41/04/948184104.db2.gz PAJYLZGDGFAKHP-WPRPVWTQSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573681332 948202188 /nfs/dbraw/zinc/20/21/88/948202188.db2.gz VAXALQPDJLZNPW-GWCFXTLKSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573681334 948200597 /nfs/dbraw/zinc/20/05/97/948200597.db2.gz VAXALQPDJLZNPW-GXFFZTMASA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573681336 948201436 /nfs/dbraw/zinc/20/14/36/948201436.db2.gz VAXALQPDJLZNPW-MFKMUULPSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573681338 948201587 /nfs/dbraw/zinc/20/15/87/948201587.db2.gz VAXALQPDJLZNPW-ZWNOBZJWSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@H](C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573681584 948207447 /nfs/dbraw/zinc/20/74/47/948207447.db2.gz WPEUCRWUYYWNMK-GWCFXTLKSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@H](C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573681585 948208305 /nfs/dbraw/zinc/20/83/05/948208305.db2.gz WPEUCRWUYYWNMK-GXFFZTMASA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573681586 948207786 /nfs/dbraw/zinc/20/77/86/948207786.db2.gz WPEUCRWUYYWNMK-MFKMUULPSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@@H](C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573681587 948208733 /nfs/dbraw/zinc/20/87/33/948208733.db2.gz WPEUCRWUYYWNMK-ZWNOBZJWSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)n1cncn1 ZINC001573681680 948210307 /nfs/dbraw/zinc/21/03/07/948210307.db2.gz YZAGIOCWIAOJKD-GHMZBOCLSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)n1cncn1 ZINC001573681680 948210299 /nfs/dbraw/zinc/21/02/99/948210299.db2.gz YZAGIOCWIAOJKD-GHMZBOCLSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)n1cncn1 ZINC001573681681 948209613 /nfs/dbraw/zinc/20/96/13/948209613.db2.gz YZAGIOCWIAOJKD-MNOVXSKESA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)n1cncn1 ZINC001573681681 948209608 /nfs/dbraw/zinc/20/96/08/948209608.db2.gz YZAGIOCWIAOJKD-MNOVXSKESA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)n1cncn1 ZINC001573681682 948211142 /nfs/dbraw/zinc/21/11/42/948211142.db2.gz YZAGIOCWIAOJKD-QWRGUYRKSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)n1cncn1 ZINC001573681682 948211132 /nfs/dbraw/zinc/21/11/32/948211132.db2.gz YZAGIOCWIAOJKD-QWRGUYRKSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)n1cncn1 ZINC001573681683 948209535 /nfs/dbraw/zinc/20/95/35/948209535.db2.gz YZAGIOCWIAOJKD-WDEREUQCSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)n1cncn1 ZINC001573681683 948209528 /nfs/dbraw/zinc/20/95/28/948209528.db2.gz YZAGIOCWIAOJKD-WDEREUQCSA-N -1 1 383.420 -0.160 20 0 GBADMM C[C@H](C(=O)NCC1(N2CCOCC2)CCOCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573689944 948221843 /nfs/dbraw/zinc/22/18/43/948221843.db2.gz AVWPKSLXMQLTOE-GFCCVEGCSA-N -1 1 391.436 -0.983 20 0 GBADMM C[C@@H](C(=O)NCC1(N2CCOCC2)CCOCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573689945 948220969 /nfs/dbraw/zinc/22/09/69/948220969.db2.gz AVWPKSLXMQLTOE-LBPRGKRZSA-N -1 1 391.436 -0.983 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)S(C)(=O)=O ZINC001573691192 948239133 /nfs/dbraw/zinc/23/91/33/948239133.db2.gz DTGJRBUVSXRNKC-SECBINFHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)S(C)(=O)=O ZINC001573691192 948239123 /nfs/dbraw/zinc/23/91/23/948239123.db2.gz DTGJRBUVSXRNKC-SECBINFHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)S(C)(=O)=O ZINC001573691196 948238647 /nfs/dbraw/zinc/23/86/47/948238647.db2.gz DTGJRBUVSXRNKC-VIFPVBQESA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)S(C)(=O)=O ZINC001573691196 948238635 /nfs/dbraw/zinc/23/86/35/948238635.db2.gz DTGJRBUVSXRNKC-VIFPVBQESA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cncn1 ZINC001573691366 948241086 /nfs/dbraw/zinc/24/10/86/948241086.db2.gz GBEJGSAEXSQUAY-LLVKDONJSA-N -1 1 383.420 -0.228 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cncn1 ZINC001573691367 948241507 /nfs/dbraw/zinc/24/15/07/948241507.db2.gz GBEJGSAEXSQUAY-NSHDSACASA-N -1 1 383.420 -0.228 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)S(C)(=O)=O ZINC001573691889 948250638 /nfs/dbraw/zinc/25/06/38/948250638.db2.gz JTJZQAMGGZFUQL-SECBINFHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)S(C)(=O)=O ZINC001573691889 948250634 /nfs/dbraw/zinc/25/06/34/948250634.db2.gz JTJZQAMGGZFUQL-SECBINFHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)S(C)(=O)=O ZINC001573691890 948249750 /nfs/dbraw/zinc/24/97/50/948249750.db2.gz JTJZQAMGGZFUQL-VIFPVBQESA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)S(C)(=O)=O ZINC001573691890 948249739 /nfs/dbraw/zinc/24/97/39/948249739.db2.gz JTJZQAMGGZFUQL-VIFPVBQESA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692612 948269217 /nfs/dbraw/zinc/26/92/17/948269217.db2.gz REWDLUKWQLGAIX-GHMZBOCLSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692614 948270108 /nfs/dbraw/zinc/27/01/08/948270108.db2.gz REWDLUKWQLGAIX-MNOVXSKESA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692616 948269080 /nfs/dbraw/zinc/26/90/80/948269080.db2.gz REWDLUKWQLGAIX-QWRGUYRKSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692618 948268749 /nfs/dbraw/zinc/26/87/49/948268749.db2.gz REWDLUKWQLGAIX-WDEREUQCSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@H](C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573692961 948275674 /nfs/dbraw/zinc/27/56/74/948275674.db2.gz REOWKXSPEIEPLB-GWCFXTLKSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@H](C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573692964 948277200 /nfs/dbraw/zinc/27/72/00/948277200.db2.gz REOWKXSPEIEPLB-GXFFZTMASA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573692966 948276325 /nfs/dbraw/zinc/27/63/25/948276325.db2.gz REOWKXSPEIEPLB-MFKMUULPSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@@H](C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573692969 948276542 /nfs/dbraw/zinc/27/65/42/948276542.db2.gz REOWKXSPEIEPLB-ZWNOBZJWSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cncn1 ZINC001573693660 948284560 /nfs/dbraw/zinc/28/45/60/948284560.db2.gz AOATVGUSMHRITI-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cncn1 ZINC001573693660 948284549 /nfs/dbraw/zinc/28/45/49/948284549.db2.gz AOATVGUSMHRITI-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cncn1 ZINC001573693661 948284154 /nfs/dbraw/zinc/28/41/54/948284154.db2.gz AOATVGUSMHRITI-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cncn1 ZINC001573693661 948284147 /nfs/dbraw/zinc/28/41/47/948284147.db2.gz AOATVGUSMHRITI-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccn1 ZINC001573694192 948292191 /nfs/dbraw/zinc/29/21/91/948292191.db2.gz BFWHXHNQBHHKGG-LPWJVIDDSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccn1 ZINC001573694192 948292182 /nfs/dbraw/zinc/29/21/82/948292182.db2.gz BFWHXHNQBHHKGG-LPWJVIDDSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccn1 ZINC001573694205 948292316 /nfs/dbraw/zinc/29/23/16/948292316.db2.gz BFWHXHNQBHHKGG-ZDEQEGDKSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccn1 ZINC001573694205 948292305 /nfs/dbraw/zinc/29/23/05/948292305.db2.gz BFWHXHNQBHHKGG-ZDEQEGDKSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573694271 948291942 /nfs/dbraw/zinc/29/19/42/948291942.db2.gz CAXBRDVHEQXSSY-BDJLRTHQSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573694271 948291932 /nfs/dbraw/zinc/29/19/32/948291932.db2.gz CAXBRDVHEQXSSY-BDJLRTHQSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573694272 948292683 /nfs/dbraw/zinc/29/26/83/948292683.db2.gz CAXBRDVHEQXSSY-BZNIZROVSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573694272 948292674 /nfs/dbraw/zinc/29/26/74/948292674.db2.gz CAXBRDVHEQXSSY-BZNIZROVSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573694273 948291268 /nfs/dbraw/zinc/29/12/68/948291268.db2.gz CAXBRDVHEQXSSY-MEDUHNTESA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573694273 948291256 /nfs/dbraw/zinc/29/12/56/948291256.db2.gz CAXBRDVHEQXSSY-MEDUHNTESA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573694274 948292481 /nfs/dbraw/zinc/29/24/81/948292481.db2.gz CAXBRDVHEQXSSY-ZBEGNZNMSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573694274 948292475 /nfs/dbraw/zinc/29/24/75/948292475.db2.gz CAXBRDVHEQXSSY-ZBEGNZNMSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573694275 948292408 /nfs/dbraw/zinc/29/24/08/948292408.db2.gz CBIVEYSGUXREHZ-BDJLRTHQSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573694275 948292401 /nfs/dbraw/zinc/29/24/01/948292401.db2.gz CBIVEYSGUXREHZ-BDJLRTHQSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573694276 948291301 /nfs/dbraw/zinc/29/13/01/948291301.db2.gz CBIVEYSGUXREHZ-BZNIZROVSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573694276 948291291 /nfs/dbraw/zinc/29/12/91/948291291.db2.gz CBIVEYSGUXREHZ-BZNIZROVSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573694277 948291793 /nfs/dbraw/zinc/29/17/93/948291793.db2.gz CBIVEYSGUXREHZ-MEDUHNTESA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573694277 948291785 /nfs/dbraw/zinc/29/17/85/948291785.db2.gz CBIVEYSGUXREHZ-MEDUHNTESA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573694278 948291769 /nfs/dbraw/zinc/29/17/69/948291769.db2.gz CBIVEYSGUXREHZ-ZBEGNZNMSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573694278 948291761 /nfs/dbraw/zinc/29/17/61/948291761.db2.gz CBIVEYSGUXREHZ-ZBEGNZNMSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cncn1 ZINC001573694652 948296451 /nfs/dbraw/zinc/29/64/51/948296451.db2.gz CSJHKPRXUGCGSJ-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cncn1 ZINC001573694652 948296443 /nfs/dbraw/zinc/29/64/43/948296443.db2.gz CSJHKPRXUGCGSJ-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cncn1 ZINC001573694654 948295861 /nfs/dbraw/zinc/29/58/61/948295861.db2.gz CSJHKPRXUGCGSJ-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cncn1 ZINC001573694654 948295854 /nfs/dbraw/zinc/29/58/54/948295854.db2.gz CSJHKPRXUGCGSJ-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573694674 948298169 /nfs/dbraw/zinc/29/81/69/948298169.db2.gz CXUVAUOGFBOQCG-BDJLRTHQSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573694674 948298161 /nfs/dbraw/zinc/29/81/61/948298161.db2.gz CXUVAUOGFBOQCG-BDJLRTHQSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573694676 948298408 /nfs/dbraw/zinc/29/84/08/948298408.db2.gz CXUVAUOGFBOQCG-BZNIZROVSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573694676 948298401 /nfs/dbraw/zinc/29/84/01/948298401.db2.gz CXUVAUOGFBOQCG-BZNIZROVSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573694678 948297349 /nfs/dbraw/zinc/29/73/49/948297349.db2.gz CXUVAUOGFBOQCG-MEDUHNTESA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573694678 948297340 /nfs/dbraw/zinc/29/73/40/948297340.db2.gz CXUVAUOGFBOQCG-MEDUHNTESA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573694680 948297979 /nfs/dbraw/zinc/29/79/79/948297979.db2.gz CXUVAUOGFBOQCG-ZBEGNZNMSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573694680 948297970 /nfs/dbraw/zinc/29/79/70/948297970.db2.gz CXUVAUOGFBOQCG-ZBEGNZNMSA-N -1 1 384.404 -0.828 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573694737 948298545 /nfs/dbraw/zinc/29/85/45/948298545.db2.gz DGTPDDWTBAKPQP-AMIZOPFISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573694737 948298535 /nfs/dbraw/zinc/29/85/35/948298535.db2.gz DGTPDDWTBAKPQP-AMIZOPFISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573694738 948297548 /nfs/dbraw/zinc/29/75/48/948297548.db2.gz DGTPDDWTBAKPQP-ISVAXAHUSA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573694738 948297544 /nfs/dbraw/zinc/29/75/44/948297544.db2.gz DGTPDDWTBAKPQP-ISVAXAHUSA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573694739 948297511 /nfs/dbraw/zinc/29/75/11/948297511.db2.gz DGTPDDWTBAKPQP-OQPBUACISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573694739 948297506 /nfs/dbraw/zinc/29/75/06/948297506.db2.gz DGTPDDWTBAKPQP-OQPBUACISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573694740 948298266 /nfs/dbraw/zinc/29/82/66/948298266.db2.gz DGTPDDWTBAKPQP-SDBXPKJASA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573694740 948298260 /nfs/dbraw/zinc/29/82/60/948298260.db2.gz DGTPDDWTBAKPQP-SDBXPKJASA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573695586 948307506 /nfs/dbraw/zinc/30/75/06/948307506.db2.gz XTWQKSQUAPYVJM-GHMZBOCLSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@@H](C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573695588 948306846 /nfs/dbraw/zinc/30/68/46/948306846.db2.gz XTWQKSQUAPYVJM-MNOVXSKESA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@H](C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573695589 948306545 /nfs/dbraw/zinc/30/65/45/948306545.db2.gz XTWQKSQUAPYVJM-QWRGUYRKSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@H](C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573695591 948306344 /nfs/dbraw/zinc/30/63/44/948306344.db2.gz XTWQKSQUAPYVJM-WDEREUQCSA-N -1 1 386.391 -0.090 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573695843 948311569 /nfs/dbraw/zinc/31/15/69/948311569.db2.gz JBUHTSYXEANGMZ-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573695843 948311563 /nfs/dbraw/zinc/31/15/63/948311563.db2.gz JBUHTSYXEANGMZ-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573695845 948311639 /nfs/dbraw/zinc/31/16/39/948311639.db2.gz JBUHTSYXEANGMZ-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573695845 948311631 /nfs/dbraw/zinc/31/16/31/948311631.db2.gz JBUHTSYXEANGMZ-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573695864 948312215 /nfs/dbraw/zinc/31/22/15/948312215.db2.gz JEEKPCMCRLTSJL-PXAZEXFGSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573695864 948312205 /nfs/dbraw/zinc/31/22/05/948312205.db2.gz JEEKPCMCRLTSJL-PXAZEXFGSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573695866 948310881 /nfs/dbraw/zinc/31/08/81/948310881.db2.gz JEEKPCMCRLTSJL-SJCJKPOMSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573695866 948310877 /nfs/dbraw/zinc/31/08/77/948310877.db2.gz JEEKPCMCRLTSJL-SJCJKPOMSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573695868 948311615 /nfs/dbraw/zinc/31/16/15/948311615.db2.gz JEEKPCMCRLTSJL-SJKOYZFVSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573695868 948311607 /nfs/dbraw/zinc/31/16/07/948311607.db2.gz JEEKPCMCRLTSJL-SJKOYZFVSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573695870 948311718 /nfs/dbraw/zinc/31/17/18/948311718.db2.gz JEEKPCMCRLTSJL-YVEFUNNKSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573695870 948311708 /nfs/dbraw/zinc/31/17/08/948311708.db2.gz JEEKPCMCRLTSJL-YVEFUNNKSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573696064 948315444 /nfs/dbraw/zinc/31/54/44/948315444.db2.gz KHYXPTGBNUVSLZ-AMIZOPFISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573696064 948315436 /nfs/dbraw/zinc/31/54/36/948315436.db2.gz KHYXPTGBNUVSLZ-AMIZOPFISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573696065 948316932 /nfs/dbraw/zinc/31/69/32/948316932.db2.gz KHYXPTGBNUVSLZ-ISVAXAHUSA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573696065 948316925 /nfs/dbraw/zinc/31/69/25/948316925.db2.gz KHYXPTGBNUVSLZ-ISVAXAHUSA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573696066 948316294 /nfs/dbraw/zinc/31/62/94/948316294.db2.gz KHYXPTGBNUVSLZ-OQPBUACISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573696066 948316284 /nfs/dbraw/zinc/31/62/84/948316284.db2.gz KHYXPTGBNUVSLZ-OQPBUACISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573696067 948315875 /nfs/dbraw/zinc/31/58/75/948315875.db2.gz KHYXPTGBNUVSLZ-SDBXPKJASA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573696067 948315868 /nfs/dbraw/zinc/31/58/68/948315868.db2.gz KHYXPTGBNUVSLZ-SDBXPKJASA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573696086 948316515 /nfs/dbraw/zinc/31/65/15/948316515.db2.gz KXGJDBIVPPGCHE-JTQLQIEISA-N -1 1 392.445 -0.658 20 0 GBADMM C[C@@H](C(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573696086 948316506 /nfs/dbraw/zinc/31/65/06/948316506.db2.gz KXGJDBIVPPGCHE-JTQLQIEISA-N -1 1 392.445 -0.658 20 0 GBADMM C[C@H](C(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573696087 948316872 /nfs/dbraw/zinc/31/68/72/948316872.db2.gz KXGJDBIVPPGCHE-SNVBAGLBSA-N -1 1 392.445 -0.658 20 0 GBADMM C[C@H](C(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573696087 948316866 /nfs/dbraw/zinc/31/68/66/948316866.db2.gz KXGJDBIVPPGCHE-SNVBAGLBSA-N -1 1 392.445 -0.658 20 0 GBADMM C[C@H](C(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573696106 948315828 /nfs/dbraw/zinc/31/58/28/948315828.db2.gz LDAXVNCTUMIZCH-LLVKDONJSA-N -1 1 381.404 -0.238 20 0 GBADMM C[C@H](C(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573696106 948315820 /nfs/dbraw/zinc/31/58/20/948315820.db2.gz LDAXVNCTUMIZCH-LLVKDONJSA-N -1 1 381.404 -0.238 20 0 GBADMM C[C@@H](C(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573696107 948316124 /nfs/dbraw/zinc/31/61/24/948316124.db2.gz LDAXVNCTUMIZCH-NSHDSACASA-N -1 1 381.404 -0.238 20 0 GBADMM C[C@@H](C(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573696107 948316115 /nfs/dbraw/zinc/31/61/15/948316115.db2.gz LDAXVNCTUMIZCH-NSHDSACASA-N -1 1 381.404 -0.238 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573696134 948318534 /nfs/dbraw/zinc/31/85/34/948318534.db2.gz LMMXBMOXVDMMDJ-PXAZEXFGSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573696134 948318522 /nfs/dbraw/zinc/31/85/22/948318522.db2.gz LMMXBMOXVDMMDJ-PXAZEXFGSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573696135 948318989 /nfs/dbraw/zinc/31/89/89/948318989.db2.gz LMMXBMOXVDMMDJ-SJCJKPOMSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573696135 948318982 /nfs/dbraw/zinc/31/89/82/948318982.db2.gz LMMXBMOXVDMMDJ-SJCJKPOMSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573696136 948318607 /nfs/dbraw/zinc/31/86/07/948318607.db2.gz LMMXBMOXVDMMDJ-SJKOYZFVSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573696136 948318592 /nfs/dbraw/zinc/31/85/92/948318592.db2.gz LMMXBMOXVDMMDJ-SJKOYZFVSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573696137 948319121 /nfs/dbraw/zinc/31/91/21/948319121.db2.gz LMMXBMOXVDMMDJ-YVEFUNNKSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573696137 948319115 /nfs/dbraw/zinc/31/91/15/948319115.db2.gz LMMXBMOXVDMMDJ-YVEFUNNKSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573696322 948322519 /nfs/dbraw/zinc/32/25/19/948322519.db2.gz NYXHCNAKWHPGEE-AMIZOPFISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573696323 948322789 /nfs/dbraw/zinc/32/27/89/948322789.db2.gz NYXHCNAKWHPGEE-ISVAXAHUSA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573696324 948321600 /nfs/dbraw/zinc/32/16/00/948321600.db2.gz NYXHCNAKWHPGEE-OQPBUACISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573696325 948321793 /nfs/dbraw/zinc/32/17/93/948321793.db2.gz NYXHCNAKWHPGEE-SDBXPKJASA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cncn1 ZINC001573696346 948321717 /nfs/dbraw/zinc/32/17/17/948321717.db2.gz OKJXGFNMONRXNZ-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cncn1 ZINC001573696347 948321369 /nfs/dbraw/zinc/32/13/69/948321369.db2.gz OKJXGFNMONRXNZ-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573696396 948323484 /nfs/dbraw/zinc/32/34/84/948323484.db2.gz PLDDKIQVROLZDR-AMIZOPFISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573696396 948323479 /nfs/dbraw/zinc/32/34/79/948323479.db2.gz PLDDKIQVROLZDR-AMIZOPFISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573696397 948325215 /nfs/dbraw/zinc/32/52/15/948325215.db2.gz PLDDKIQVROLZDR-ISVAXAHUSA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573696397 948325205 /nfs/dbraw/zinc/32/52/05/948325205.db2.gz PLDDKIQVROLZDR-ISVAXAHUSA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573696398 948323556 /nfs/dbraw/zinc/32/35/56/948323556.db2.gz PLDDKIQVROLZDR-OQPBUACISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573696398 948323549 /nfs/dbraw/zinc/32/35/49/948323549.db2.gz PLDDKIQVROLZDR-OQPBUACISA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573696399 948324149 /nfs/dbraw/zinc/32/41/49/948324149.db2.gz PLDDKIQVROLZDR-SDBXPKJASA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573696399 948324139 /nfs/dbraw/zinc/32/41/39/948324139.db2.gz PLDDKIQVROLZDR-SDBXPKJASA-N -1 1 386.338 -0.088 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1cncn1 ZINC001573696444 948325672 /nfs/dbraw/zinc/32/56/72/948325672.db2.gz QDRONHJXDJTNIE-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1cncn1 ZINC001573696444 948325661 /nfs/dbraw/zinc/32/56/61/948325661.db2.gz QDRONHJXDJTNIE-FIQHERPVSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1cncn1 ZINC001573696445 948326143 /nfs/dbraw/zinc/32/61/43/948326143.db2.gz QDRONHJXDJTNIE-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1cncn1 ZINC001573696445 948326130 /nfs/dbraw/zinc/32/61/30/948326130.db2.gz QDRONHJXDJTNIE-KKOKHZNYSA-N -1 1 381.404 -0.692 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573696510 948326381 /nfs/dbraw/zinc/32/63/81/948326381.db2.gz RRULIZACQXSUMF-LPWJVIDDSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573696510 948326370 /nfs/dbraw/zinc/32/63/70/948326370.db2.gz RRULIZACQXSUMF-LPWJVIDDSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573696513 948328423 /nfs/dbraw/zinc/32/84/23/948328423.db2.gz RRULIZACQXSUMF-ZDEQEGDKSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573696513 948328415 /nfs/dbraw/zinc/32/84/15/948328415.db2.gz RRULIZACQXSUMF-ZDEQEGDKSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001573696680 948332736 /nfs/dbraw/zinc/33/27/36/948332736.db2.gz VMMCZHPBZMBMEC-LPWJVIDDSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001573696680 948332727 /nfs/dbraw/zinc/33/27/27/948332727.db2.gz VMMCZHPBZMBMEC-LPWJVIDDSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001573696683 948332294 /nfs/dbraw/zinc/33/22/94/948332294.db2.gz VMMCZHPBZMBMEC-ZDEQEGDKSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001573696683 948332288 /nfs/dbraw/zinc/33/22/88/948332288.db2.gz VMMCZHPBZMBMEC-ZDEQEGDKSA-N -1 1 380.416 -0.087 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573696688 948332396 /nfs/dbraw/zinc/33/23/96/948332396.db2.gz VVRJZDSMRXKGIY-PXAZEXFGSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573696688 948332390 /nfs/dbraw/zinc/33/23/90/948332390.db2.gz VVRJZDSMRXKGIY-PXAZEXFGSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573696689 948333081 /nfs/dbraw/zinc/33/30/81/948333081.db2.gz VVRJZDSMRXKGIY-SJCJKPOMSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573696689 948333072 /nfs/dbraw/zinc/33/30/72/948333072.db2.gz VVRJZDSMRXKGIY-SJCJKPOMSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573696690 948332377 /nfs/dbraw/zinc/33/23/77/948332377.db2.gz VVRJZDSMRXKGIY-SJKOYZFVSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573696690 948332373 /nfs/dbraw/zinc/33/23/73/948332373.db2.gz VVRJZDSMRXKGIY-SJKOYZFVSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573696691 948332951 /nfs/dbraw/zinc/33/29/51/948332951.db2.gz VVRJZDSMRXKGIY-YVEFUNNKSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573696691 948332939 /nfs/dbraw/zinc/33/29/39/948332939.db2.gz VVRJZDSMRXKGIY-YVEFUNNKSA-N -1 1 383.416 -0.223 20 0 GBADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573696900 948335887 /nfs/dbraw/zinc/33/58/87/948335887.db2.gz ZPOXZGAMKLCMLJ-JTQLQIEISA-N -1 1 389.445 -0.556 20 0 GBADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573696901 948336842 /nfs/dbraw/zinc/33/68/42/948336842.db2.gz ZPOXZGAMKLCMLJ-SNVBAGLBSA-N -1 1 389.445 -0.556 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)S(C)(=O)=O ZINC001573696924 948338413 /nfs/dbraw/zinc/33/84/13/948338413.db2.gz ZZZWICVHIGZAKH-SECBINFHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)S(C)(=O)=O ZINC001573696924 948338404 /nfs/dbraw/zinc/33/84/04/948338404.db2.gz ZZZWICVHIGZAKH-SECBINFHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)S(C)(=O)=O ZINC001573696925 948337828 /nfs/dbraw/zinc/33/78/28/948337828.db2.gz ZZZWICVHIGZAKH-VIFPVBQESA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)S(C)(=O)=O ZINC001573696925 948337822 /nfs/dbraw/zinc/33/78/22/948337822.db2.gz ZZZWICVHIGZAKH-VIFPVBQESA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573701432 948339118 /nfs/dbraw/zinc/33/91/18/948339118.db2.gz AFANCBRXSMGKSA-OFLUOSHYSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573701433 948338088 /nfs/dbraw/zinc/33/80/88/948338088.db2.gz AFANCBRXSMGKSA-UBJLHIIHSA-N -1 1 380.434 -0.509 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573701468 948339019 /nfs/dbraw/zinc/33/90/19/948339019.db2.gz AKIFQZHEEKHEIB-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573701470 948338250 /nfs/dbraw/zinc/33/82/50/948338250.db2.gz AKIFQZHEEKHEIB-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573701471 948339297 /nfs/dbraw/zinc/33/92/97/948339297.db2.gz AKIFQZHEEKHEIB-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573701473 948338237 /nfs/dbraw/zinc/33/82/37/948338237.db2.gz AKIFQZHEEKHEIB-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573701585 948340117 /nfs/dbraw/zinc/34/01/17/948340117.db2.gz BDWZBQXUXIANNR-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573701585 948340110 /nfs/dbraw/zinc/34/01/10/948340110.db2.gz BDWZBQXUXIANNR-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573701587 948340811 /nfs/dbraw/zinc/34/08/11/948340811.db2.gz BDWZBQXUXIANNR-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573701587 948340803 /nfs/dbraw/zinc/34/08/03/948340803.db2.gz BDWZBQXUXIANNR-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573701589 948341740 /nfs/dbraw/zinc/34/17/40/948341740.db2.gz BDWZBQXUXIANNR-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573701589 948341728 /nfs/dbraw/zinc/34/17/28/948341728.db2.gz BDWZBQXUXIANNR-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573701590 948340839 /nfs/dbraw/zinc/34/08/39/948340839.db2.gz BDWZBQXUXIANNR-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573701590 948340827 /nfs/dbraw/zinc/34/08/27/948340827.db2.gz BDWZBQXUXIANNR-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573701994 948343503 /nfs/dbraw/zinc/34/35/03/948343503.db2.gz CDEWNHYHEGXNMM-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573701994 948343497 /nfs/dbraw/zinc/34/34/97/948343497.db2.gz CDEWNHYHEGXNMM-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573701996 948343082 /nfs/dbraw/zinc/34/30/82/948343082.db2.gz CDEWNHYHEGXNMM-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573701996 948343073 /nfs/dbraw/zinc/34/30/73/948343073.db2.gz CDEWNHYHEGXNMM-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCC1CCC(S(C)(=O)=O)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573702261 948344171 /nfs/dbraw/zinc/34/41/71/948344171.db2.gz CWIYDDPFVDLTPA-KPPDAEKUSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](C(=O)NCC1CCC(S(C)(=O)=O)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573702262 948345423 /nfs/dbraw/zinc/34/54/23/948345423.db2.gz CWIYDDPFVDLTPA-WHXUTIOJSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573702307 948344610 /nfs/dbraw/zinc/34/46/10/948344610.db2.gz DSDGVWGVSJXMGT-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573702307 948344603 /nfs/dbraw/zinc/34/46/03/948344603.db2.gz DSDGVWGVSJXMGT-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573702308 948344900 /nfs/dbraw/zinc/34/49/00/948344900.db2.gz DSDGVWGVSJXMGT-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573702308 948344894 /nfs/dbraw/zinc/34/48/94/948344894.db2.gz DSDGVWGVSJXMGT-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573702309 948344801 /nfs/dbraw/zinc/34/48/01/948344801.db2.gz DSDGVWGVSJXMGT-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573702309 948344797 /nfs/dbraw/zinc/34/47/97/948344797.db2.gz DSDGVWGVSJXMGT-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573702310 948345577 /nfs/dbraw/zinc/34/55/77/948345577.db2.gz DSDGVWGVSJXMGT-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573702310 948345572 /nfs/dbraw/zinc/34/55/72/948345572.db2.gz DSDGVWGVSJXMGT-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573702850 948349030 /nfs/dbraw/zinc/34/90/30/948349030.db2.gz GKJWLQCJNGILKV-XSRFYTQQSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573702851 948348355 /nfs/dbraw/zinc/34/83/55/948348355.db2.gz GKJWLQCJNGILKV-ZBOXLXRLSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001573703598 948356872 /nfs/dbraw/zinc/35/68/72/948356872.db2.gz LEJSHZYIZOYKQF-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001573703598 948356862 /nfs/dbraw/zinc/35/68/62/948356862.db2.gz LEJSHZYIZOYKQF-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001573703600 948357156 /nfs/dbraw/zinc/35/71/56/948357156.db2.gz LEJSHZYIZOYKQF-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001573703600 948357143 /nfs/dbraw/zinc/35/71/43/948357143.db2.gz LEJSHZYIZOYKQF-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001573703602 948357710 /nfs/dbraw/zinc/35/77/10/948357710.db2.gz LEJSHZYIZOYKQF-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001573703602 948357703 /nfs/dbraw/zinc/35/77/03/948357703.db2.gz LEJSHZYIZOYKQF-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001573703604 948357639 /nfs/dbraw/zinc/35/76/39/948357639.db2.gz LEJSHZYIZOYKQF-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001573703604 948357634 /nfs/dbraw/zinc/35/76/34/948357634.db2.gz LEJSHZYIZOYKQF-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573704030 948363194 /nfs/dbraw/zinc/36/31/94/948363194.db2.gz OEBNLSNTWCHQNQ-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573704030 948363186 /nfs/dbraw/zinc/36/31/86/948363186.db2.gz OEBNLSNTWCHQNQ-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573704031 948363412 /nfs/dbraw/zinc/36/34/12/948363412.db2.gz OEBNLSNTWCHQNQ-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573704031 948363404 /nfs/dbraw/zinc/36/34/04/948363404.db2.gz OEBNLSNTWCHQNQ-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573704050 948363935 /nfs/dbraw/zinc/36/39/35/948363935.db2.gz OMNPPALVVUYKSW-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573704050 948363929 /nfs/dbraw/zinc/36/39/29/948363929.db2.gz OMNPPALVVUYKSW-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573704051 948363045 /nfs/dbraw/zinc/36/30/45/948363045.db2.gz OMNPPALVVUYKSW-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573704051 948363038 /nfs/dbraw/zinc/36/30/38/948363038.db2.gz OMNPPALVVUYKSW-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573704052 948364726 /nfs/dbraw/zinc/36/47/26/948364726.db2.gz OMNPPALVVUYKSW-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573704052 948364719 /nfs/dbraw/zinc/36/47/19/948364719.db2.gz OMNPPALVVUYKSW-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573704053 948362979 /nfs/dbraw/zinc/36/29/79/948362979.db2.gz OMNPPALVVUYKSW-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573704053 948362973 /nfs/dbraw/zinc/36/29/73/948362973.db2.gz OMNPPALVVUYKSW-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573704190 948368356 /nfs/dbraw/zinc/36/83/56/948368356.db2.gz QFWPQZHWMOIIAV-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573704191 948368638 /nfs/dbraw/zinc/36/86/38/948368638.db2.gz QFWPQZHWMOIIAV-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573704192 948367614 /nfs/dbraw/zinc/36/76/14/948367614.db2.gz QFWPQZHWMOIIAV-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573704193 948367632 /nfs/dbraw/zinc/36/76/32/948367632.db2.gz QFWPQZHWMOIIAV-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573704222 948368441 /nfs/dbraw/zinc/36/84/41/948368441.db2.gz QSOZYTSVHVQBGQ-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573704222 948368435 /nfs/dbraw/zinc/36/84/35/948368435.db2.gz QSOZYTSVHVQBGQ-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573704223 948367795 /nfs/dbraw/zinc/36/77/95/948367795.db2.gz QSOZYTSVHVQBGQ-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573704223 948367789 /nfs/dbraw/zinc/36/77/89/948367789.db2.gz QSOZYTSVHVQBGQ-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573704224 948367716 /nfs/dbraw/zinc/36/77/16/948367716.db2.gz QSOZYTSVHVQBGQ-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573704224 948367711 /nfs/dbraw/zinc/36/77/11/948367711.db2.gz QSOZYTSVHVQBGQ-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573704225 948368258 /nfs/dbraw/zinc/36/82/58/948368258.db2.gz QSOZYTSVHVQBGQ-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573704225 948368252 /nfs/dbraw/zinc/36/82/52/948368252.db2.gz QSOZYTSVHVQBGQ-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573704341 948369373 /nfs/dbraw/zinc/36/93/73/948369373.db2.gz ASWQFWWPLJZLCT-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573704341 948369364 /nfs/dbraw/zinc/36/93/64/948369364.db2.gz ASWQFWWPLJZLCT-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573704342 948371613 /nfs/dbraw/zinc/37/16/13/948371613.db2.gz ASWQFWWPLJZLCT-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573704342 948371606 /nfs/dbraw/zinc/37/16/06/948371606.db2.gz ASWQFWWPLJZLCT-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573704343 948371435 /nfs/dbraw/zinc/37/14/35/948371435.db2.gz ASWQFWWPLJZLCT-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573704343 948371427 /nfs/dbraw/zinc/37/14/27/948371427.db2.gz ASWQFWWPLJZLCT-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573704344 948371728 /nfs/dbraw/zinc/37/17/28/948371728.db2.gz ASWQFWWPLJZLCT-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573704344 948371721 /nfs/dbraw/zinc/37/17/21/948371721.db2.gz ASWQFWWPLJZLCT-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573704438 948374470 /nfs/dbraw/zinc/37/44/70/948374470.db2.gz SIYAPXNSYZUTBV-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573704438 948374465 /nfs/dbraw/zinc/37/44/65/948374465.db2.gz SIYAPXNSYZUTBV-IDKOKCKLSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573704439 948375124 /nfs/dbraw/zinc/37/51/24/948375124.db2.gz SIYAPXNSYZUTBV-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573704439 948375115 /nfs/dbraw/zinc/37/51/15/948375115.db2.gz SIYAPXNSYZUTBV-XNWIYYODSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573704471 948373543 /nfs/dbraw/zinc/37/35/43/948373543.db2.gz SRJMPLMUXWZYDP-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573704471 948373537 /nfs/dbraw/zinc/37/35/37/948373537.db2.gz SRJMPLMUXWZYDP-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573704472 948374805 /nfs/dbraw/zinc/37/48/05/948374805.db2.gz SRJMPLMUXWZYDP-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573704472 948374800 /nfs/dbraw/zinc/37/48/00/948374800.db2.gz SRJMPLMUXWZYDP-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573704473 948374291 /nfs/dbraw/zinc/37/42/91/948374291.db2.gz SRJMPLMUXWZYDP-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573704473 948374287 /nfs/dbraw/zinc/37/42/87/948374287.db2.gz SRJMPLMUXWZYDP-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573704474 948373739 /nfs/dbraw/zinc/37/37/39/948373739.db2.gz SRJMPLMUXWZYDP-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573704474 948373730 /nfs/dbraw/zinc/37/37/30/948373730.db2.gz SRJMPLMUXWZYDP-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573704598 948379071 /nfs/dbraw/zinc/37/90/71/948379071.db2.gz TUIIJBTVGRKACM-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573704598 948379060 /nfs/dbraw/zinc/37/90/60/948379060.db2.gz TUIIJBTVGRKACM-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573704599 948379114 /nfs/dbraw/zinc/37/91/14/948379114.db2.gz TUIIJBTVGRKACM-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573704599 948379109 /nfs/dbraw/zinc/37/91/09/948379109.db2.gz TUIIJBTVGRKACM-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573704600 948378480 /nfs/dbraw/zinc/37/84/80/948378480.db2.gz TUIIJBTVGRKACM-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573704600 948378474 /nfs/dbraw/zinc/37/84/74/948378474.db2.gz TUIIJBTVGRKACM-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573704601 948379044 /nfs/dbraw/zinc/37/90/44/948379044.db2.gz TUIIJBTVGRKACM-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573704601 948379036 /nfs/dbraw/zinc/37/90/36/948379036.db2.gz TUIIJBTVGRKACM-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573704620 948379189 /nfs/dbraw/zinc/37/91/89/948379189.db2.gz TZOWGDTUOYEBCO-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573704620 948379180 /nfs/dbraw/zinc/37/91/80/948379180.db2.gz TZOWGDTUOYEBCO-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573704621 948377548 /nfs/dbraw/zinc/37/75/48/948377548.db2.gz TZOWGDTUOYEBCO-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573704621 948377545 /nfs/dbraw/zinc/37/75/45/948377545.db2.gz TZOWGDTUOYEBCO-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573704622 948379022 /nfs/dbraw/zinc/37/90/22/948379022.db2.gz TZOWGDTUOYEBCO-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573704622 948379015 /nfs/dbraw/zinc/37/90/15/948379015.db2.gz TZOWGDTUOYEBCO-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573704623 948379093 /nfs/dbraw/zinc/37/90/93/948379093.db2.gz TZOWGDTUOYEBCO-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573704623 948379085 /nfs/dbraw/zinc/37/90/85/948379085.db2.gz TZOWGDTUOYEBCO-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573704648 948377745 /nfs/dbraw/zinc/37/77/45/948377745.db2.gz UHGUSCRJJAEJDG-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573704648 948377735 /nfs/dbraw/zinc/37/77/35/948377735.db2.gz UHGUSCRJJAEJDG-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573704649 948378286 /nfs/dbraw/zinc/37/82/86/948378286.db2.gz UHGUSCRJJAEJDG-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573704649 948378277 /nfs/dbraw/zinc/37/82/77/948378277.db2.gz UHGUSCRJJAEJDG-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573704650 948378238 /nfs/dbraw/zinc/37/82/38/948378238.db2.gz UHGUSCRJJAEJDG-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573704650 948378230 /nfs/dbraw/zinc/37/82/30/948378230.db2.gz UHGUSCRJJAEJDG-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573704651 948378394 /nfs/dbraw/zinc/37/83/94/948378394.db2.gz UHGUSCRJJAEJDG-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573704651 948378386 /nfs/dbraw/zinc/37/83/86/948378386.db2.gz UHGUSCRJJAEJDG-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573704676 948379629 /nfs/dbraw/zinc/37/96/29/948379629.db2.gz UREHECDZFYBKTE-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573704676 948379621 /nfs/dbraw/zinc/37/96/21/948379621.db2.gz UREHECDZFYBKTE-NEPJUHHUSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)n1cccn1 ZINC001573704820 948381819 /nfs/dbraw/zinc/38/18/19/948381819.db2.gz AVOVWHFFQLGWOS-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)n1cccn1 ZINC001573704820 948381809 /nfs/dbraw/zinc/38/18/09/948381809.db2.gz AVOVWHFFQLGWOS-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)n1cccn1 ZINC001573704822 948386034 /nfs/dbraw/zinc/38/60/34/948386034.db2.gz AVOVWHFFQLGWOS-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)n1cccn1 ZINC001573704822 948386027 /nfs/dbraw/zinc/38/60/27/948386027.db2.gz AVOVWHFFQLGWOS-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)n1cccn1 ZINC001573704824 948385529 /nfs/dbraw/zinc/38/55/29/948385529.db2.gz AVOVWHFFQLGWOS-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)n1cccn1 ZINC001573704824 948385515 /nfs/dbraw/zinc/38/55/15/948385515.db2.gz AVOVWHFFQLGWOS-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)n1cccn1 ZINC001573704826 948385554 /nfs/dbraw/zinc/38/55/54/948385554.db2.gz AVOVWHFFQLGWOS-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)n1cccn1 ZINC001573704826 948385547 /nfs/dbraw/zinc/38/55/47/948385547.db2.gz AVOVWHFFQLGWOS-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)n1cccn1 ZINC001573704839 948386077 /nfs/dbraw/zinc/38/60/77/948386077.db2.gz BCVTXEVDRDMKFL-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)n1cccn1 ZINC001573704839 948386069 /nfs/dbraw/zinc/38/60/69/948386069.db2.gz BCVTXEVDRDMKFL-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)n1cccn1 ZINC001573704840 948384833 /nfs/dbraw/zinc/38/48/33/948384833.db2.gz BCVTXEVDRDMKFL-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)n1cccn1 ZINC001573704840 948384829 /nfs/dbraw/zinc/38/48/29/948384829.db2.gz BCVTXEVDRDMKFL-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)n1cccn1 ZINC001573704841 948385193 /nfs/dbraw/zinc/38/51/93/948385193.db2.gz BCVTXEVDRDMKFL-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)n1cccn1 ZINC001573704841 948385187 /nfs/dbraw/zinc/38/51/87/948385187.db2.gz BCVTXEVDRDMKFL-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)n1cccn1 ZINC001573704842 948385133 /nfs/dbraw/zinc/38/51/33/948385133.db2.gz BCVTXEVDRDMKFL-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)n1cccn1 ZINC001573704842 948385126 /nfs/dbraw/zinc/38/51/26/948385126.db2.gz BCVTXEVDRDMKFL-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573704882 948385232 /nfs/dbraw/zinc/38/52/32/948385232.db2.gz UREHECDZFYBKTE-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573704882 948385223 /nfs/dbraw/zinc/38/52/23/948385223.db2.gz UREHECDZFYBKTE-NWDGAFQWSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573704884 948386052 /nfs/dbraw/zinc/38/60/52/948386052.db2.gz UREHECDZFYBKTE-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573704884 948386047 /nfs/dbraw/zinc/38/60/47/948386047.db2.gz UREHECDZFYBKTE-RYUDHWBXSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573704885 948384143 /nfs/dbraw/zinc/38/41/43/948384143.db2.gz UREHECDZFYBKTE-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573704885 948384134 /nfs/dbraw/zinc/38/41/34/948384134.db2.gz UREHECDZFYBKTE-VXGBXAGGSA-N -1 1 383.420 -0.016 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)n1cccn1 ZINC001573704979 948387345 /nfs/dbraw/zinc/38/73/45/948387345.db2.gz CGFFPZXYUDXADZ-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)n1cccn1 ZINC001573704981 948387907 /nfs/dbraw/zinc/38/79/07/948387907.db2.gz CGFFPZXYUDXADZ-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)n1cccn1 ZINC001573704984 948390122 /nfs/dbraw/zinc/39/01/22/948390122.db2.gz CGFFPZXYUDXADZ-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)n1cccn1 ZINC001573704986 948389053 /nfs/dbraw/zinc/38/90/53/948389053.db2.gz CGFFPZXYUDXADZ-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573705028 948388878 /nfs/dbraw/zinc/38/88/78/948388878.db2.gz CNAIDHQXUVEYKR-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573705030 948389593 /nfs/dbraw/zinc/38/95/93/948389593.db2.gz CNAIDHQXUVEYKR-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573705033 948388855 /nfs/dbraw/zinc/38/88/55/948388855.db2.gz CNAIDHQXUVEYKR-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573705055 948389653 /nfs/dbraw/zinc/38/96/53/948389653.db2.gz CNAIDHQXUVEYKR-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573705265 948395131 /nfs/dbraw/zinc/39/51/31/948395131.db2.gz GVTDFBKEQINMJO-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573705265 948395123 /nfs/dbraw/zinc/39/51/23/948395123.db2.gz GVTDFBKEQINMJO-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573705268 948396278 /nfs/dbraw/zinc/39/62/78/948396278.db2.gz GVTDFBKEQINMJO-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573705268 948396262 /nfs/dbraw/zinc/39/62/62/948396262.db2.gz GVTDFBKEQINMJO-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573705269 948395305 /nfs/dbraw/zinc/39/53/05/948395305.db2.gz GVTDFBKEQINMJO-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573705269 948395296 /nfs/dbraw/zinc/39/52/96/948395296.db2.gz GVTDFBKEQINMJO-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573705271 948396478 /nfs/dbraw/zinc/39/64/78/948396478.db2.gz GVTDFBKEQINMJO-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573705271 948396470 /nfs/dbraw/zinc/39/64/70/948396470.db2.gz GVTDFBKEQINMJO-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573705414 948399699 /nfs/dbraw/zinc/39/96/99/948399699.db2.gz HRJLIJPWRANZIN-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cncn1 ZINC001573705414 948399692 /nfs/dbraw/zinc/39/96/92/948399692.db2.gz HRJLIJPWRANZIN-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573705417 948400578 /nfs/dbraw/zinc/40/05/78/948400578.db2.gz HRJLIJPWRANZIN-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cncn1 ZINC001573705417 948400574 /nfs/dbraw/zinc/40/05/74/948400574.db2.gz HRJLIJPWRANZIN-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573705742 948407477 /nfs/dbraw/zinc/40/74/77/948407477.db2.gz YDEGSGPETMPOPO-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573705742 948407471 /nfs/dbraw/zinc/40/74/71/948407471.db2.gz YDEGSGPETMPOPO-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573705743 948408244 /nfs/dbraw/zinc/40/82/44/948408244.db2.gz YDEGSGPETMPOPO-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573705743 948408237 /nfs/dbraw/zinc/40/82/37/948408237.db2.gz YDEGSGPETMPOPO-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573705744 948408677 /nfs/dbraw/zinc/40/86/77/948408677.db2.gz YDEGSGPETMPOPO-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573705744 948408674 /nfs/dbraw/zinc/40/86/74/948408674.db2.gz YDEGSGPETMPOPO-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573705745 948408372 /nfs/dbraw/zinc/40/83/72/948408372.db2.gz YDEGSGPETMPOPO-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573705745 948408369 /nfs/dbraw/zinc/40/83/69/948408369.db2.gz YDEGSGPETMPOPO-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573706091 948412259 /nfs/dbraw/zinc/41/22/59/948412259.db2.gz JPGUWUBGOLWDFH-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573706091 948412255 /nfs/dbraw/zinc/41/22/55/948412255.db2.gz JPGUWUBGOLWDFH-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573706094 948411731 /nfs/dbraw/zinc/41/17/31/948411731.db2.gz JPGUWUBGOLWDFH-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573706094 948411725 /nfs/dbraw/zinc/41/17/25/948411725.db2.gz JPGUWUBGOLWDFH-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573706296 948414949 /nfs/dbraw/zinc/41/49/49/948414949.db2.gz IBZOFPNWDLKZAK-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573706296 948414944 /nfs/dbraw/zinc/41/49/44/948414944.db2.gz IBZOFPNWDLKZAK-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573706297 948415718 /nfs/dbraw/zinc/41/57/18/948415718.db2.gz IBZOFPNWDLKZAK-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573706297 948415713 /nfs/dbraw/zinc/41/57/13/948415713.db2.gz IBZOFPNWDLKZAK-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573706298 948415938 /nfs/dbraw/zinc/41/59/38/948415938.db2.gz IBZOFPNWDLKZAK-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573706298 948415932 /nfs/dbraw/zinc/41/59/32/948415932.db2.gz IBZOFPNWDLKZAK-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573706299 948415421 /nfs/dbraw/zinc/41/54/21/948415421.db2.gz IBZOFPNWDLKZAK-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573706299 948415417 /nfs/dbraw/zinc/41/54/17/948415417.db2.gz IBZOFPNWDLKZAK-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573706300 948416041 /nfs/dbraw/zinc/41/60/41/948416041.db2.gz ICEJUGGOTOPDEK-LLVKDONJSA-N -1 1 383.420 -0.370 20 0 GBADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573706301 948415157 /nfs/dbraw/zinc/41/51/57/948415157.db2.gz ICEJUGGOTOPDEK-NSHDSACASA-N -1 1 383.420 -0.370 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573707002 948428136 /nfs/dbraw/zinc/42/81/36/948428136.db2.gz MVGIOEDKRWCABA-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573707003 948428821 /nfs/dbraw/zinc/42/88/21/948428821.db2.gz MVGIOEDKRWCABA-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573707182 948429386 /nfs/dbraw/zinc/42/93/86/948429386.db2.gz MVPYOHPPAGGABU-SECBINFHSA-N -1 1 384.487 -0.091 20 0 GBADMM C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573707186 948429552 /nfs/dbraw/zinc/42/95/52/948429552.db2.gz MVPYOHPPAGGABU-VIFPVBQESA-N -1 1 384.487 -0.091 20 0 GBADMM C[C@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC001573707223 948429455 /nfs/dbraw/zinc/42/94/55/948429455.db2.gz NFRSCFXNYFGMHK-MXQLGCADSA-N -1 1 385.388 -0.722 20 0 GBADMM C[C@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)N1C(=O)CCC1=O ZINC001573707223 948429451 /nfs/dbraw/zinc/42/94/51/948429451.db2.gz NFRSCFXNYFGMHK-MXQLGCADSA-N -1 1 385.388 -0.722 20 0 GBADMM C[C@@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC001573707225 948429380 /nfs/dbraw/zinc/42/93/80/948429380.db2.gz NFRSCFXNYFGMHK-PBKGFPTLSA-N -1 1 385.388 -0.722 20 0 GBADMM C[C@@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)N1C(=O)CCC1=O ZINC001573707225 948429377 /nfs/dbraw/zinc/42/93/77/948429377.db2.gz NFRSCFXNYFGMHK-PBKGFPTLSA-N -1 1 385.388 -0.722 20 0 GBADMM C[C@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC001573707227 948430531 /nfs/dbraw/zinc/43/05/31/948430531.db2.gz NFRSCFXNYFGMHK-VMZHVLLKSA-N -1 1 385.388 -0.722 20 0 GBADMM C[C@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)N1C(=O)CCC1=O ZINC001573707227 948430527 /nfs/dbraw/zinc/43/05/27/948430527.db2.gz NFRSCFXNYFGMHK-VMZHVLLKSA-N -1 1 385.388 -0.722 20 0 GBADMM C[C@@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC001573707229 948429405 /nfs/dbraw/zinc/42/94/05/948429405.db2.gz NFRSCFXNYFGMHK-ZMWSMAPVSA-N -1 1 385.388 -0.722 20 0 GBADMM C[C@@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)N1C(=O)CCC1=O ZINC001573707229 948429402 /nfs/dbraw/zinc/42/94/02/948429402.db2.gz NFRSCFXNYFGMHK-ZMWSMAPVSA-N -1 1 385.388 -0.722 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)n1cccn1 ZINC001573707791 948438854 /nfs/dbraw/zinc/43/88/54/948438854.db2.gz PVIJILCDIVDHJC-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)n1cccn1 ZINC001573707791 948438846 /nfs/dbraw/zinc/43/88/46/948438846.db2.gz PVIJILCDIVDHJC-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)n1cccn1 ZINC001573707794 948438927 /nfs/dbraw/zinc/43/89/27/948438927.db2.gz PVIJILCDIVDHJC-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)n1cccn1 ZINC001573707794 948438916 /nfs/dbraw/zinc/43/89/16/948438916.db2.gz PVIJILCDIVDHJC-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)n1cccn1 ZINC001573707797 948439940 /nfs/dbraw/zinc/43/99/40/948439940.db2.gz PVIJILCDIVDHJC-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)n1cccn1 ZINC001573707797 948439938 /nfs/dbraw/zinc/43/99/38/948439938.db2.gz PVIJILCDIVDHJC-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)n1cccn1 ZINC001573707800 948439326 /nfs/dbraw/zinc/43/93/26/948439326.db2.gz PVIJILCDIVDHJC-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)n1cccn1 ZINC001573707800 948439319 /nfs/dbraw/zinc/43/93/19/948439319.db2.gz PVIJILCDIVDHJC-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573707836 948438996 /nfs/dbraw/zinc/43/89/96/948438996.db2.gz QTZCRMJJNYSIFL-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573707836 948438989 /nfs/dbraw/zinc/43/89/89/948438989.db2.gz QTZCRMJJNYSIFL-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573707839 948439564 /nfs/dbraw/zinc/43/95/64/948439564.db2.gz QTZCRMJJNYSIFL-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573707839 948439560 /nfs/dbraw/zinc/43/95/60/948439560.db2.gz QTZCRMJJNYSIFL-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573707903 948441671 /nfs/dbraw/zinc/44/16/71/948441671.db2.gz QZJLNLPKNJNRRB-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573707903 948441668 /nfs/dbraw/zinc/44/16/68/948441668.db2.gz QZJLNLPKNJNRRB-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573707906 948441790 /nfs/dbraw/zinc/44/17/90/948441790.db2.gz QZJLNLPKNJNRRB-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573707906 948441787 /nfs/dbraw/zinc/44/17/87/948441787.db2.gz QZJLNLPKNJNRRB-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573707907 948441830 /nfs/dbraw/zinc/44/18/30/948441830.db2.gz QZJLNLPKNJNRRB-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573707907 948441826 /nfs/dbraw/zinc/44/18/26/948441826.db2.gz QZJLNLPKNJNRRB-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573707910 948441710 /nfs/dbraw/zinc/44/17/10/948441710.db2.gz QZJLNLPKNJNRRB-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573707910 948441708 /nfs/dbraw/zinc/44/17/08/948441708.db2.gz QZJLNLPKNJNRRB-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573708218 948446084 /nfs/dbraw/zinc/44/60/84/948446084.db2.gz RYYRHPBUCVQSCF-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573708218 948446081 /nfs/dbraw/zinc/44/60/81/948446081.db2.gz RYYRHPBUCVQSCF-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573708220 948445885 /nfs/dbraw/zinc/44/58/85/948445885.db2.gz RYYRHPBUCVQSCF-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573708220 948445880 /nfs/dbraw/zinc/44/58/80/948445880.db2.gz RYYRHPBUCVQSCF-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573708222 948446407 /nfs/dbraw/zinc/44/64/07/948446407.db2.gz RYYRHPBUCVQSCF-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573708222 948446402 /nfs/dbraw/zinc/44/64/02/948446402.db2.gz RYYRHPBUCVQSCF-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573708224 948446882 /nfs/dbraw/zinc/44/68/82/948446882.db2.gz RYYRHPBUCVQSCF-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573708224 948446877 /nfs/dbraw/zinc/44/68/77/948446877.db2.gz RYYRHPBUCVQSCF-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573708265 948447227 /nfs/dbraw/zinc/44/72/27/948447227.db2.gz SKEBMKPCMQNWSB-NXEZZACHSA-N -1 1 388.413 -0.294 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573708266 948446363 /nfs/dbraw/zinc/44/63/63/948446363.db2.gz SKEBMKPCMQNWSB-UWVGGRQHSA-N -1 1 388.413 -0.294 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573708267 948446381 /nfs/dbraw/zinc/44/63/81/948446381.db2.gz SKEBMKPCMQNWSB-VHSXEESVSA-N -1 1 388.413 -0.294 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573708268 948446012 /nfs/dbraw/zinc/44/60/12/948446012.db2.gz SKEBMKPCMQNWSB-ZJUUUORDSA-N -1 1 388.413 -0.294 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573708340 948448353 /nfs/dbraw/zinc/44/83/53/948448353.db2.gz UHHBIMPFHWTWQO-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573708340 948448349 /nfs/dbraw/zinc/44/83/49/948448349.db2.gz UHHBIMPFHWTWQO-LLVKDONJSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573708342 948448683 /nfs/dbraw/zinc/44/86/83/948448683.db2.gz UHHBIMPFHWTWQO-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573708342 948448678 /nfs/dbraw/zinc/44/86/78/948448678.db2.gz UHHBIMPFHWTWQO-NSHDSACASA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573708343 948447911 /nfs/dbraw/zinc/44/79/11/948447911.db2.gz UGTXOELDXICXFG-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573708343 948447907 /nfs/dbraw/zinc/44/79/07/948447907.db2.gz UGTXOELDXICXFG-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573708347 948448389 /nfs/dbraw/zinc/44/83/89/948448389.db2.gz UGTXOELDXICXFG-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573708347 948448383 /nfs/dbraw/zinc/44/83/83/948448383.db2.gz UGTXOELDXICXFG-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573708349 948448341 /nfs/dbraw/zinc/44/83/41/948448341.db2.gz UGTXOELDXICXFG-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573708349 948448338 /nfs/dbraw/zinc/44/83/38/948448338.db2.gz UGTXOELDXICXFG-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573708350 948447673 /nfs/dbraw/zinc/44/76/73/948447673.db2.gz UGTXOELDXICXFG-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573708350 948447668 /nfs/dbraw/zinc/44/76/68/948447668.db2.gz UGTXOELDXICXFG-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)n1cccn1 ZINC001573708959 948463372 /nfs/dbraw/zinc/46/33/72/948463372.db2.gz ZUAXQIWNKKHNFO-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)n1cccn1 ZINC001573708959 948463368 /nfs/dbraw/zinc/46/33/68/948463368.db2.gz ZUAXQIWNKKHNFO-NEPJUHHUSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)n1cccn1 ZINC001573708960 948464005 /nfs/dbraw/zinc/46/40/05/948464005.db2.gz ZUAXQIWNKKHNFO-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)n1cccn1 ZINC001573708960 948463997 /nfs/dbraw/zinc/46/39/97/948463997.db2.gz ZUAXQIWNKKHNFO-NWDGAFQWSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)n1cccn1 ZINC001573708961 948464031 /nfs/dbraw/zinc/46/40/31/948464031.db2.gz ZUAXQIWNKKHNFO-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)n1cccn1 ZINC001573708961 948464022 /nfs/dbraw/zinc/46/40/22/948464022.db2.gz ZUAXQIWNKKHNFO-RYUDHWBXSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)n1cccn1 ZINC001573708962 948463592 /nfs/dbraw/zinc/46/35/92/948463592.db2.gz ZUAXQIWNKKHNFO-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)n1cccn1 ZINC001573708962 948463587 /nfs/dbraw/zinc/46/35/87/948463587.db2.gz ZUAXQIWNKKHNFO-VXGBXAGGSA-N -1 1 384.404 -0.564 20 0 GBADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573714305 948471393 /nfs/dbraw/zinc/47/13/93/948471393.db2.gz FMOQVJDLHIUCAM-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573714305 948471386 /nfs/dbraw/zinc/47/13/86/948471386.db2.gz FMOQVJDLHIUCAM-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573714306 948471524 /nfs/dbraw/zinc/47/15/24/948471524.db2.gz FMOQVJDLHIUCAM-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573714306 948471517 /nfs/dbraw/zinc/47/15/17/948471517.db2.gz FMOQVJDLHIUCAM-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573714307 948470901 /nfs/dbraw/zinc/47/09/01/948470901.db2.gz FMOQVJDLHIUCAM-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573714307 948470897 /nfs/dbraw/zinc/47/08/97/948470897.db2.gz FMOQVJDLHIUCAM-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573714308 948470949 /nfs/dbraw/zinc/47/09/49/948470949.db2.gz FMOQVJDLHIUCAM-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573714308 948470936 /nfs/dbraw/zinc/47/09/36/948470936.db2.gz FMOQVJDLHIUCAM-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573714888 948478858 /nfs/dbraw/zinc/47/88/58/948478858.db2.gz KMLDNIDDCMQPKV-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573714888 948478852 /nfs/dbraw/zinc/47/88/52/948478852.db2.gz KMLDNIDDCMQPKV-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573714890 948479171 /nfs/dbraw/zinc/47/91/71/948479171.db2.gz KMLDNIDDCMQPKV-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573714890 948479166 /nfs/dbraw/zinc/47/91/66/948479166.db2.gz KMLDNIDDCMQPKV-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573714892 948478171 /nfs/dbraw/zinc/47/81/71/948478171.db2.gz KMLDNIDDCMQPKV-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573714892 948478168 /nfs/dbraw/zinc/47/81/68/948478168.db2.gz KMLDNIDDCMQPKV-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573714894 948478152 /nfs/dbraw/zinc/47/81/52/948478152.db2.gz KMLDNIDDCMQPKV-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573714894 948478150 /nfs/dbraw/zinc/47/81/50/948478150.db2.gz KMLDNIDDCMQPKV-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573715312 948488599 /nfs/dbraw/zinc/48/85/99/948488599.db2.gz TVIDIDWTIXBDEZ-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573715312 948488593 /nfs/dbraw/zinc/48/85/93/948488593.db2.gz TVIDIDWTIXBDEZ-NEPJUHHUSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573715313 948488026 /nfs/dbraw/zinc/48/80/26/948488026.db2.gz TVIDIDWTIXBDEZ-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573715313 948488024 /nfs/dbraw/zinc/48/80/24/948488024.db2.gz TVIDIDWTIXBDEZ-NWDGAFQWSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573715314 948487661 /nfs/dbraw/zinc/48/76/61/948487661.db2.gz TVIDIDWTIXBDEZ-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573715314 948487655 /nfs/dbraw/zinc/48/76/55/948487655.db2.gz TVIDIDWTIXBDEZ-RYUDHWBXSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573715315 948487638 /nfs/dbraw/zinc/48/76/38/948487638.db2.gz TVIDIDWTIXBDEZ-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573715315 948487633 /nfs/dbraw/zinc/48/76/33/948487633.db2.gz TVIDIDWTIXBDEZ-VXGBXAGGSA-N -1 1 383.420 -0.158 20 0 GBADMM C[C@@H](C(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC001573715328 948487965 /nfs/dbraw/zinc/48/79/65/948487965.db2.gz UKUJRZKFDHTIOS-JTQLQIEISA-N -1 1 387.404 -0.863 20 0 GBADMM C[C@H](C(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC001573715329 948487823 /nfs/dbraw/zinc/48/78/23/948487823.db2.gz UKUJRZKFDHTIOS-SNVBAGLBSA-N -1 1 387.404 -0.863 20 0 GBADMM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1C[C@H]3COC[C@@]3(C(=O)[O-])C1)C2=O ZINC001573715878 959868633 /nfs/dbraw/zinc/86/86/33/959868633.db2.gz KGLMLXYMNVGOOF-DAXHEOSHSA-N -1 1 394.428 -0.449 20 0 GBADMM C[C@H](C(=O)NCCNc1cncc(-c2nn[n-]n2)n1)n1nnnc1C(C)(C)C ZINC001573716276 948498516 /nfs/dbraw/zinc/49/85/16/948498516.db2.gz FOJGOJXFSPIHPG-SECBINFHSA-N -1 1 386.424 -0.270 20 0 GBADMM C[C@H](C(=O)NCCNc1cncc(-c2nnn[n-]2)n1)n1nnnc1C(C)(C)C ZINC001573716276 948498505 /nfs/dbraw/zinc/49/85/05/948498505.db2.gz FOJGOJXFSPIHPG-SECBINFHSA-N -1 1 386.424 -0.270 20 0 GBADMM C[C@@H](C(=O)NCCNc1cncc(-c2nn[n-]n2)n1)n1nnnc1C(C)(C)C ZINC001573716277 948498405 /nfs/dbraw/zinc/49/84/05/948498405.db2.gz FOJGOJXFSPIHPG-VIFPVBQESA-N -1 1 386.424 -0.270 20 0 GBADMM C[C@@H](C(=O)NCCNc1cncc(-c2nnn[n-]2)n1)n1nnnc1C(C)(C)C ZINC001573716277 948498398 /nfs/dbraw/zinc/49/83/98/948498398.db2.gz FOJGOJXFSPIHPG-VIFPVBQESA-N -1 1 386.424 -0.270 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573717003 948504562 /nfs/dbraw/zinc/50/45/62/948504562.db2.gz ANAPIJVXQIJWIZ-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573717003 948504556 /nfs/dbraw/zinc/50/45/56/948504556.db2.gz ANAPIJVXQIJWIZ-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573717005 948505197 /nfs/dbraw/zinc/50/51/97/948505197.db2.gz ANAPIJVXQIJWIZ-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573717005 948505194 /nfs/dbraw/zinc/50/51/94/948505194.db2.gz ANAPIJVXQIJWIZ-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573717007 948504180 /nfs/dbraw/zinc/50/41/80/948504180.db2.gz ANAPIJVXQIJWIZ-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573717007 948504174 /nfs/dbraw/zinc/50/41/74/948504174.db2.gz ANAPIJVXQIJWIZ-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573717009 948504842 /nfs/dbraw/zinc/50/48/42/948504842.db2.gz ANAPIJVXQIJWIZ-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573717009 948504836 /nfs/dbraw/zinc/50/48/36/948504836.db2.gz ANAPIJVXQIJWIZ-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573717486 948508375 /nfs/dbraw/zinc/50/83/75/948508375.db2.gz CYLHRCZTAJZNQS-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573717486 948508371 /nfs/dbraw/zinc/50/83/71/948508371.db2.gz CYLHRCZTAJZNQS-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)S(C)(=O)=O ZINC001573717487 948508624 /nfs/dbraw/zinc/50/86/24/948508624.db2.gz CYLHRCZTAJZNQS-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)S(C)(=O)=O ZINC001573717487 948508618 /nfs/dbraw/zinc/50/86/18/948508618.db2.gz CYLHRCZTAJZNQS-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573718028 948514072 /nfs/dbraw/zinc/51/40/72/948514072.db2.gz GRPLOVGRXFDSDZ-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573718028 948514063 /nfs/dbraw/zinc/51/40/63/948514063.db2.gz GRPLOVGRXFDSDZ-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573718030 948513541 /nfs/dbraw/zinc/51/35/41/948513541.db2.gz GRPLOVGRXFDSDZ-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573718030 948513535 /nfs/dbraw/zinc/51/35/35/948513535.db2.gz GRPLOVGRXFDSDZ-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573718032 948514370 /nfs/dbraw/zinc/51/43/70/948514370.db2.gz GRPLOVGRXFDSDZ-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573718032 948514362 /nfs/dbraw/zinc/51/43/62/948514362.db2.gz GRPLOVGRXFDSDZ-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573718034 948513374 /nfs/dbraw/zinc/51/33/74/948513374.db2.gz GRPLOVGRXFDSDZ-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573718034 948513368 /nfs/dbraw/zinc/51/33/68/948513368.db2.gz GRPLOVGRXFDSDZ-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573718036 948513965 /nfs/dbraw/zinc/51/39/65/948513965.db2.gz GVAALVKCSQIZDU-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573718038 948513440 /nfs/dbraw/zinc/51/34/40/948513440.db2.gz GVAALVKCSQIZDU-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573718040 948514169 /nfs/dbraw/zinc/51/41/69/948514169.db2.gz GVAALVKCSQIZDU-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573718042 948513888 /nfs/dbraw/zinc/51/38/88/948513888.db2.gz GVAALVKCSQIZDU-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCc1nc2c(s1)COCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573719900 948528796 /nfs/dbraw/zinc/52/87/96/948528796.db2.gz YDBRQLMAXDAFTB-MRVPVSSYSA-N -1 1 375.418 -0.093 20 0 GBADMM C[C@@H](C(=O)NCCc1nc2c(s1)COCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573719903 948528684 /nfs/dbraw/zinc/52/86/84/948528684.db2.gz YDBRQLMAXDAFTB-QMMMGPOBSA-N -1 1 375.418 -0.093 20 0 GBADMM C[C@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573720289 948532689 /nfs/dbraw/zinc/53/26/89/948532689.db2.gz QJJQVFRCOUMXDR-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573720289 948532687 /nfs/dbraw/zinc/53/26/87/948532687.db2.gz QJJQVFRCOUMXDR-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573720291 948532824 /nfs/dbraw/zinc/53/28/24/948532824.db2.gz QJJQVFRCOUMXDR-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573720291 948532820 /nfs/dbraw/zinc/53/28/20/948532820.db2.gz QJJQVFRCOUMXDR-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573720684 948534877 /nfs/dbraw/zinc/53/48/77/948534877.db2.gz RNYPTOLZRNKOOH-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573720684 948534869 /nfs/dbraw/zinc/53/48/69/948534869.db2.gz RNYPTOLZRNKOOH-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573720685 948533832 /nfs/dbraw/zinc/53/38/32/948533832.db2.gz RNYPTOLZRNKOOH-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573720685 948533827 /nfs/dbraw/zinc/53/38/27/948533827.db2.gz RNYPTOLZRNKOOH-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573720721 948534453 /nfs/dbraw/zinc/53/44/53/948534453.db2.gz SHAYBEGLEYYGGC-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573720722 948534732 /nfs/dbraw/zinc/53/47/32/948534732.db2.gz SHAYBEGLEYYGGC-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573720729 948534659 /nfs/dbraw/zinc/53/46/59/948534659.db2.gz SJUBLVFKQYEFKY-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573720729 948534655 /nfs/dbraw/zinc/53/46/55/948534655.db2.gz SJUBLVFKQYEFKY-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573720730 948534425 /nfs/dbraw/zinc/53/44/25/948534425.db2.gz SJUBLVFKQYEFKY-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573720730 948534423 /nfs/dbraw/zinc/53/44/23/948534423.db2.gz SJUBLVFKQYEFKY-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573720731 948534523 /nfs/dbraw/zinc/53/45/23/948534523.db2.gz SJUBLVFKQYEFKY-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573720731 948534519 /nfs/dbraw/zinc/53/45/19/948534519.db2.gz SJUBLVFKQYEFKY-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573720732 948534354 /nfs/dbraw/zinc/53/43/54/948534354.db2.gz SJUBLVFKQYEFKY-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573720732 948534350 /nfs/dbraw/zinc/53/43/50/948534350.db2.gz SJUBLVFKQYEFKY-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573721005 948536084 /nfs/dbraw/zinc/53/60/84/948536084.db2.gz UQJZXQXVDKQOCS-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573721005 948536080 /nfs/dbraw/zinc/53/60/80/948536080.db2.gz UQJZXQXVDKQOCS-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573721006 948535836 /nfs/dbraw/zinc/53/58/36/948535836.db2.gz UQJZXQXVDKQOCS-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573721006 948535828 /nfs/dbraw/zinc/53/58/28/948535828.db2.gz UQJZXQXVDKQOCS-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573721007 948536450 /nfs/dbraw/zinc/53/64/50/948536450.db2.gz UQJZXQXVDKQOCS-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573721007 948536444 /nfs/dbraw/zinc/53/64/44/948536444.db2.gz UQJZXQXVDKQOCS-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573721008 948535467 /nfs/dbraw/zinc/53/54/67/948535467.db2.gz UQJZXQXVDKQOCS-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573721008 948535463 /nfs/dbraw/zinc/53/54/63/948535463.db2.gz UQJZXQXVDKQOCS-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573721637 948541727 /nfs/dbraw/zinc/54/17/27/948541727.db2.gz ZUAWAFPPSCZGOW-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573721637 948541724 /nfs/dbraw/zinc/54/17/24/948541724.db2.gz ZUAWAFPPSCZGOW-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)S(C)(=O)=O ZINC001573721639 948541857 /nfs/dbraw/zinc/54/18/57/948541857.db2.gz ZUAWAFPPSCZGOW-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)S(C)(=O)=O ZINC001573721639 948541853 /nfs/dbraw/zinc/54/18/53/948541853.db2.gz ZUAWAFPPSCZGOW-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCC(=O)N1 ZINC001573725589 948544344 /nfs/dbraw/zinc/54/43/44/948544344.db2.gz BXROUFLPIMHMTO-NNYUYHANSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCC(=O)N1 ZINC001573725589 948544334 /nfs/dbraw/zinc/54/43/34/948544334.db2.gz BXROUFLPIMHMTO-NNYUYHANSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCC(=O)N1 ZINC001573725590 948543464 /nfs/dbraw/zinc/54/34/64/948543464.db2.gz BXROUFLPIMHMTO-WISYIIOYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCC(=O)N1 ZINC001573725590 948543457 /nfs/dbraw/zinc/54/34/57/948543457.db2.gz BXROUFLPIMHMTO-WISYIIOYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725591 948543743 /nfs/dbraw/zinc/54/37/43/948543743.db2.gz BXROUFLPIMHMTO-WYUUTHIRSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725591 948543738 /nfs/dbraw/zinc/54/37/38/948543738.db2.gz BXROUFLPIMHMTO-WYUUTHIRSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725592 948543308 /nfs/dbraw/zinc/54/33/08/948543308.db2.gz BXROUFLPIMHMTO-YFKTTZPYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725592 948543302 /nfs/dbraw/zinc/54/33/02/948543302.db2.gz BXROUFLPIMHMTO-YFKTTZPYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cncn1 ZINC001573725939 948546057 /nfs/dbraw/zinc/54/60/57/948546057.db2.gz CZRZKAZSJCCQMH-GRYCIOLGSA-N -1 1 383.420 -0.302 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cncn1 ZINC001573725939 948546048 /nfs/dbraw/zinc/54/60/48/948546048.db2.gz CZRZKAZSJCCQMH-GRYCIOLGSA-N -1 1 383.420 -0.302 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cncn1 ZINC001573725940 948545831 /nfs/dbraw/zinc/54/58/31/948545831.db2.gz CZRZKAZSJCCQMH-IJLUTSLNSA-N -1 1 383.420 -0.302 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cncn1 ZINC001573725940 948545824 /nfs/dbraw/zinc/54/58/24/948545824.db2.gz CZRZKAZSJCCQMH-IJLUTSLNSA-N -1 1 383.420 -0.302 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573725971 948545652 /nfs/dbraw/zinc/54/56/52/948545652.db2.gz DVHBXDGQWRFGRN-NNYUYHANSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573725971 948545648 /nfs/dbraw/zinc/54/56/48/948545648.db2.gz DVHBXDGQWRFGRN-NNYUYHANSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573725972 948546685 /nfs/dbraw/zinc/54/66/85/948546685.db2.gz DVHBXDGQWRFGRN-WISYIIOYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573725972 948546680 /nfs/dbraw/zinc/54/66/80/948546680.db2.gz DVHBXDGQWRFGRN-WISYIIOYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725973 948545875 /nfs/dbraw/zinc/54/58/75/948545875.db2.gz DVHBXDGQWRFGRN-WYUUTHIRSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725973 948545867 /nfs/dbraw/zinc/54/58/67/948545867.db2.gz DVHBXDGQWRFGRN-WYUUTHIRSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725974 948545680 /nfs/dbraw/zinc/54/56/80/948545680.db2.gz DVHBXDGQWRFGRN-YFKTTZPYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725974 948545668 /nfs/dbraw/zinc/54/56/68/948545668.db2.gz DVHBXDGQWRFGRN-YFKTTZPYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573727186 948551592 /nfs/dbraw/zinc/55/15/92/948551592.db2.gz LDCXSVLABRNESZ-NNYUYHANSA-N -1 1 385.432 -0.700 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573727189 948551720 /nfs/dbraw/zinc/55/17/20/948551720.db2.gz LDCXSVLABRNESZ-WISYIIOYSA-N -1 1 385.432 -0.700 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573727191 948552392 /nfs/dbraw/zinc/55/23/92/948552392.db2.gz LDCXSVLABRNESZ-WYUUTHIRSA-N -1 1 385.432 -0.700 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573727193 948551975 /nfs/dbraw/zinc/55/19/75/948551975.db2.gz LDCXSVLABRNESZ-YFKTTZPYSA-N -1 1 385.432 -0.700 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573727427 948555702 /nfs/dbraw/zinc/55/57/02/948555702.db2.gz NNJOPTBYHLFEQP-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573727427 948555699 /nfs/dbraw/zinc/55/56/99/948555699.db2.gz NNJOPTBYHLFEQP-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCc1ncccc1S(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573727656 948555713 /nfs/dbraw/zinc/55/57/13/948555713.db2.gz BBOJKWJDEWNUNI-MRVPVSSYSA-N -1 1 377.390 -0.866 20 0 GBADMM C[C@@H](C(=O)NCc1ncccc1S(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573727657 948555421 /nfs/dbraw/zinc/55/54/21/948555421.db2.gz BBOJKWJDEWNUNI-QMMMGPOBSA-N -1 1 377.390 -0.866 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCC(=O)N1 ZINC001573727741 948557152 /nfs/dbraw/zinc/55/71/52/948557152.db2.gz BXROUFLPIMHMTO-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCC(=O)N1 ZINC001573727741 948557141 /nfs/dbraw/zinc/55/71/41/948557141.db2.gz BXROUFLPIMHMTO-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCC(=O)N1 ZINC001573727743 948556946 /nfs/dbraw/zinc/55/69/46/948556946.db2.gz BXROUFLPIMHMTO-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCC(=O)N1 ZINC001573727743 948556937 /nfs/dbraw/zinc/55/69/37/948556937.db2.gz BXROUFLPIMHMTO-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCC(=O)N1 ZINC001573727746 948556691 /nfs/dbraw/zinc/55/66/91/948556691.db2.gz BXROUFLPIMHMTO-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCC(=O)N1 ZINC001573727746 948556682 /nfs/dbraw/zinc/55/66/82/948556682.db2.gz BXROUFLPIMHMTO-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCC(=O)N1 ZINC001573727749 948557045 /nfs/dbraw/zinc/55/70/45/948557045.db2.gz BXROUFLPIMHMTO-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCC(=O)N1 ZINC001573727749 948557040 /nfs/dbraw/zinc/55/70/40/948557040.db2.gz BXROUFLPIMHMTO-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573727945 948557406 /nfs/dbraw/zinc/55/74/06/948557406.db2.gz NNJOPTBYHLFEQP-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573727945 948557402 /nfs/dbraw/zinc/55/74/02/948557402.db2.gz NNJOPTBYHLFEQP-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573727981 948556751 /nfs/dbraw/zinc/55/67/51/948556751.db2.gz OEBNLSNTWCHQNQ-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573727981 948556743 /nfs/dbraw/zinc/55/67/43/948556743.db2.gz OEBNLSNTWCHQNQ-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573727983 948558228 /nfs/dbraw/zinc/55/82/28/948558228.db2.gz OEBNLSNTWCHQNQ-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573727983 948558225 /nfs/dbraw/zinc/55/82/25/948558225.db2.gz OEBNLSNTWCHQNQ-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573728062 948560311 /nfs/dbraw/zinc/56/03/11/948560311.db2.gz OTBLTZFNSGZNEU-GRYCIOLGSA-N -1 1 383.420 -0.372 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573728065 948560122 /nfs/dbraw/zinc/56/01/22/948560122.db2.gz OTBLTZFNSGZNEU-SDDRHHMPSA-N -1 1 383.420 -0.372 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573728162 948559811 /nfs/dbraw/zinc/55/98/11/948559811.db2.gz PNEISFDBZYJJHJ-NNYUYHANSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573728162 948559806 /nfs/dbraw/zinc/55/98/06/948559806.db2.gz PNEISFDBZYJJHJ-NNYUYHANSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573728164 948559214 /nfs/dbraw/zinc/55/92/14/948559214.db2.gz PNEISFDBZYJJHJ-WISYIIOYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573728164 948559207 /nfs/dbraw/zinc/55/92/07/948559207.db2.gz PNEISFDBZYJJHJ-WISYIIOYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573728167 948559767 /nfs/dbraw/zinc/55/97/67/948559767.db2.gz PNEISFDBZYJJHJ-WYUUTHIRSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573728167 948559761 /nfs/dbraw/zinc/55/97/61/948559761.db2.gz PNEISFDBZYJJHJ-WYUUTHIRSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573728171 948560040 /nfs/dbraw/zinc/56/00/40/948560040.db2.gz PNEISFDBZYJJHJ-YFKTTZPYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573728171 948560034 /nfs/dbraw/zinc/56/00/34/948560034.db2.gz PNEISFDBZYJJHJ-YFKTTZPYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573728370 948561984 /nfs/dbraw/zinc/56/19/84/948561984.db2.gz DVHBXDGQWRFGRN-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573728370 948561976 /nfs/dbraw/zinc/56/19/76/948561976.db2.gz DVHBXDGQWRFGRN-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573728372 948562022 /nfs/dbraw/zinc/56/20/22/948562022.db2.gz DVHBXDGQWRFGRN-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573728372 948562016 /nfs/dbraw/zinc/56/20/16/948562016.db2.gz DVHBXDGQWRFGRN-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573728374 948562199 /nfs/dbraw/zinc/56/21/99/948562199.db2.gz DVHBXDGQWRFGRN-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573728374 948562194 /nfs/dbraw/zinc/56/21/94/948562194.db2.gz DVHBXDGQWRFGRN-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573728376 948561156 /nfs/dbraw/zinc/56/11/56/948561156.db2.gz DVHBXDGQWRFGRN-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573728376 948561150 /nfs/dbraw/zinc/56/11/50/948561150.db2.gz DVHBXDGQWRFGRN-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573729094 948566277 /nfs/dbraw/zinc/56/62/77/948566277.db2.gz GKJWLQCJNGILKV-GVXVVHGQSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573729095 948565535 /nfs/dbraw/zinc/56/55/35/948565535.db2.gz GKJWLQCJNGILKV-NQBHXWOUSA-N -1 1 382.432 -0.078 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573729466 948567485 /nfs/dbraw/zinc/56/74/85/948567485.db2.gz UBDRQADWWSYVEA-GMTAPVOTSA-N -1 1 394.461 -0.722 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573729466 948567478 /nfs/dbraw/zinc/56/74/78/948567478.db2.gz UBDRQADWWSYVEA-GMTAPVOTSA-N -1 1 394.461 -0.722 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573729468 948567541 /nfs/dbraw/zinc/56/75/41/948567541.db2.gz UBDRQADWWSYVEA-OUAUKWLOSA-N -1 1 394.461 -0.722 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573729468 948567532 /nfs/dbraw/zinc/56/75/32/948567532.db2.gz UBDRQADWWSYVEA-OUAUKWLOSA-N -1 1 394.461 -0.722 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573729485 948567355 /nfs/dbraw/zinc/56/73/55/948567355.db2.gz UEYKDCVHRYEYNH-NNYUYHANSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573729485 948567351 /nfs/dbraw/zinc/56/73/51/948567351.db2.gz UEYKDCVHRYEYNH-NNYUYHANSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573729487 948567158 /nfs/dbraw/zinc/56/71/58/948567158.db2.gz UEYKDCVHRYEYNH-WISYIIOYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573729487 948567152 /nfs/dbraw/zinc/56/71/52/948567152.db2.gz UEYKDCVHRYEYNH-WISYIIOYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573729489 948568057 /nfs/dbraw/zinc/56/80/57/948568057.db2.gz UEYKDCVHRYEYNH-WYUUTHIRSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573729489 948568054 /nfs/dbraw/zinc/56/80/54/948568054.db2.gz UEYKDCVHRYEYNH-WYUUTHIRSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573729490 948567640 /nfs/dbraw/zinc/56/76/40/948567640.db2.gz UEYKDCVHRYEYNH-YFKTTZPYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573729490 948567636 /nfs/dbraw/zinc/56/76/36/948567636.db2.gz UEYKDCVHRYEYNH-YFKTTZPYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NCc1nn(C)cc1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573729685 948569988 /nfs/dbraw/zinc/56/99/88/948569988.db2.gz IYTCQQMRIAPHKT-LURJTMIESA-N -1 1 381.198 -0.168 20 0 GBADMM C[C@H](C(=O)NCc1nn(C)cc1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573729686 948569006 /nfs/dbraw/zinc/56/90/06/948569006.db2.gz IYTCQQMRIAPHKT-ZCFIWIBFSA-N -1 1 381.198 -0.168 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573730117 948577466 /nfs/dbraw/zinc/57/74/66/948577466.db2.gz NNJOPTBYHLFEQP-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573730117 948577461 /nfs/dbraw/zinc/57/74/61/948577461.db2.gz NNJOPTBYHLFEQP-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573730118 948577773 /nfs/dbraw/zinc/57/77/73/948577773.db2.gz NNJOPTBYHLFEQP-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573730118 948577766 /nfs/dbraw/zinc/57/77/66/948577766.db2.gz NNJOPTBYHLFEQP-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cncn1 ZINC001573730124 948576996 /nfs/dbraw/zinc/57/69/96/948576996.db2.gz YEARHDPRIZNPHP-GRYCIOLGSA-N -1 1 383.420 -0.302 20 0 GBADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cncn1 ZINC001573730124 948576988 /nfs/dbraw/zinc/57/69/88/948576988.db2.gz YEARHDPRIZNPHP-GRYCIOLGSA-N -1 1 383.420 -0.302 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cncn1 ZINC001573730125 948577553 /nfs/dbraw/zinc/57/75/53/948577553.db2.gz YEARHDPRIZNPHP-IJLUTSLNSA-N -1 1 383.420 -0.302 20 0 GBADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cncn1 ZINC001573730125 948577547 /nfs/dbraw/zinc/57/75/47/948577547.db2.gz YEARHDPRIZNPHP-IJLUTSLNSA-N -1 1 383.420 -0.302 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573730324 948578871 /nfs/dbraw/zinc/57/88/71/948578871.db2.gz OEBNLSNTWCHQNQ-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573730324 948578862 /nfs/dbraw/zinc/57/88/62/948578862.db2.gz OEBNLSNTWCHQNQ-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573730325 948579422 /nfs/dbraw/zinc/57/94/22/948579422.db2.gz OEBNLSNTWCHQNQ-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573730325 948579419 /nfs/dbraw/zinc/57/94/19/948579419.db2.gz OEBNLSNTWCHQNQ-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NCc1ccc(S(C)(=O)=O)nc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730332 948579118 /nfs/dbraw/zinc/57/91/18/948579118.db2.gz OJAXYLGCVNCZSL-MRVPVSSYSA-N -1 1 377.390 -0.866 20 0 GBADMM C[C@@H](C(=O)NCc1ccc(S(C)(=O)=O)nc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730333 948579321 /nfs/dbraw/zinc/57/93/21/948579321.db2.gz OJAXYLGCVNCZSL-QMMMGPOBSA-N -1 1 377.390 -0.866 20 0 GBADMM C[C@@H](C(=O)NCc1ccc(N2CCNC2=O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730366 948580494 /nfs/dbraw/zinc/58/04/94/948580494.db2.gz PFSVIKRZVDGCPR-JTQLQIEISA-N -1 1 382.388 -0.135 20 0 GBADMM C[C@H](C(=O)NCc1ccc(N2CCNC2=O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730367 948581127 /nfs/dbraw/zinc/58/11/27/948581127.db2.gz PFSVIKRZVDGCPR-SNVBAGLBSA-N -1 1 382.388 -0.135 20 0 GBADMM C[C@H](C(=O)NCc1cc(S(C)(=O)=O)ccc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573730374 948580345 /nfs/dbraw/zinc/58/03/45/948580345.db2.gz PJNSLYNTCIBCRY-MRVPVSSYSA-N -1 1 394.392 -0.122 20 0 GBADMM C[C@@H](C(=O)NCc1cc(S(C)(=O)=O)ccc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573730375 948580866 /nfs/dbraw/zinc/58/08/66/948580866.db2.gz PJNSLYNTCIBCRY-QMMMGPOBSA-N -1 1 394.392 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573730388 948581303 /nfs/dbraw/zinc/58/13/03/948581303.db2.gz PNEISFDBZYJJHJ-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573730388 948581300 /nfs/dbraw/zinc/58/13/00/948581300.db2.gz PNEISFDBZYJJHJ-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573730389 948580375 /nfs/dbraw/zinc/58/03/75/948580375.db2.gz PNEISFDBZYJJHJ-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573730389 948580368 /nfs/dbraw/zinc/58/03/68/948580368.db2.gz PNEISFDBZYJJHJ-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573730390 948580945 /nfs/dbraw/zinc/58/09/45/948580945.db2.gz PNEISFDBZYJJHJ-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573730390 948580939 /nfs/dbraw/zinc/58/09/39/948580939.db2.gz PNEISFDBZYJJHJ-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573730391 948581138 /nfs/dbraw/zinc/58/11/38/948581138.db2.gz PNEISFDBZYJJHJ-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573730391 948581136 /nfs/dbraw/zinc/58/11/36/948581136.db2.gz PNEISFDBZYJJHJ-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573730915 948585925 /nfs/dbraw/zinc/58/59/25/948585925.db2.gz SIYAPXNSYZUTBV-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573730915 948585924 /nfs/dbraw/zinc/58/59/24/948585924.db2.gz SIYAPXNSYZUTBV-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573730916 948585778 /nfs/dbraw/zinc/58/57/78/948585778.db2.gz SIYAPXNSYZUTBV-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573730916 948585774 /nfs/dbraw/zinc/58/57/74/948585774.db2.gz SIYAPXNSYZUTBV-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)NCc1ncc(Br)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730919 948585855 /nfs/dbraw/zinc/58/58/55/948585855.db2.gz SJUMQEZWANKYAQ-LURJTMIESA-N -1 1 379.182 -0.112 20 0 GBADMM C[C@H](C(=O)NCc1ncc(Br)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730920 948585895 /nfs/dbraw/zinc/58/58/95/948585895.db2.gz SJUMQEZWANKYAQ-ZCFIWIBFSA-N -1 1 379.182 -0.112 20 0 GBADMM C[C@H](C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573731001 948587437 /nfs/dbraw/zinc/58/74/37/948587437.db2.gz VEBNVCWJKUYOOI-MRVPVSSYSA-N -1 1 388.392 -0.647 20 0 GBADMM C[C@H](C(=O)N[C@@H](C)C(=O)NCCc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573731131 948586955 /nfs/dbraw/zinc/58/69/55/948586955.db2.gz DHXCFFZQRIMWFL-NWDGAFQWSA-N -1 1 383.416 -0.117 20 0 GBADMM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)NCCc1ccccc1 ZINC001573731134 948587796 /nfs/dbraw/zinc/58/77/96/948587796.db2.gz DHXCFFZQRIMWFL-RYUDHWBXSA-N -1 1 383.416 -0.117 20 0 GBADMM C[C@@H](C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573731302 948589911 /nfs/dbraw/zinc/58/99/11/948589911.db2.gz VEBNVCWJKUYOOI-QMMMGPOBSA-N -1 1 388.392 -0.647 20 0 GBADMM C[C@H](C(=O)NCc1ccccc1S(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573731315 948589464 /nfs/dbraw/zinc/58/94/64/948589464.db2.gz VOAAPFOJESRBET-SECBINFHSA-N -1 1 376.402 -0.261 20 0 GBADMM C[C@@H](C(=O)NCc1ccccc1S(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573731316 948589442 /nfs/dbraw/zinc/58/94/42/948589442.db2.gz VOAAPFOJESRBET-VIFPVBQESA-N -1 1 376.402 -0.261 20 0 GBADMM C[C@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573732629 948606214 /nfs/dbraw/zinc/60/62/14/948606214.db2.gz SZMBUDAGRPWHAG-DTWKUNHWSA-N -1 1 387.370 -0.122 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573732630 948606303 /nfs/dbraw/zinc/60/63/03/948606303.db2.gz SZMBUDAGRPWHAG-IUCAKERBSA-N -1 1 387.370 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573736493 948616442 /nfs/dbraw/zinc/61/64/42/948616442.db2.gz YKJRDRBKZGJCHM-IJLUTSLNSA-N -1 1 383.420 -0.229 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573736494 948616304 /nfs/dbraw/zinc/61/63/04/948616304.db2.gz YKJRDRBKZGJCHM-QJPTWQEYSA-N -1 1 383.420 -0.229 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1cccnc1 ZINC001573739272 948619909 /nfs/dbraw/zinc/61/99/09/948619909.db2.gz CFRPYMCCNKEXFS-CYZMBNFOSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1cccnc1 ZINC001573739272 948619905 /nfs/dbraw/zinc/61/99/05/948619905.db2.gz CFRPYMCCNKEXFS-CYZMBNFOSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1cccnc1 ZINC001573739273 948619603 /nfs/dbraw/zinc/61/96/03/948619603.db2.gz CFRPYMCCNKEXFS-RAIGVLPGSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1cccnc1 ZINC001573739273 948619593 /nfs/dbraw/zinc/61/95/93/948619593.db2.gz CFRPYMCCNKEXFS-RAIGVLPGSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1cccnc1 ZINC001573739274 948619123 /nfs/dbraw/zinc/61/91/23/948619123.db2.gz CFRPYMCCNKEXFS-RTXFEEFZSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1cccnc1 ZINC001573739274 948619118 /nfs/dbraw/zinc/61/91/18/948619118.db2.gz CFRPYMCCNKEXFS-RTXFEEFZSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1cccnc1 ZINC001573739275 948619105 /nfs/dbraw/zinc/61/91/05/948619105.db2.gz CFRPYMCCNKEXFS-UHTWSYAYSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1cccnc1 ZINC001573739275 948619101 /nfs/dbraw/zinc/61/91/01/948619101.db2.gz CFRPYMCCNKEXFS-UHTWSYAYSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)NCCc1ccccc1 ZINC001573739505 948619468 /nfs/dbraw/zinc/61/94/68/948619468.db2.gz DHXCFFZQRIMWFL-NEPJUHHUSA-N -1 1 383.416 -0.117 20 0 GBADMM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)NCCc1ccccc1 ZINC001573739507 948619877 /nfs/dbraw/zinc/61/98/77/948619877.db2.gz DHXCFFZQRIMWFL-VXGBXAGGSA-N -1 1 383.416 -0.117 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573739553 948621414 /nfs/dbraw/zinc/62/14/14/948621414.db2.gz FJDMNLFJFGIHKL-BFLSOPEQSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573739553 948621408 /nfs/dbraw/zinc/62/14/08/948621408.db2.gz FJDMNLFJFGIHKL-BFLSOPEQSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573739554 948620949 /nfs/dbraw/zinc/62/09/49/948620949.db2.gz FJDMNLFJFGIHKL-XNDJQWLSSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573739554 948620946 /nfs/dbraw/zinc/62/09/46/948620946.db2.gz FJDMNLFJFGIHKL-XNDJQWLSSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573739563 948621027 /nfs/dbraw/zinc/62/10/27/948621027.db2.gz FQAJJOQGHNZDQV-BDAKNGLRSA-N -1 1 379.381 -0.314 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573739564 948621198 /nfs/dbraw/zinc/62/11/98/948621198.db2.gz FQAJJOQGHNZDQV-IUCAKERBSA-N -1 1 379.381 -0.314 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573739567 948621181 /nfs/dbraw/zinc/62/11/81/948621181.db2.gz FRDYHLWLIZRLGX-BFLSOPEQSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573739567 948621178 /nfs/dbraw/zinc/62/11/78/948621178.db2.gz FRDYHLWLIZRLGX-BFLSOPEQSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573739568 948620812 /nfs/dbraw/zinc/62/08/12/948620812.db2.gz FRDYHLWLIZRLGX-XNDJQWLSSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573739568 948620810 /nfs/dbraw/zinc/62/08/10/948620810.db2.gz FRDYHLWLIZRLGX-XNDJQWLSSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1cccnc1 ZINC001573739853 948623682 /nfs/dbraw/zinc/62/36/82/948623682.db2.gz CHNJVLHJSIBRNL-CYZMBNFOSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1cccnc1 ZINC001573739854 948624605 /nfs/dbraw/zinc/62/46/05/948624605.db2.gz CHNJVLHJSIBRNL-RAIGVLPGSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573739872 948626371 /nfs/dbraw/zinc/62/63/71/948626371.db2.gz HUKSYQLXYIJZFG-IQIPOGNMSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573739872 948626368 /nfs/dbraw/zinc/62/63/68/948626368.db2.gz HUKSYQLXYIJZFG-IQIPOGNMSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)S(C)(=O)=O ZINC001573739873 948626537 /nfs/dbraw/zinc/62/65/37/948626537.db2.gz HUKSYQLXYIJZFG-SPFNVWMYSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)S(C)(=O)=O ZINC001573739873 948626532 /nfs/dbraw/zinc/62/65/32/948626532.db2.gz HUKSYQLXYIJZFG-SPFNVWMYSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1cccnc1 ZINC001573740224 948631227 /nfs/dbraw/zinc/63/12/27/948631227.db2.gz LMNXCQXWVCPLNT-LERXQTSPSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1cccnc1 ZINC001573740224 948631221 /nfs/dbraw/zinc/63/12/21/948631221.db2.gz LMNXCQXWVCPLNT-LERXQTSPSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1cccnc1 ZINC001573740225 948630621 /nfs/dbraw/zinc/63/06/21/948630621.db2.gz LMNXCQXWVCPLNT-ZLKJLUDKSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1cccnc1 ZINC001573740225 948630617 /nfs/dbraw/zinc/63/06/17/948630617.db2.gz LMNXCQXWVCPLNT-ZLKJLUDKSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573740246 948630455 /nfs/dbraw/zinc/63/04/55/948630455.db2.gz MJQDKDNZQVNZMG-JHJVBQTASA-N -1 1 387.448 -0.221 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573740247 948630602 /nfs/dbraw/zinc/63/06/02/948630602.db2.gz MJQDKDNZQVNZMG-YNEHKIRRSA-N -1 1 387.448 -0.221 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)S(C)(=O)=O ZINC001573740329 948632486 /nfs/dbraw/zinc/63/24/86/948632486.db2.gz ILACUNXHSRSZHN-FXPVBKGRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)S(C)(=O)=O ZINC001573740329 948632482 /nfs/dbraw/zinc/63/24/82/948632482.db2.gz ILACUNXHSRSZHN-FXPVBKGRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)S(C)(=O)=O ZINC001573740330 948632570 /nfs/dbraw/zinc/63/25/70/948632570.db2.gz ILACUNXHSRSZHN-WCABBAIRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)S(C)(=O)=O ZINC001573740330 948632563 /nfs/dbraw/zinc/63/25/63/948632563.db2.gz ILACUNXHSRSZHN-WCABBAIRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573740389 948634775 /nfs/dbraw/zinc/63/47/75/948634775.db2.gz NQNYJBKGNCYDHB-WFFHOREQSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573740389 948634770 /nfs/dbraw/zinc/63/47/70/948634770.db2.gz NQNYJBKGNCYDHB-WFFHOREQSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573740390 948634876 /nfs/dbraw/zinc/63/48/76/948634876.db2.gz NQNYJBKGNCYDHB-YGNMPJRFSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573740390 948634869 /nfs/dbraw/zinc/63/48/69/948634869.db2.gz NQNYJBKGNCYDHB-YGNMPJRFSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573740453 948634697 /nfs/dbraw/zinc/63/46/97/948634697.db2.gz PNIIUEFTXONHQF-UZWSLXQKSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573740453 948634691 /nfs/dbraw/zinc/63/46/91/948634691.db2.gz PNIIUEFTXONHQF-UZWSLXQKSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573740454 948634853 /nfs/dbraw/zinc/63/48/53/948634853.db2.gz PNIIUEFTXONHQF-WGBDABJCSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573740454 948634848 /nfs/dbraw/zinc/63/48/48/948634848.db2.gz PNIIUEFTXONHQF-WGBDABJCSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cccnc1 ZINC001573740551 948637345 /nfs/dbraw/zinc/63/73/45/948637345.db2.gz LMNXCQXWVCPLNT-GDLCADMTSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1cccnc1 ZINC001573740551 948637337 /nfs/dbraw/zinc/63/73/37/948637337.db2.gz LMNXCQXWVCPLNT-GDLCADMTSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cccnc1 ZINC001573740552 948637864 /nfs/dbraw/zinc/63/78/64/948637864.db2.gz LMNXCQXWVCPLNT-HONMWMINSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1cccnc1 ZINC001573740552 948637862 /nfs/dbraw/zinc/63/78/62/948637862.db2.gz LMNXCQXWVCPLNT-HONMWMINSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1cccnc1 ZINC001573740773 948642259 /nfs/dbraw/zinc/64/22/59/948642259.db2.gz OXFYWERXKGPCGW-GDLCADMTSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1cccnc1 ZINC001573740773 948642254 /nfs/dbraw/zinc/64/22/54/948642254.db2.gz OXFYWERXKGPCGW-GDLCADMTSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1cccnc1 ZINC001573740774 948642244 /nfs/dbraw/zinc/64/22/44/948642244.db2.gz OXFYWERXKGPCGW-HONMWMINSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1cccnc1 ZINC001573740774 948642240 /nfs/dbraw/zinc/64/22/40/948642240.db2.gz OXFYWERXKGPCGW-HONMWMINSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573740852 948642870 /nfs/dbraw/zinc/64/28/70/948642870.db2.gz PLRNESJZDXKJJU-GDLCADMTSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573740852 948642867 /nfs/dbraw/zinc/64/28/67/948642867.db2.gz PLRNESJZDXKJJU-GDLCADMTSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573740854 948643904 /nfs/dbraw/zinc/64/39/04/948643904.db2.gz PLRNESJZDXKJJU-HONMWMINSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573740854 948643898 /nfs/dbraw/zinc/64/38/98/948643898.db2.gz PLRNESJZDXKJJU-HONMWMINSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccnc1 ZINC001573740856 948645252 /nfs/dbraw/zinc/64/52/52/948645252.db2.gz PLRNESJZDXKJJU-LERXQTSPSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccnc1 ZINC001573740856 948645247 /nfs/dbraw/zinc/64/52/47/948645247.db2.gz PLRNESJZDXKJJU-LERXQTSPSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573740857 948644792 /nfs/dbraw/zinc/64/47/92/948644792.db2.gz UJTLVHLSLYQKHS-DBIOUOCHSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccnc1 ZINC001573740858 948645403 /nfs/dbraw/zinc/64/54/03/948645403.db2.gz PLRNESJZDXKJJU-ZLKJLUDKSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccnc1 ZINC001573740858 948645397 /nfs/dbraw/zinc/64/53/97/948645397.db2.gz PLRNESJZDXKJJU-ZLKJLUDKSA-N -1 1 381.400 -0.479 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573740859 948645657 /nfs/dbraw/zinc/64/56/57/948645657.db2.gz UJTLVHLSLYQKHS-ZDCRXTMVSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573740865 948644606 /nfs/dbraw/zinc/64/46/06/948644606.db2.gz UMGJUWMBGORRBO-DBIOUOCHSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573740865 948644601 /nfs/dbraw/zinc/64/46/01/948644601.db2.gz UMGJUWMBGORRBO-DBIOUOCHSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573740867 948645615 /nfs/dbraw/zinc/64/56/15/948645615.db2.gz UMGJUWMBGORRBO-ZDCRXTMVSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573740867 948645609 /nfs/dbraw/zinc/64/56/09/948645609.db2.gz UMGJUWMBGORRBO-ZDCRXTMVSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573740882 948644969 /nfs/dbraw/zinc/64/49/69/948644969.db2.gz UROVCDHBBQAEHW-KKOKHZNYSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573740884 948644844 /nfs/dbraw/zinc/64/48/44/948644844.db2.gz UROVCDHBBQAEHW-QCNOEVLYSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573740900 948644762 /nfs/dbraw/zinc/64/47/62/948644762.db2.gz QJIXKFRIBIROOK-FXPVBKGRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573740900 948644760 /nfs/dbraw/zinc/64/47/60/948644760.db2.gz QJIXKFRIBIROOK-FXPVBKGRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573740902 948645304 /nfs/dbraw/zinc/64/53/04/948645304.db2.gz QJIXKFRIBIROOK-WCABBAIRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573740902 948645299 /nfs/dbraw/zinc/64/52/99/948645299.db2.gz QJIXKFRIBIROOK-WCABBAIRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001573741093 948649307 /nfs/dbraw/zinc/64/93/07/948649307.db2.gz XQTAPRBIMRWBEV-KKOKHZNYSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001573741093 948649296 /nfs/dbraw/zinc/64/92/96/948649296.db2.gz XQTAPRBIMRWBEV-KKOKHZNYSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001573741094 948648961 /nfs/dbraw/zinc/64/89/61/948648961.db2.gz XQTAPRBIMRWBEV-QCNOEVLYSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001573741094 948648955 /nfs/dbraw/zinc/64/89/55/948648955.db2.gz XQTAPRBIMRWBEV-QCNOEVLYSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)S(C)(=O)=O ZINC001573741104 948650632 /nfs/dbraw/zinc/65/06/32/948650632.db2.gz XTWMEXNSPOOYLV-FXPVBKGRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)S(C)(=O)=O ZINC001573741104 948650628 /nfs/dbraw/zinc/65/06/28/948650628.db2.gz XTWMEXNSPOOYLV-FXPVBKGRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)S(C)(=O)=O ZINC001573741106 948650268 /nfs/dbraw/zinc/65/02/68/948650268.db2.gz XTWMEXNSPOOYLV-WCABBAIRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)S(C)(=O)=O ZINC001573741106 948650259 /nfs/dbraw/zinc/65/02/59/948650259.db2.gz XTWMEXNSPOOYLV-WCABBAIRSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)S(C)(=O)=O ZINC001573741225 948653085 /nfs/dbraw/zinc/65/30/85/948653085.db2.gz ZQSGCDFEOPOKDB-KXUCPTDWSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001573741225 948653078 /nfs/dbraw/zinc/65/30/78/948653078.db2.gz ZQSGCDFEOPOKDB-KXUCPTDWSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)S(C)(=O)=O ZINC001573741226 948652463 /nfs/dbraw/zinc/65/24/63/948652463.db2.gz ZQSGCDFEOPOKDB-OPRDCNLKSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001573741226 948652458 /nfs/dbraw/zinc/65/24/58/948652458.db2.gz ZQSGCDFEOPOKDB-OPRDCNLKSA-N -1 1 380.434 -0.969 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573742906 948664087 /nfs/dbraw/zinc/66/40/87/948664087.db2.gz SZMBUDAGRPWHAG-BDAKNGLRSA-N -1 1 387.370 -0.122 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573742908 948664689 /nfs/dbraw/zinc/66/46/89/948664689.db2.gz SZMBUDAGRPWHAG-RKDXNWHRSA-N -1 1 387.370 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)N1C(=O)CCC1=O ZINC001573745035 948667672 /nfs/dbraw/zinc/66/76/72/948667672.db2.gz AEXRLUKUPWQDIE-MXWKQRLJSA-N -1 1 399.415 -0.722 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)N1C(=O)CCC1=O ZINC001573745035 948667668 /nfs/dbraw/zinc/66/76/68/948667668.db2.gz AEXRLUKUPWQDIE-MXWKQRLJSA-N -1 1 399.415 -0.722 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)N1C(=O)CCC1=O ZINC001573745039 948668304 /nfs/dbraw/zinc/66/83/04/948668304.db2.gz AEXRLUKUPWQDIE-VWYCJHECSA-N -1 1 399.415 -0.722 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)N1C(=O)CCC1=O ZINC001573745039 948668299 /nfs/dbraw/zinc/66/82/99/948668299.db2.gz AEXRLUKUPWQDIE-VWYCJHECSA-N -1 1 399.415 -0.722 20 0 GBADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573745124 948669785 /nfs/dbraw/zinc/66/97/85/948669785.db2.gz AZYGAMVNMGMNQG-IJLUTSLNSA-N -1 1 383.420 -0.229 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573745126 948668980 /nfs/dbraw/zinc/66/89/80/948668980.db2.gz AZYGAMVNMGMNQG-SRVKXCTJSA-N -1 1 383.420 -0.229 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573745562 948673197 /nfs/dbraw/zinc/67/31/97/948673197.db2.gz DVKDYWAUSARJRJ-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573745562 948673194 /nfs/dbraw/zinc/67/31/94/948673194.db2.gz DVKDYWAUSARJRJ-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573745564 948672978 /nfs/dbraw/zinc/67/29/78/948672978.db2.gz DVKDYWAUSARJRJ-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573745564 948672975 /nfs/dbraw/zinc/67/29/75/948672975.db2.gz DVKDYWAUSARJRJ-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573745570 948672507 /nfs/dbraw/zinc/67/25/07/948672507.db2.gz FQAJJOQGHNZDQV-DTWKUNHWSA-N -1 1 379.381 -0.314 20 0 GBADMM C[C@H](C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573745574 948673047 /nfs/dbraw/zinc/67/30/47/948673047.db2.gz FQAJJOQGHNZDQV-RKDXNWHRSA-N -1 1 379.381 -0.314 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)S(C)(=O)=O ZINC001573745744 948675398 /nfs/dbraw/zinc/67/53/98/948675398.db2.gz HRQMGDNKWVKIDH-BBBLOLIVSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)S(C)(=O)=O ZINC001573745744 948675393 /nfs/dbraw/zinc/67/53/93/948675393.db2.gz HRQMGDNKWVKIDH-BBBLOLIVSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)S(C)(=O)=O ZINC001573745745 948675111 /nfs/dbraw/zinc/67/51/11/948675111.db2.gz HRQMGDNKWVKIDH-UTLUCORTSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)S(C)(=O)=O ZINC001573745745 948675105 /nfs/dbraw/zinc/67/51/05/948675105.db2.gz HRQMGDNKWVKIDH-UTLUCORTSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573745941 948675080 /nfs/dbraw/zinc/67/50/80/948675080.db2.gz HDEDDJDNVPARFU-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573745941 948675075 /nfs/dbraw/zinc/67/50/75/948675075.db2.gz HDEDDJDNVPARFU-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573745943 948675366 /nfs/dbraw/zinc/67/53/66/948675366.db2.gz HDEDDJDNVPARFU-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573745943 948675360 /nfs/dbraw/zinc/67/53/60/948675360.db2.gz HDEDDJDNVPARFU-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)S(C)(=O)=O ZINC001573746100 948679546 /nfs/dbraw/zinc/67/95/46/948679546.db2.gz JODHUPXHSQLZGO-BBBLOLIVSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)S(C)(=O)=O ZINC001573746100 948679539 /nfs/dbraw/zinc/67/95/39/948679539.db2.gz JODHUPXHSQLZGO-BBBLOLIVSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)S(C)(=O)=O ZINC001573746102 948679665 /nfs/dbraw/zinc/67/96/65/948679665.db2.gz JODHUPXHSQLZGO-UTLUCORTSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)S(C)(=O)=O ZINC001573746102 948679661 /nfs/dbraw/zinc/67/96/61/948679661.db2.gz JODHUPXHSQLZGO-UTLUCORTSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)S(C)(=O)=O ZINC001573747428 948691256 /nfs/dbraw/zinc/69/12/56/948691256.db2.gz UPUNUTFNWIQYJI-BBBLOLIVSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)S(C)(=O)=O ZINC001573747430 948690884 /nfs/dbraw/zinc/69/08/84/948690884.db2.gz UPUNUTFNWIQYJI-UTLUCORTSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573747472 948691556 /nfs/dbraw/zinc/69/15/56/948691556.db2.gz PGAVDPUKSPRCPL-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573747472 948691552 /nfs/dbraw/zinc/69/15/52/948691552.db2.gz PGAVDPUKSPRCPL-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)S(C)(=O)=O ZINC001573747475 948691181 /nfs/dbraw/zinc/69/11/81/948691181.db2.gz VEROLFDPDZZEBU-BBBLOLIVSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)S(C)(=O)=O ZINC001573747475 948691171 /nfs/dbraw/zinc/69/11/71/948691171.db2.gz VEROLFDPDZZEBU-BBBLOLIVSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)S(C)(=O)=O ZINC001573747476 948691687 /nfs/dbraw/zinc/69/16/87/948691687.db2.gz VEROLFDPDZZEBU-UTLUCORTSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)S(C)(=O)=O ZINC001573747476 948691686 /nfs/dbraw/zinc/69/16/86/948691686.db2.gz VEROLFDPDZZEBU-UTLUCORTSA-N -1 1 380.434 -0.827 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573747821 948693110 /nfs/dbraw/zinc/69/31/10/948693110.db2.gz PGAVDPUKSPRCPL-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573747821 948693106 /nfs/dbraw/zinc/69/31/06/948693106.db2.gz PGAVDPUKSPRCPL-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573747826 948693134 /nfs/dbraw/zinc/69/31/34/948693134.db2.gz PGAVDPUKSPRCPL-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCC(=O)N1 ZINC001573747826 948693129 /nfs/dbraw/zinc/69/31/29/948693129.db2.gz PGAVDPUKSPRCPL-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573747831 948692504 /nfs/dbraw/zinc/69/25/04/948692504.db2.gz PGAVDPUKSPRCPL-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCC(=O)N1 ZINC001573747831 948692497 /nfs/dbraw/zinc/69/24/97/948692497.db2.gz PGAVDPUKSPRCPL-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573748062 948694762 /nfs/dbraw/zinc/69/47/62/948694762.db2.gz RFCWCTJQHYANHX-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573748062 948694756 /nfs/dbraw/zinc/69/47/56/948694756.db2.gz RFCWCTJQHYANHX-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573748064 948694447 /nfs/dbraw/zinc/69/44/47/948694447.db2.gz RFCWCTJQHYANHX-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573748064 948694442 /nfs/dbraw/zinc/69/44/42/948694442.db2.gz RFCWCTJQHYANHX-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573748066 948693873 /nfs/dbraw/zinc/69/38/73/948693873.db2.gz RFCWCTJQHYANHX-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573748066 948693867 /nfs/dbraw/zinc/69/38/67/948693867.db2.gz RFCWCTJQHYANHX-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573748068 948694150 /nfs/dbraw/zinc/69/41/50/948694150.db2.gz RFCWCTJQHYANHX-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573748068 948694144 /nfs/dbraw/zinc/69/41/44/948694144.db2.gz RFCWCTJQHYANHX-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573748080 948694133 /nfs/dbraw/zinc/69/41/33/948694133.db2.gz RNCAXRBEVXPSDW-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573748080 948694127 /nfs/dbraw/zinc/69/41/27/948694127.db2.gz RNCAXRBEVXPSDW-BJDJZHNGSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573748081 948694369 /nfs/dbraw/zinc/69/43/69/948694369.db2.gz RNCAXRBEVXPSDW-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573748081 948694365 /nfs/dbraw/zinc/69/43/65/948694365.db2.gz RNCAXRBEVXPSDW-DDHJBXDOSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573748082 948694166 /nfs/dbraw/zinc/69/41/66/948694166.db2.gz RNCAXRBEVXPSDW-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573748082 948694158 /nfs/dbraw/zinc/69/41/58/948694158.db2.gz RNCAXRBEVXPSDW-FIQHERPVSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573748083 948694324 /nfs/dbraw/zinc/69/43/24/948694324.db2.gz RNCAXRBEVXPSDW-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573748083 948694319 /nfs/dbraw/zinc/69/43/19/948694319.db2.gz RNCAXRBEVXPSDW-KKOKHZNYSA-N -1 1 385.432 -0.122 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573748827 948698419 /nfs/dbraw/zinc/69/84/19/948698419.db2.gz VHXFEVDMCPFPBN-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573748827 948698415 /nfs/dbraw/zinc/69/84/15/948698415.db2.gz VHXFEVDMCPFPBN-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573748829 948697455 /nfs/dbraw/zinc/69/74/55/948697455.db2.gz VHXFEVDMCPFPBN-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573748829 948697450 /nfs/dbraw/zinc/69/74/50/948697450.db2.gz VHXFEVDMCPFPBN-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573751835 948704786 /nfs/dbraw/zinc/70/47/86/948704786.db2.gz FJDMNLFJFGIHKL-SVDPJWKOSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573751835 948704782 /nfs/dbraw/zinc/70/47/82/948704782.db2.gz FJDMNLFJFGIHKL-SVDPJWKOSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573751836 948705813 /nfs/dbraw/zinc/70/58/13/948705813.db2.gz FJDMNLFJFGIHKL-WYFGTUCQSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573751836 948705809 /nfs/dbraw/zinc/70/58/09/948705809.db2.gz FJDMNLFJFGIHKL-WYFGTUCQSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573751841 948705828 /nfs/dbraw/zinc/70/58/28/948705828.db2.gz FRDYHLWLIZRLGX-SVDPJWKOSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573751841 948705823 /nfs/dbraw/zinc/70/58/23/948705823.db2.gz FRDYHLWLIZRLGX-SVDPJWKOSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573751842 948705247 /nfs/dbraw/zinc/70/52/47/948705247.db2.gz FRDYHLWLIZRLGX-WYFGTUCQSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573751842 948705232 /nfs/dbraw/zinc/70/52/32/948705232.db2.gz FRDYHLWLIZRLGX-WYFGTUCQSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573752242 948713158 /nfs/dbraw/zinc/71/31/58/948713158.db2.gz LTMXSVVTBODOCK-GPMNSPGJSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573752242 948713155 /nfs/dbraw/zinc/71/31/55/948713155.db2.gz LTMXSVVTBODOCK-GPMNSPGJSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573752244 948711782 /nfs/dbraw/zinc/71/17/82/948711782.db2.gz LTMXSVVTBODOCK-IOQXRXCXSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573752244 948711777 /nfs/dbraw/zinc/71/17/77/948711777.db2.gz LTMXSVVTBODOCK-IOQXRXCXSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573752247 948711888 /nfs/dbraw/zinc/71/18/88/948711888.db2.gz LTMXSVVTBODOCK-KVYUDQOQSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573752247 948711885 /nfs/dbraw/zinc/71/18/85/948711885.db2.gz LTMXSVVTBODOCK-KVYUDQOQSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573752250 948712138 /nfs/dbraw/zinc/71/21/38/948712138.db2.gz LTMXSVVTBODOCK-NDXHXBTESA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573752250 948712130 /nfs/dbraw/zinc/71/21/30/948712130.db2.gz LTMXSVVTBODOCK-NDXHXBTESA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cnn(C)c1 ZINC001573752356 948712730 /nfs/dbraw/zinc/71/27/30/948712730.db2.gz NDTPDPWHMMHSEE-APAOZMKASA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cnn(C)c1 ZINC001573752356 948712717 /nfs/dbraw/zinc/71/27/17/948712717.db2.gz NDTPDPWHMMHSEE-APAOZMKASA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cnn(C)c1 ZINC001573752357 948713149 /nfs/dbraw/zinc/71/31/49/948713149.db2.gz NDTPDPWHMMHSEE-NYMYIZQJSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cnn(C)c1 ZINC001573752357 948713147 /nfs/dbraw/zinc/71/31/47/948713147.db2.gz NDTPDPWHMMHSEE-NYMYIZQJSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573752656 948715166 /nfs/dbraw/zinc/71/51/66/948715166.db2.gz PNIIUEFTXONHQF-DCQANWLSSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573752656 948715161 /nfs/dbraw/zinc/71/51/61/948715161.db2.gz PNIIUEFTXONHQF-DCQANWLSSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573752659 948716326 /nfs/dbraw/zinc/71/63/26/948716326.db2.gz PNIIUEFTXONHQF-NOHGZBONSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573752659 948716320 /nfs/dbraw/zinc/71/63/20/948716320.db2.gz PNIIUEFTXONHQF-NOHGZBONSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573753418 948719703 /nfs/dbraw/zinc/71/97/03/948719703.db2.gz UMGJUWMBGORRBO-VLEAKVRGSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573753418 948719699 /nfs/dbraw/zinc/71/96/99/948719699.db2.gz UMGJUWMBGORRBO-VLEAKVRGSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573753419 948719547 /nfs/dbraw/zinc/71/95/47/948719547.db2.gz UMGJUWMBGORRBO-ZNSHCXBVSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573753419 948719541 /nfs/dbraw/zinc/71/95/41/948719541.db2.gz UMGJUWMBGORRBO-ZNSHCXBVSA-N -1 1 392.445 -0.684 20 0 GBADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573753422 948719811 /nfs/dbraw/zinc/71/98/11/948719811.db2.gz UROVCDHBBQAEHW-USZNOCQGSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573753423 948719867 /nfs/dbraw/zinc/71/98/67/948719867.db2.gz UROVCDHBBQAEHW-WYUUTHIRSA-N -1 1 381.404 -0.265 20 0 GBADMM C[C@H](C(=O)OC(C)(C)C)N(c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C1CC1 ZINC001573754167 948738687 /nfs/dbraw/zinc/73/86/87/948738687.db2.gz COCGCIUGRWEQSG-MRVPVSSYSA-N -1 1 377.405 -0.047 20 0 GBADMM C[C@@H](C(=O)OC(C)(C)C)N(c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C1CC1 ZINC001573754168 948739681 /nfs/dbraw/zinc/73/96/81/948739681.db2.gz COCGCIUGRWEQSG-QMMMGPOBSA-N -1 1 377.405 -0.047 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755117 948753379 /nfs/dbraw/zinc/75/33/79/948753379.db2.gz AORRVSJGCQYCTD-GPMNSPGJSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755117 948753368 /nfs/dbraw/zinc/75/33/68/948753368.db2.gz AORRVSJGCQYCTD-GPMNSPGJSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755118 948754781 /nfs/dbraw/zinc/75/47/81/948754781.db2.gz AORRVSJGCQYCTD-IOQXRXCXSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755118 948754771 /nfs/dbraw/zinc/75/47/71/948754771.db2.gz AORRVSJGCQYCTD-IOQXRXCXSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755119 948754348 /nfs/dbraw/zinc/75/43/48/948754348.db2.gz AORRVSJGCQYCTD-KVYUDQOQSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755119 948754340 /nfs/dbraw/zinc/75/43/40/948754340.db2.gz AORRVSJGCQYCTD-KVYUDQOQSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755120 948753037 /nfs/dbraw/zinc/75/30/37/948753037.db2.gz AORRVSJGCQYCTD-NDXHXBTESA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755120 948753032 /nfs/dbraw/zinc/75/30/32/948753032.db2.gz AORRVSJGCQYCTD-NDXHXBTESA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)Nc1ccccc1CNS(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573755553 948771751 /nfs/dbraw/zinc/77/17/51/948771751.db2.gz DZOMTOZCZIFOFW-SECBINFHSA-N -1 1 391.417 -0.293 20 0 GBADMM C[C@@H](C(=O)Nc1ccccc1CNS(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573755554 948772580 /nfs/dbraw/zinc/77/25/80/948772580.db2.gz DZOMTOZCZIFOFW-VIFPVBQESA-N -1 1 391.417 -0.293 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755619 948774756 /nfs/dbraw/zinc/77/47/56/948774756.db2.gz GSDXIVUROOZEHZ-GPMNSPGJSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755619 948774746 /nfs/dbraw/zinc/77/47/46/948774746.db2.gz GSDXIVUROOZEHZ-GPMNSPGJSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755620 948774911 /nfs/dbraw/zinc/77/49/11/948774911.db2.gz GSDXIVUROOZEHZ-IOQXRXCXSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755620 948774897 /nfs/dbraw/zinc/77/48/97/948774897.db2.gz GSDXIVUROOZEHZ-IOQXRXCXSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755621 948775078 /nfs/dbraw/zinc/77/50/78/948775078.db2.gz GSDXIVUROOZEHZ-KVYUDQOQSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755621 948775065 /nfs/dbraw/zinc/77/50/65/948775065.db2.gz GSDXIVUROOZEHZ-KVYUDQOQSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755622 948774446 /nfs/dbraw/zinc/77/44/46/948774446.db2.gz GSDXIVUROOZEHZ-NDXHXBTESA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755622 948774433 /nfs/dbraw/zinc/77/44/33/948774433.db2.gz GSDXIVUROOZEHZ-NDXHXBTESA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cnn(C)c1 ZINC001573755956 948789933 /nfs/dbraw/zinc/78/99/33/948789933.db2.gz JRPKASGNXFDSAT-PQFRYHKHSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cnn(C)c1 ZINC001573755957 948790260 /nfs/dbraw/zinc/79/02/60/948790260.db2.gz JRPKASGNXFDSAT-WUWHUORYSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573756075 948796692 /nfs/dbraw/zinc/79/66/92/948796692.db2.gz LVLUWTFTTRIFLF-BDAKNGLRSA-N -1 1 375.393 -0.720 20 0 GBADMM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573756075 948796684 /nfs/dbraw/zinc/79/66/84/948796684.db2.gz LVLUWTFTTRIFLF-BDAKNGLRSA-N -1 1 375.393 -0.720 20 0 GBADMM C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573756077 948796369 /nfs/dbraw/zinc/79/63/69/948796369.db2.gz LVLUWTFTTRIFLF-DTWKUNHWSA-N -1 1 375.393 -0.720 20 0 GBADMM C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573756077 948796361 /nfs/dbraw/zinc/79/63/61/948796361.db2.gz LVLUWTFTTRIFLF-DTWKUNHWSA-N -1 1 375.393 -0.720 20 0 GBADMM C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573756078 948798368 /nfs/dbraw/zinc/79/83/68/948798368.db2.gz LVLUWTFTTRIFLF-IUCAKERBSA-N -1 1 375.393 -0.720 20 0 GBADMM C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573756078 948798359 /nfs/dbraw/zinc/79/83/59/948798359.db2.gz LVLUWTFTTRIFLF-IUCAKERBSA-N -1 1 375.393 -0.720 20 0 GBADMM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573756080 948798566 /nfs/dbraw/zinc/79/85/66/948798566.db2.gz LVLUWTFTTRIFLF-RKDXNWHRSA-N -1 1 375.393 -0.720 20 0 GBADMM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573756080 948798555 /nfs/dbraw/zinc/79/85/55/948798555.db2.gz LVLUWTFTTRIFLF-RKDXNWHRSA-N -1 1 375.393 -0.720 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cnn(C)c1 ZINC001573756186 948801756 /nfs/dbraw/zinc/80/17/56/948801756.db2.gz NJHNRQVHJWNEGN-FTYKPCCVSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cnn(C)c1 ZINC001573756186 948801738 /nfs/dbraw/zinc/80/17/38/948801738.db2.gz NJHNRQVHJWNEGN-FTYKPCCVSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cnn(C)c1 ZINC001573756187 948800078 /nfs/dbraw/zinc/80/00/78/948800078.db2.gz NJHNRQVHJWNEGN-XEZLXBQYSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cnn(C)c1 ZINC001573756187 948800063 /nfs/dbraw/zinc/80/00/63/948800063.db2.gz NJHNRQVHJWNEGN-XEZLXBQYSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@H](C(=O)Nc1ccc(CN2CCOCC2)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756545 948820559 /nfs/dbraw/zinc/82/05/59/948820559.db2.gz SVWWWLHIJLFJEV-LLVKDONJSA-N -1 1 384.404 -0.115 20 0 GBADMM C[C@@H](C(=O)Nc1ccc(CN2CCOCC2)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756552 948818804 /nfs/dbraw/zinc/81/88/04/948818804.db2.gz SVWWWLHIJLFJEV-NSHDSACASA-N -1 1 384.404 -0.115 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573757008 948828329 /nfs/dbraw/zinc/82/83/29/948828329.db2.gz XICLJESFRVCWQM-GRZGAGJTSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573757010 948828684 /nfs/dbraw/zinc/82/86/84/948828684.db2.gz XICLJESFRVCWQM-PDNLZKNQSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573757013 948828282 /nfs/dbraw/zinc/82/82/82/948828282.db2.gz XICLJESFRVCWQM-QEGBUVANSA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573757015 948828919 /nfs/dbraw/zinc/82/89/19/948828919.db2.gz XICLJESFRVCWQM-WCCFOQQASA-N -1 1 383.416 -0.878 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cnn(C)c1 ZINC001573757152 948828820 /nfs/dbraw/zinc/82/88/20/948828820.db2.gz XOVODSQVKQNFKM-APAOZMKASA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cnn(C)c1 ZINC001573757152 948828794 /nfs/dbraw/zinc/82/87/94/948828794.db2.gz XOVODSQVKQNFKM-APAOZMKASA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cnn(C)c1 ZINC001573757153 948830802 /nfs/dbraw/zinc/83/08/02/948830802.db2.gz XOVODSQVKQNFKM-NYMYIZQJSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cnn(C)c1 ZINC001573757153 948830783 /nfs/dbraw/zinc/83/07/83/948830783.db2.gz XOVODSQVKQNFKM-NYMYIZQJSA-N -1 1 380.416 -0.255 20 0 GBADMM C[C@H](C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1)S(C)(=O)=O ZINC001573757229 948831885 /nfs/dbraw/zinc/83/18/85/948831885.db2.gz YWTGOOYQWRXTCK-SECBINFHSA-N -1 1 376.402 -0.122 20 0 GBADMM C[C@@H](C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1)S(C)(=O)=O ZINC001573757231 948832714 /nfs/dbraw/zinc/83/27/14/948832714.db2.gz YWTGOOYQWRXTCK-VIFPVBQESA-N -1 1 376.402 -0.122 20 0 GBADMM CC(C)(C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O)c1ccccc1 ZINC001573761105 948836060 /nfs/dbraw/zinc/83/60/60/948836060.db2.gz BNBKUJHCTYFXHG-UHFFFAOYSA-N -1 1 384.396 -0.271 20 0 GBADMM CC(C)(C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)c1nccs1 ZINC001573761528 948842883 /nfs/dbraw/zinc/84/28/83/948842883.db2.gz JGQUCLXIVJJLQV-UHFFFAOYSA-N -1 1 388.413 -0.053 20 0 GBADMM CC(C)(C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573762319 948856598 /nfs/dbraw/zinc/85/65/98/948856598.db2.gz SSQKDMVPLHOFEN-UHFFFAOYSA-N -1 1 388.354 -0.100 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573763937 948879696 /nfs/dbraw/zinc/87/96/96/948879696.db2.gz IWWAOKFKQJGDDW-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573763937 948879681 /nfs/dbraw/zinc/87/96/81/948879681.db2.gz IWWAOKFKQJGDDW-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573763938 948881499 /nfs/dbraw/zinc/88/14/99/948881499.db2.gz IWWAOKFKQJGDDW-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573763938 948881480 /nfs/dbraw/zinc/88/14/80/948881480.db2.gz IWWAOKFKQJGDDW-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573763954 948880249 /nfs/dbraw/zinc/88/02/49/948880249.db2.gz JHZFWYMAFUEFQZ-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573763954 948880233 /nfs/dbraw/zinc/88/02/33/948880233.db2.gz JHZFWYMAFUEFQZ-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573763956 948883134 /nfs/dbraw/zinc/88/31/34/948883134.db2.gz JHZFWYMAFUEFQZ-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573763956 948883118 /nfs/dbraw/zinc/88/31/18/948883118.db2.gz JHZFWYMAFUEFQZ-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573764016 948882942 /nfs/dbraw/zinc/88/29/42/948882942.db2.gz KFWZWTBIGPMBDI-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573764016 948882932 /nfs/dbraw/zinc/88/29/32/948882932.db2.gz KFWZWTBIGPMBDI-SECBINFHSA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573764018 948882457 /nfs/dbraw/zinc/88/24/57/948882457.db2.gz KFWZWTBIGPMBDI-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573764018 948882447 /nfs/dbraw/zinc/88/24/47/948882447.db2.gz KFWZWTBIGPMBDI-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)N1CCOCC1 ZINC001573764351 948891151 /nfs/dbraw/zinc/89/11/51/948891151.db2.gz NQRSKMYOBZOONY-GFCCVEGCSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)N1CCOCC1 ZINC001573764351 948891134 /nfs/dbraw/zinc/89/11/34/948891134.db2.gz NQRSKMYOBZOONY-GFCCVEGCSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)N1CCOCC1 ZINC001573764352 948891610 /nfs/dbraw/zinc/89/16/10/948891610.db2.gz NQRSKMYOBZOONY-LBPRGKRZSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)N1CCOCC1 ZINC001573764352 948891596 /nfs/dbraw/zinc/89/15/96/948891596.db2.gz NQRSKMYOBZOONY-LBPRGKRZSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001573764664 948894286 /nfs/dbraw/zinc/89/42/86/948894286.db2.gz PRXWCFKINYBUGM-GFCCVEGCSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)N1CCOCC1 ZINC001573764664 948894275 /nfs/dbraw/zinc/89/42/75/948894275.db2.gz PRXWCFKINYBUGM-GFCCVEGCSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001573764666 948892749 /nfs/dbraw/zinc/89/27/49/948892749.db2.gz PRXWCFKINYBUGM-LBPRGKRZSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)N1CCOCC1 ZINC001573764666 948892744 /nfs/dbraw/zinc/89/27/44/948892744.db2.gz PRXWCFKINYBUGM-LBPRGKRZSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573765407 948909082 /nfs/dbraw/zinc/90/90/82/948909082.db2.gz DBSVVHSRVKIXLX-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573765407 948909069 /nfs/dbraw/zinc/90/90/69/948909069.db2.gz DBSVVHSRVKIXLX-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)N1CCOCC1 ZINC001573765430 948910953 /nfs/dbraw/zinc/91/09/53/948910953.db2.gz FGXQKZKMRNXCCU-UHFFFAOYSA-N -1 1 387.448 -0.584 20 0 GBADMM CC(C)(C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573765440 948909845 /nfs/dbraw/zinc/90/98/45/948909845.db2.gz FZPBRMHBUPBLEH-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM CC(C)(C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)S(C)(=O)=O ZINC001573765440 948909832 /nfs/dbraw/zinc/90/98/32/948909832.db2.gz FZPBRMHBUPBLEH-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)N1CCOCC1 ZINC001573765472 948914006 /nfs/dbraw/zinc/91/40/06/948914006.db2.gz IOUOUIZEQKDDBI-UHFFFAOYSA-N -1 1 387.448 -0.584 20 0 GBADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)N1CCOCC1 ZINC001573765472 948913988 /nfs/dbraw/zinc/91/39/88/948913988.db2.gz IOUOUIZEQKDDBI-UHFFFAOYSA-N -1 1 387.448 -0.584 20 0 GBADMM CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC001573765482 948913855 /nfs/dbraw/zinc/91/38/55/948913855.db2.gz JSORLGCHNCTIGG-UHFFFAOYSA-N -1 1 380.434 -0.872 20 0 GBADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC001573765601 948916479 /nfs/dbraw/zinc/91/64/79/948916479.db2.gz RCQPFMTYUREHNM-UHFFFAOYSA-N -1 1 387.448 -0.584 20 0 GBADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC001573765601 948916463 /nfs/dbraw/zinc/91/64/63/948916463.db2.gz RCQPFMTYUREHNM-UHFFFAOYSA-N -1 1 387.448 -0.584 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573765846 948926465 /nfs/dbraw/zinc/92/64/65/948926465.db2.gz MZIXAAIMHKLWPD-GFCCVEGCSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573765846 948926452 /nfs/dbraw/zinc/92/64/52/948926452.db2.gz MZIXAAIMHKLWPD-GFCCVEGCSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)N1CCOCC1 ZINC001573765889 948925971 /nfs/dbraw/zinc/92/59/71/948925971.db2.gz PHWPASQLSPJCCU-LBPRGKRZSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)N1CCOCC1 ZINC001573765889 948925962 /nfs/dbraw/zinc/92/59/62/948925962.db2.gz PHWPASQLSPJCCU-LBPRGKRZSA-N -1 1 387.448 -0.220 20 0 GBADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573765896 948927830 /nfs/dbraw/zinc/92/78/30/948927830.db2.gz PNNFHNGXOSMZKD-UWVGGRQHSA-N -1 1 392.445 -0.731 20 0 GBADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573765896 948927811 /nfs/dbraw/zinc/92/78/11/948927811.db2.gz PNNFHNGXOSMZKD-UWVGGRQHSA-N -1 1 392.445 -0.731 20 0 GBADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573765917 948925779 /nfs/dbraw/zinc/92/57/79/948925779.db2.gz QNTCDZJFILNJOR-UWVGGRQHSA-N -1 1 392.445 -0.731 20 0 GBADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001573765917 948925766 /nfs/dbraw/zinc/92/57/66/948925766.db2.gz QNTCDZJFILNJOR-UWVGGRQHSA-N -1 1 392.445 -0.731 20 0 GBADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001573766046 948930452 /nfs/dbraw/zinc/93/04/52/948930452.db2.gz VPMKUULEMHXGRE-UWVGGRQHSA-N -1 1 392.445 -0.731 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573766060 948930573 /nfs/dbraw/zinc/93/05/73/948930573.db2.gz WWXSXJZKYLZILQ-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573766060 948930566 /nfs/dbraw/zinc/93/05/66/948930566.db2.gz WWXSXJZKYLZILQ-VIFPVBQESA-N -1 1 380.434 -0.507 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCO1 ZINC001573772339 948959501 /nfs/dbraw/zinc/95/95/01/948959501.db2.gz AIZACZBUVBINTL-NEPJUHHUSA-N -1 1 390.448 -0.437 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCO1 ZINC001573772340 948959699 /nfs/dbraw/zinc/95/96/99/948959699.db2.gz AIZACZBUVBINTL-NWDGAFQWSA-N -1 1 390.448 -0.437 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCO1 ZINC001573772341 948958296 /nfs/dbraw/zinc/95/82/96/948958296.db2.gz AIZACZBUVBINTL-RYUDHWBXSA-N -1 1 390.448 -0.437 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCO1 ZINC001573772342 948958056 /nfs/dbraw/zinc/95/80/56/948958056.db2.gz AIZACZBUVBINTL-VXGBXAGGSA-N -1 1 390.448 -0.437 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001573772431 948960780 /nfs/dbraw/zinc/96/07/80/948960780.db2.gz BVCFVOMBSGCPEU-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001573772433 948960572 /nfs/dbraw/zinc/96/05/72/948960572.db2.gz BVCFVOMBSGCPEU-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573773084 948974642 /nfs/dbraw/zinc/97/46/42/948974642.db2.gz GJRZNMDGUAJJMG-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573773084 948974628 /nfs/dbraw/zinc/97/46/28/948974628.db2.gz GJRZNMDGUAJJMG-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573773085 948972672 /nfs/dbraw/zinc/97/26/72/948972672.db2.gz GJRZNMDGUAJJMG-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573773085 948972654 /nfs/dbraw/zinc/97/26/54/948972654.db2.gz GJRZNMDGUAJJMG-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)N1CCOCC1 ZINC001573773124 948975322 /nfs/dbraw/zinc/97/53/22/948975322.db2.gz HNBLYPHLIOIILH-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)N1CCOCC1 ZINC001573773124 948975315 /nfs/dbraw/zinc/97/53/15/948975315.db2.gz HNBLYPHLIOIILH-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)N1CCOCC1 ZINC001573773125 948978047 /nfs/dbraw/zinc/97/80/47/948978047.db2.gz HNBLYPHLIOIILH-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)N1CCOCC1 ZINC001573773125 948978031 /nfs/dbraw/zinc/97/80/31/948978031.db2.gz HNBLYPHLIOIILH-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573773127 948976999 /nfs/dbraw/zinc/97/69/99/948976999.db2.gz HSOZOJGKOSZFFR-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573773127 948976991 /nfs/dbraw/zinc/97/69/91/948976991.db2.gz HSOZOJGKOSZFFR-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573773128 948977268 /nfs/dbraw/zinc/97/72/68/948977268.db2.gz HSOZOJGKOSZFFR-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573773128 948977258 /nfs/dbraw/zinc/97/72/58/948977258.db2.gz HSOZOJGKOSZFFR-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573773272 948975665 /nfs/dbraw/zinc/97/56/65/948975665.db2.gz IZFXNVDXBRYWBK-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573773272 948975647 /nfs/dbraw/zinc/97/56/47/948975647.db2.gz IZFXNVDXBRYWBK-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573773273 948976935 /nfs/dbraw/zinc/97/69/35/948976935.db2.gz IZFXNVDXBRYWBK-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573773273 948976926 /nfs/dbraw/zinc/97/69/26/948976926.db2.gz IZFXNVDXBRYWBK-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573773338 948979745 /nfs/dbraw/zinc/97/97/45/948979745.db2.gz LCWCKIHDYGZQRR-CYBMUJFWSA-N -1 1 382.428 -0.055 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573773340 948980912 /nfs/dbraw/zinc/98/09/12/948980912.db2.gz LCWCKIHDYGZQRR-ZDUSSCGKSA-N -1 1 382.428 -0.055 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001573773625 948989484 /nfs/dbraw/zinc/98/94/84/948989484.db2.gz NTYPEQGERYYMNM-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)N1CCOCC1 ZINC001573773625 948989478 /nfs/dbraw/zinc/98/94/78/948989478.db2.gz NTYPEQGERYYMNM-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001573773626 948989314 /nfs/dbraw/zinc/98/93/14/948989314.db2.gz NTYPEQGERYYMNM-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)N1CCOCC1 ZINC001573773626 948989307 /nfs/dbraw/zinc/98/93/07/948989307.db2.gz NTYPEQGERYYMNM-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573773664 948989297 /nfs/dbraw/zinc/98/92/97/948989297.db2.gz CTKPXXBBSOATAR-UHFFFAOYSA-N -1 1 380.434 -0.459 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573773664 948989291 /nfs/dbraw/zinc/98/92/91/948989291.db2.gz CTKPXXBBSOATAR-UHFFFAOYSA-N -1 1 380.434 -0.459 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)N1CCOCC1 ZINC001573773688 948988761 /nfs/dbraw/zinc/98/87/61/948988761.db2.gz DONDTTAXLLUXCJ-UHFFFAOYSA-N -1 1 387.448 -0.172 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)N1CCOCC1 ZINC001573773688 948988744 /nfs/dbraw/zinc/98/87/44/948988744.db2.gz DONDTTAXLLUXCJ-UHFFFAOYSA-N -1 1 387.448 -0.172 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573773689 948990557 /nfs/dbraw/zinc/99/05/57/948990557.db2.gz DPWJUXMUPUDPAB-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573773689 948990546 /nfs/dbraw/zinc/99/05/46/948990546.db2.gz DPWJUXMUPUDPAB-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573773690 948990762 /nfs/dbraw/zinc/99/07/62/948990762.db2.gz DPWJUXMUPUDPAB-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573773690 948990749 /nfs/dbraw/zinc/99/07/49/948990749.db2.gz DPWJUXMUPUDPAB-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)S(C)(=O)=O ZINC001573773706 948992466 /nfs/dbraw/zinc/99/24/66/948992466.db2.gz FAVDQGVYLGOLKG-UHFFFAOYSA-N -1 1 380.434 -0.459 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)S(C)(=O)=O ZINC001573773706 948992455 /nfs/dbraw/zinc/99/24/55/948992455.db2.gz FAVDQGVYLGOLKG-UHFFFAOYSA-N -1 1 380.434 -0.459 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)N1CCOCC1 ZINC001573773988 948996791 /nfs/dbraw/zinc/99/67/91/948996791.db2.gz HMLQIECVKWMGJS-UHFFFAOYSA-N -1 1 387.448 -0.750 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001573773992 948997944 /nfs/dbraw/zinc/99/79/44/948997944.db2.gz HRIFGKOIVIHIPA-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001573773992 948997939 /nfs/dbraw/zinc/99/79/39/948997939.db2.gz HRIFGKOIVIHIPA-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001573773993 948997421 /nfs/dbraw/zinc/99/74/21/948997421.db2.gz HRIFGKOIVIHIPA-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001573773993 948997402 /nfs/dbraw/zinc/99/74/02/948997402.db2.gz HRIFGKOIVIHIPA-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573774007 948997253 /nfs/dbraw/zinc/99/72/53/948997253.db2.gz HWYHRIWXRIWTQQ-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573774007 948997244 /nfs/dbraw/zinc/99/72/44/948997244.db2.gz HWYHRIWXRIWTQQ-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573774008 948996526 /nfs/dbraw/zinc/99/65/26/948996526.db2.gz HWYHRIWXRIWTQQ-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573774008 948996516 /nfs/dbraw/zinc/99/65/16/948996516.db2.gz HWYHRIWXRIWTQQ-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573774101 949000551 /nfs/dbraw/zinc/00/05/51/949000551.db2.gz KGFCWCWNDAEZIN-GFCCVEGCSA-N -1 1 383.416 -0.660 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573774103 948999353 /nfs/dbraw/zinc/99/93/53/948999353.db2.gz KGFCWCWNDAEZIN-LBPRGKRZSA-N -1 1 383.416 -0.660 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573774156 949004921 /nfs/dbraw/zinc/00/49/21/949004921.db2.gz ROVBUJTUPHEVPF-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573774156 949004846 /nfs/dbraw/zinc/00/48/46/949004846.db2.gz ROVBUJTUPHEVPF-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573774157 949003765 /nfs/dbraw/zinc/00/37/65/949003765.db2.gz ROVBUJTUPHEVPF-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573774157 949003752 /nfs/dbraw/zinc/00/37/52/949003752.db2.gz ROVBUJTUPHEVPF-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCO1 ZINC001573774258 949002234 /nfs/dbraw/zinc/00/22/34/949002234.db2.gz KYWPNVDQXXDYNV-NEPJUHHUSA-N -1 1 390.448 -0.437 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCO1 ZINC001573774259 949005656 /nfs/dbraw/zinc/00/56/56/949005656.db2.gz KYWPNVDQXXDYNV-NWDGAFQWSA-N -1 1 390.448 -0.437 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCO1 ZINC001573774260 949002458 /nfs/dbraw/zinc/00/24/58/949002458.db2.gz KYWPNVDQXXDYNV-RYUDHWBXSA-N -1 1 390.448 -0.437 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCO1 ZINC001573774261 949002964 /nfs/dbraw/zinc/00/29/64/949002964.db2.gz KYWPNVDQXXDYNV-VXGBXAGGSA-N -1 1 390.448 -0.437 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001573774286 949005561 /nfs/dbraw/zinc/00/55/61/949005561.db2.gz LWTQLOIDLQJXSU-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001573774286 949005542 /nfs/dbraw/zinc/00/55/42/949005542.db2.gz LWTQLOIDLQJXSU-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001573774287 949001743 /nfs/dbraw/zinc/00/17/43/949001743.db2.gz LWTQLOIDLQJXSU-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001573774287 949001735 /nfs/dbraw/zinc/00/17/35/949001735.db2.gz LWTQLOIDLQJXSU-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001573774370 949008240 /nfs/dbraw/zinc/00/82/40/949008240.db2.gz NHWMAPMLRBIRRC-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001573774370 949008224 /nfs/dbraw/zinc/00/82/24/949008224.db2.gz NHWMAPMLRBIRRC-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001573774373 949009491 /nfs/dbraw/zinc/00/94/91/949009491.db2.gz NHWMAPMLRBIRRC-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001573774373 949009475 /nfs/dbraw/zinc/00/94/75/949009475.db2.gz NHWMAPMLRBIRRC-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573774399 949008431 /nfs/dbraw/zinc/00/84/31/949008431.db2.gz NTRSKIVAUWVPFC-CYBMUJFWSA-N -1 1 382.428 -0.055 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573774400 949008961 /nfs/dbraw/zinc/00/89/61/949008961.db2.gz NTRSKIVAUWVPFC-ZDUSSCGKSA-N -1 1 382.428 -0.055 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573774526 949012512 /nfs/dbraw/zinc/01/25/12/949012512.db2.gz UIKIHNWASCALBB-GFCCVEGCSA-N -1 1 383.416 -0.660 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573774527 949010828 /nfs/dbraw/zinc/01/08/28/949010828.db2.gz UIKIHNWASCALBB-LBPRGKRZSA-N -1 1 383.416 -0.660 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)N1CCOCC1 ZINC001573774612 949018558 /nfs/dbraw/zinc/01/85/58/949018558.db2.gz PAVOONDUSBQJSM-UHFFFAOYSA-N -1 1 387.448 -0.172 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)N1CCOCC1 ZINC001573774612 949018544 /nfs/dbraw/zinc/01/85/44/949018544.db2.gz PAVOONDUSBQJSM-UHFFFAOYSA-N -1 1 387.448 -0.172 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001573774694 949022312 /nfs/dbraw/zinc/02/23/12/949022312.db2.gz QGWAGLJPJAWXDH-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001573774694 949022291 /nfs/dbraw/zinc/02/22/91/949022291.db2.gz QGWAGLJPJAWXDH-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001573774696 949022532 /nfs/dbraw/zinc/02/25/32/949022532.db2.gz QGWAGLJPJAWXDH-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001573774696 949022515 /nfs/dbraw/zinc/02/25/15/949022515.db2.gz QGWAGLJPJAWXDH-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573774789 949023479 /nfs/dbraw/zinc/02/34/79/949023479.db2.gz WBPRGKXZSWDSDC-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573774790 949022619 /nfs/dbraw/zinc/02/26/19/949022619.db2.gz WBPRGKXZSWDSDC-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573774872 949022695 /nfs/dbraw/zinc/02/26/95/949022695.db2.gz XTDOPJVJCZAODL-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573774872 949022676 /nfs/dbraw/zinc/02/26/76/949022676.db2.gz XTDOPJVJCZAODL-SECBINFHSA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573774873 949020917 /nfs/dbraw/zinc/02/09/17/949020917.db2.gz XTDOPJVJCZAODL-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573774873 949020896 /nfs/dbraw/zinc/02/08/96/949020896.db2.gz XTDOPJVJCZAODL-VIFPVBQESA-N -1 1 380.434 -0.825 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573774906 949027852 /nfs/dbraw/zinc/02/78/52/949027852.db2.gz YGYJEOLRPBESIY-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573774906 949027831 /nfs/dbraw/zinc/02/78/31/949027831.db2.gz YGYJEOLRPBESIY-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573774908 949025803 /nfs/dbraw/zinc/02/58/03/949025803.db2.gz YGYJEOLRPBESIY-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573774908 949025783 /nfs/dbraw/zinc/02/57/83/949025783.db2.gz YGYJEOLRPBESIY-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573775304 949038722 /nfs/dbraw/zinc/03/87/22/949038722.db2.gz WCIAYDGYLRYYNF-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573775304 949038701 /nfs/dbraw/zinc/03/87/01/949038701.db2.gz WCIAYDGYLRYYNF-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573775305 949039023 /nfs/dbraw/zinc/03/90/23/949039023.db2.gz WCIAYDGYLRYYNF-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573775305 949039006 /nfs/dbraw/zinc/03/90/06/949039006.db2.gz WCIAYDGYLRYYNF-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573775319 949038287 /nfs/dbraw/zinc/03/82/87/949038287.db2.gz WIHKYSQGPAFAIJ-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573775319 949038267 /nfs/dbraw/zinc/03/82/67/949038267.db2.gz WIHKYSQGPAFAIJ-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573775321 949041680 /nfs/dbraw/zinc/04/16/80/949041680.db2.gz WIHKYSQGPAFAIJ-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573775321 949041658 /nfs/dbraw/zinc/04/16/58/949041658.db2.gz WIHKYSQGPAFAIJ-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573775454 949040169 /nfs/dbraw/zinc/04/01/69/949040169.db2.gz WWZQZPVGAYJRBS-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573775454 949040148 /nfs/dbraw/zinc/04/01/48/949040148.db2.gz WWZQZPVGAYJRBS-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573775455 949039764 /nfs/dbraw/zinc/03/97/64/949039764.db2.gz WWZQZPVGAYJRBS-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573775455 949039742 /nfs/dbraw/zinc/03/97/42/949039742.db2.gz WWZQZPVGAYJRBS-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573775504 949044938 /nfs/dbraw/zinc/04/49/38/949044938.db2.gz XYHUMYUQPSTWEO-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573775504 949044916 /nfs/dbraw/zinc/04/49/16/949044916.db2.gz XYHUMYUQPSTWEO-GFCCVEGCSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573775505 949042917 /nfs/dbraw/zinc/04/29/17/949042917.db2.gz XYHUMYUQPSTWEO-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573775505 949042898 /nfs/dbraw/zinc/04/28/98/949042898.db2.gz XYHUMYUQPSTWEO-LBPRGKRZSA-N -1 1 383.416 -0.082 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001573775521 949043033 /nfs/dbraw/zinc/04/30/33/949043033.db2.gz YOOJMPNHXIIWHV-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001573775521 949043014 /nfs/dbraw/zinc/04/30/14/949043014.db2.gz YOOJMPNHXIIWHV-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001573775523 949044995 /nfs/dbraw/zinc/04/49/95/949044995.db2.gz YOOJMPNHXIIWHV-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001573775523 949044976 /nfs/dbraw/zinc/04/49/76/949044976.db2.gz YOOJMPNHXIIWHV-LBPRGKRZSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001573775543 949046906 /nfs/dbraw/zinc/04/69/06/949046906.db2.gz YSZWMFDMKSYNFT-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001573775543 949046886 /nfs/dbraw/zinc/04/68/86/949046886.db2.gz YSZWMFDMKSYNFT-GFCCVEGCSA-N -1 1 390.448 -0.002 20 0 GBADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001573775544 949046779 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949088232 /nfs/dbraw/zinc/08/82/32/949088232.db2.gz WWZVBMROBPGIGK-UHFFFAOYSA-N -1 1 387.448 -0.172 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC001573780387 949096439 /nfs/dbraw/zinc/09/64/39/949096439.db2.gz XUJQAKJQUOVBLF-UHFFFAOYSA-N -1 1 387.448 -0.172 20 0 GBADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC001573780387 949096420 /nfs/dbraw/zinc/09/64/20/949096420.db2.gz XUJQAKJQUOVBLF-UHFFFAOYSA-N -1 1 387.448 -0.172 20 0 GBADMM CC(C)(C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCC(O)CC1 ZINC001573781410 949103362 /nfs/dbraw/zinc/10/33/62/949103362.db2.gz GAOOGOGPKGXANC-UHFFFAOYSA-N -1 1 391.432 -0.178 20 0 GBADMM CC(C)(C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCOCC1 ZINC001573781624 949111834 /nfs/dbraw/zinc/11/18/34/949111834.db2.gz LDEWPAXNPAGACW-UHFFFAOYSA-N -1 1 377.405 -0.302 20 0 GBADMM CC(C)(C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCCCO1 ZINC001573781688 949111672 /nfs/dbraw/zinc/11/16/72/949111672.db2.gz MEOWGYRMKCQEPW-LLVKDONJSA-N -1 1 377.405 -0.160 20 0 GBADMM CC(C)(C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCCCO1 ZINC001573781692 949111042 /nfs/dbraw/zinc/11/10/42/949111042.db2.gz MEOWGYRMKCQEPW-NSHDSACASA-N -1 1 377.405 -0.160 20 0 GBADMM CC(C)(C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1)N1CCOCC1 ZINC001573782038 949115892 /nfs/dbraw/zinc/11/58/92/949115892.db2.gz PBAVAERWCWUQCM-UHFFFAOYSA-N -1 1 375.437 -0.314 20 0 GBADMM CC(C)(C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1)N1CCOCC1 ZINC001573782038 949115881 /nfs/dbraw/zinc/11/58/81/949115881.db2.gz PBAVAERWCWUQCM-UHFFFAOYSA-N -1 1 375.437 -0.314 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)N1CCOCC1 ZINC001573783207 949146183 /nfs/dbraw/zinc/14/61/83/949146183.db2.gz YBWZZNJOERCKLA-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)N1CCOCC1 ZINC001573783207 949146164 /nfs/dbraw/zinc/14/61/64/949146164.db2.gz YBWZZNJOERCKLA-GFCCVEGCSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1c[nH]cn1 ZINC001573786773 949146984 /nfs/dbraw/zinc/14/69/84/949146984.db2.gz ADWZTGDRFAIVBX-IAZYJMLFSA-N -1 1 380.416 -0.092 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573786846 949151181 /nfs/dbraw/zinc/15/11/81/949151181.db2.gz FWPHZIPTEPIOSI-DTORHVGOSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573786846 949151174 /nfs/dbraw/zinc/15/11/74/949151174.db2.gz FWPHZIPTEPIOSI-DTORHVGOSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573786847 949150703 /nfs/dbraw/zinc/15/07/03/949150703.db2.gz FWPHZIPTEPIOSI-KYZUINATSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573786847 949150692 /nfs/dbraw/zinc/15/06/92/949150692.db2.gz FWPHZIPTEPIOSI-KYZUINATSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)N1CCOCC1 ZINC001573786866 949150773 /nfs/dbraw/zinc/15/07/73/949150773.db2.gz GWJQMVYVOKBXBR-HAQNSBGRSA-N -1 1 387.448 -0.173 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)N1CCOCC1 ZINC001573786866 949150764 /nfs/dbraw/zinc/15/07/64/949150764.db2.gz GWJQMVYVOKBXBR-HAQNSBGRSA-N -1 1 387.448 -0.173 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C(F)(F)F ZINC001573786915 949153461 /nfs/dbraw/zinc/15/34/61/949153461.db2.gz FHZOLEUQDWMWCW-HTQZYQBOSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C(F)(F)F ZINC001573786915 949153451 /nfs/dbraw/zinc/15/34/51/949153451.db2.gz FHZOLEUQDWMWCW-HTQZYQBOSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C(F)(F)F ZINC001573786916 949155568 /nfs/dbraw/zinc/15/55/68/949155568.db2.gz FHZOLEUQDWMWCW-SFYZADRCSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C(F)(F)F ZINC001573786916 949155560 /nfs/dbraw/zinc/15/55/60/949155560.db2.gz FHZOLEUQDWMWCW-SFYZADRCSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1c[nH]cn1 ZINC001573786928 949154650 /nfs/dbraw/zinc/15/46/50/949154650.db2.gz HBHUMAWEHPSOLF-ZJUUUORDSA-N -1 1 384.404 -0.977 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1c[nH]cn1 ZINC001573786931 949154458 /nfs/dbraw/zinc/15/44/58/949154458.db2.gz HDUULMRMRJSTOT-GHMZBOCLSA-N -1 1 384.404 -0.977 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)N1CCOCC1 ZINC001573786967 949160853 /nfs/dbraw/zinc/16/08/53/949160853.db2.gz GWJQMVYVOKBXBR-TXEJJXNPSA-N -1 1 387.448 -0.173 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)N1CCOCC1 ZINC001573786967 949160840 /nfs/dbraw/zinc/16/08/40/949160840.db2.gz GWJQMVYVOKBXBR-TXEJJXNPSA-N -1 1 387.448 -0.173 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573787055 949164309 /nfs/dbraw/zinc/16/43/09/949164309.db2.gz LARFEWAFUPZSBT-DTORHVGOSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573787055 949164299 /nfs/dbraw/zinc/16/42/99/949164299.db2.gz LARFEWAFUPZSBT-DTORHVGOSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)S(C)(=O)=O ZINC001573787056 949162307 /nfs/dbraw/zinc/16/23/07/949162307.db2.gz LARFEWAFUPZSBT-KYZUINATSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)S(C)(=O)=O ZINC001573787056 949162289 /nfs/dbraw/zinc/16/22/89/949162289.db2.gz LARFEWAFUPZSBT-KYZUINATSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573787111 949164857 /nfs/dbraw/zinc/16/48/57/949164857.db2.gz LTGVMUIFVBNUIV-UHFFFAOYSA-N -1 1 384.422 -0.812 20 0 GBADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573787111 949164843 /nfs/dbraw/zinc/16/48/43/949164843.db2.gz LTGVMUIFVBNUIV-UHFFFAOYSA-N -1 1 384.422 -0.812 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C(F)(F)F ZINC001573787116 949163485 /nfs/dbraw/zinc/16/34/85/949163485.db2.gz PBCBQLNFIWRNRQ-BDAKNGLRSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C(F)(F)F ZINC001573787116 949163470 /nfs/dbraw/zinc/16/34/70/949163470.db2.gz PBCBQLNFIWRNRQ-BDAKNGLRSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)S(C)(=O)=O ZINC001573787157 949165909 /nfs/dbraw/zinc/16/59/09/949165909.db2.gz NMYBSIUERAVDNS-GDGBQDQQSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)S(C)(=O)=O ZINC001573787157 949165896 /nfs/dbraw/zinc/16/58/96/949165896.db2.gz NMYBSIUERAVDNS-GDGBQDQQSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001573787170 949167036 /nfs/dbraw/zinc/16/70/36/949167036.db2.gz NWUYPBATIUHXTJ-HAQNSBGRSA-N -1 1 387.448 -0.752 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)N1CCOCC1 ZINC001573787171 949167355 /nfs/dbraw/zinc/16/73/55/949167355.db2.gz NWUYPBATIUHXTJ-TXEJJXNPSA-N -1 1 387.448 -0.752 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)S(C)(=O)=O ZINC001573787186 949168758 /nfs/dbraw/zinc/16/87/58/949168758.db2.gz OLVXPRNRHOHUQM-GDGBQDQQSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)S(C)(=O)=O ZINC001573787186 949168745 /nfs/dbraw/zinc/16/87/45/949168745.db2.gz OLVXPRNRHOHUQM-GDGBQDQQSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573787205 949172547 /nfs/dbraw/zinc/17/25/47/949172547.db2.gz PJTNTXPTWMRIKW-HAQNSBGRSA-N -1 1 387.448 -0.173 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573787205 949172534 /nfs/dbraw/zinc/17/25/34/949172534.db2.gz PJTNTXPTWMRIKW-HAQNSBGRSA-N -1 1 387.448 -0.173 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573787206 949171991 /nfs/dbraw/zinc/17/19/91/949171991.db2.gz PJTNTXPTWMRIKW-TXEJJXNPSA-N -1 1 387.448 -0.173 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573787206 949171976 /nfs/dbraw/zinc/17/19/76/949171976.db2.gz PJTNTXPTWMRIKW-TXEJJXNPSA-N -1 1 387.448 -0.173 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(F)(F)F ZINC001573787216 949172331 /nfs/dbraw/zinc/17/23/31/949172331.db2.gz QUEIVVNQAIXZMU-BDAKNGLRSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(F)(F)F ZINC001573787216 949172320 /nfs/dbraw/zinc/17/23/20/949172320.db2.gz QUEIVVNQAIXZMU-BDAKNGLRSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C(F)(F)F ZINC001573787220 949171133 /nfs/dbraw/zinc/17/11/33/949171133.db2.gz QUEIVVNQAIXZMU-RKDXNWHRSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C(F)(F)F ZINC001573787220 949171124 /nfs/dbraw/zinc/17/11/24/949171124.db2.gz QUEIVVNQAIXZMU-RKDXNWHRSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)(F)F ZINC001573787253 949171905 /nfs/dbraw/zinc/17/19/05/949171905.db2.gz SRWSIBPGOGDRJO-BDAKNGLRSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C(F)(F)F ZINC001573787253 949171896 /nfs/dbraw/zinc/17/18/96/949171896.db2.gz SRWSIBPGOGDRJO-BDAKNGLRSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1c[nH]cn1 ZINC001573787296 949176734 /nfs/dbraw/zinc/17/67/34/949176734.db2.gz SHUOIKZAGYVISV-MSRIBSCDSA-N -1 1 380.416 -0.092 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1c[nH]cn1 ZINC001573787345 949175112 /nfs/dbraw/zinc/17/51/12/949175112.db2.gz VOPMVEOVHBQHGH-GHMZBOCLSA-N -1 1 384.404 -0.977 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1c[nH]cn1 ZINC001573787373 949179448 /nfs/dbraw/zinc/17/94/48/949179448.db2.gz WBNSKISVWOMUHQ-ZJUUUORDSA-N -1 1 384.404 -0.977 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)(F)F ZINC001573787397 949179807 /nfs/dbraw/zinc/17/98/07/949179807.db2.gz WWPUPSSYWUBFJL-SFYZADRCSA-N -1 1 386.338 -0.089 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573787399 949180670 /nfs/dbraw/zinc/18/06/70/949180670.db2.gz XAFRJVUGOWUPRC-KGLIPLIRSA-N -1 1 395.427 -0.305 20 0 GBADMM CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573787399 949180662 /nfs/dbraw/zinc/18/06/62/949180662.db2.gz XAFRJVUGOWUPRC-KGLIPLIRSA-N -1 1 395.427 -0.305 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)N1CCOCC1 ZINC001573787414 949179908 /nfs/dbraw/zinc/17/99/08/949179908.db2.gz YBWZZNJOERCKLA-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)N1CCOCC1 ZINC001573787414 949179895 /nfs/dbraw/zinc/17/98/95/949179895.db2.gz YBWZZNJOERCKLA-LBPRGKRZSA-N -1 1 387.448 -0.538 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573787569 949182538 /nfs/dbraw/zinc/18/25/38/949182538.db2.gz XFGRPRDTOYLEHQ-DTORHVGOSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573787569 949182523 /nfs/dbraw/zinc/18/25/23/949182523.db2.gz XFGRPRDTOYLEHQ-DTORHVGOSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)S(C)(=O)=O ZINC001573787570 949184542 /nfs/dbraw/zinc/18/45/42/949184542.db2.gz XFGRPRDTOYLEHQ-KYZUINATSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)S(C)(=O)=O ZINC001573787570 949184536 /nfs/dbraw/zinc/18/45/36/949184536.db2.gz XFGRPRDTOYLEHQ-KYZUINATSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573787580 949182935 /nfs/dbraw/zinc/18/29/35/949182935.db2.gz XOIODCPNZLXFTQ-DTORHVGOSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573787580 949182921 /nfs/dbraw/zinc/18/29/21/949182921.db2.gz XOIODCPNZLXFTQ-DTORHVGOSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573787581 949181857 /nfs/dbraw/zinc/18/18/57/949181857.db2.gz XOIODCPNZLXFTQ-KYZUINATSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573787581 949181846 /nfs/dbraw/zinc/18/18/46/949181846.db2.gz XOIODCPNZLXFTQ-KYZUINATSA-N -1 1 380.434 -0.461 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573787593 949183443 /nfs/dbraw/zinc/18/34/43/949183443.db2.gz YHIQTUXMPIRJDS-MYJAWHEDSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573787593 949183430 /nfs/dbraw/zinc/18/34/30/949183430.db2.gz YHIQTUXMPIRJDS-MYJAWHEDSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)S(C)(=O)=O ZINC001573787596 949184142 /nfs/dbraw/zinc/18/41/42/949184142.db2.gz YLLOQKNESRRCJN-JZYVYDRUSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)S(C)(=O)=O ZINC001573787618 949187268 /nfs/dbraw/zinc/18/72/68/949187268.db2.gz ZLLWAWDIPMBLPD-GDGBQDQQSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)S(C)(=O)=O ZINC001573787618 949187258 /nfs/dbraw/zinc/18/72/58/949187258.db2.gz ZLLWAWDIPMBLPD-GDGBQDQQSA-N -1 1 392.445 -0.969 20 0 GBADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1c[nH]cn1 ZINC001573787620 949188313 /nfs/dbraw/zinc/18/83/13/949188313.db2.gz ZMGQHIWSOFCMEJ-MSRIBSCDSA-N -1 1 380.416 -0.092 20 0 GBADMM CC(C)(C(N)=O)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573787797 949187738 /nfs/dbraw/zinc/18/77/38/949187738.db2.gz AROYIDCFRNMKLU-KRWDZBQOSA-N -1 1 385.432 -0.403 20 0 GBADMM CC(C)(C(N)=O)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573787797 949187725 /nfs/dbraw/zinc/18/77/25/949187725.db2.gz AROYIDCFRNMKLU-KRWDZBQOSA-N -1 1 385.432 -0.403 20 0 GBADMM CC(C)(C(N)=O)C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573787798 949186780 /nfs/dbraw/zinc/18/67/80/949186780.db2.gz AROYIDCFRNMKLU-QGZVFWFLSA-N -1 1 385.432 -0.403 20 0 GBADMM CC(C)(C(N)=O)C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573787798 949186766 /nfs/dbraw/zinc/18/67/66/949186766.db2.gz AROYIDCFRNMKLU-QGZVFWFLSA-N -1 1 385.432 -0.403 20 0 GBADMM CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573787817 949187871 /nfs/dbraw/zinc/18/78/71/949187871.db2.gz AVXYSTXXJIMHJD-LLVKDONJSA-N -1 1 387.448 -0.111 20 0 GBADMM CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573787817 949187860 /nfs/dbraw/zinc/18/78/60/949187860.db2.gz AVXYSTXXJIMHJD-LLVKDONJSA-N -1 1 387.448 -0.111 20 0 GBADMM CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573787818 949188436 /nfs/dbraw/zinc/18/84/36/949188436.db2.gz AVXYSTXXJIMHJD-NSHDSACASA-N -1 1 387.448 -0.111 20 0 GBADMM CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573787818 949188424 /nfs/dbraw/zinc/18/84/24/949188424.db2.gz AVXYSTXXJIMHJD-NSHDSACASA-N -1 1 387.448 -0.111 20 0 GBADMM CC(C)(C(N)=O)C(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573787891 949187814 /nfs/dbraw/zinc/18/78/14/949187814.db2.gz DAKBFSWAQCOYNA-GHMZBOCLSA-N -1 1 385.432 -0.405 20 0 GBADMM CC(C)(C(N)=O)C(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573787892 949188876 /nfs/dbraw/zinc/18/88/76/949188876.db2.gz DAKBFSWAQCOYNA-MNOVXSKESA-N -1 1 385.432 -0.405 20 0 GBADMM CC(C)(C(N)=O)C(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573787893 949187958 /nfs/dbraw/zinc/18/79/58/949187958.db2.gz DAKBFSWAQCOYNA-QWRGUYRKSA-N -1 1 385.432 -0.405 20 0 GBADMM CC(C)(C(N)=O)C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573787894 949188994 /nfs/dbraw/zinc/18/89/94/949188994.db2.gz DAKBFSWAQCOYNA-WDEREUQCSA-N -1 1 385.432 -0.405 20 0 GBADMM CC(C)(C(N)=O)N1CCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CC1 ZINC001573788076 949190768 /nfs/dbraw/zinc/19/07/68/949190768.db2.gz GEYJGEVBTPZZEZ-UHFFFAOYSA-N -1 1 399.502 -0.361 20 0 GBADMM CC(C)(C(N)=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573788173 949192755 /nfs/dbraw/zinc/19/27/55/949192755.db2.gz HTPYSHJXJWDTPY-FGWVZKOKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(C)(C(N)=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573788173 949192746 /nfs/dbraw/zinc/19/27/46/949192746.db2.gz HTPYSHJXJWDTPY-FGWVZKOKSA-N -1 1 385.432 -0.216 20 0 GBADMM CC(C)(C(N)=O)N1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001573788511 949194905 /nfs/dbraw/zinc/19/49/05/949194905.db2.gz KVXBJISYSXCXJX-UHFFFAOYSA-N -1 1 379.450 -0.586 20 0 GBADMM CC(C)(C(N)=O)N1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001573788511 949194889 /nfs/dbraw/zinc/19/48/89/949194889.db2.gz KVXBJISYSXCXJX-UHFFFAOYSA-N -1 1 379.450 -0.586 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C(N)=O ZINC001573788729 949207516 /nfs/dbraw/zinc/20/75/16/949207516.db2.gz VANOGJCQVRUZFH-SECBINFHSA-N -1 1 375.437 -0.467 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C(N)=O ZINC001573788730 949210773 /nfs/dbraw/zinc/21/07/73/949210773.db2.gz VANOGJCQVRUZFH-VIFPVBQESA-N -1 1 375.437 -0.467 20 0 GBADMM CC(C)(C(N)=O)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573788829 949216695 /nfs/dbraw/zinc/21/66/95/949216695.db2.gz ZJHVDEAOLDXMMG-UHFFFAOYSA-N -1 1 387.448 -0.179 20 0 GBADMM CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001573793573 949301450 /nfs/dbraw/zinc/30/14/50/949301450.db2.gz VIYAYRWBHVQKKX-LLVKDONJSA-N -1 1 388.432 -0.017 20 0 GBADMM CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001573793573 949301428 /nfs/dbraw/zinc/30/14/28/949301428.db2.gz VIYAYRWBHVQKKX-LLVKDONJSA-N -1 1 388.432 -0.017 20 0 GBADMM CC(C)(C)C(=O)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001573793574 949301514 /nfs/dbraw/zinc/30/15/14/949301514.db2.gz VIYAYRWBHVQKKX-NSHDSACASA-N -1 1 388.432 -0.017 20 0 GBADMM CC(C)(C)C(=O)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001573793574 949301489 /nfs/dbraw/zinc/30/14/89/949301489.db2.gz VIYAYRWBHVQKKX-NSHDSACASA-N -1 1 388.432 -0.017 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001573798367 949351482 /nfs/dbraw/zinc/35/14/82/949351482.db2.gz ALLAVYVNPZRRFO-QWRGUYRKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001573798367 949351463 /nfs/dbraw/zinc/35/14/63/949351463.db2.gz ALLAVYVNPZRRFO-QWRGUYRKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573798385 949347212 /nfs/dbraw/zinc/34/72/12/949347212.db2.gz AYABOBFTXZNZFQ-LLVKDONJSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573798388 949348316 /nfs/dbraw/zinc/34/83/16/949348316.db2.gz AYABOBFTXZNZFQ-NSHDSACASA-N -1 1 387.448 -0.452 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001573798758 949361192 /nfs/dbraw/zinc/36/11/92/949361192.db2.gz FGJPOUMIYBJHRE-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001573798758 949361176 /nfs/dbraw/zinc/36/11/76/949361176.db2.gz FGJPOUMIYBJHRE-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573798772 949357537 /nfs/dbraw/zinc/35/75/37/949357537.db2.gz FNRLLRZDWMJBHH-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573798772 949357512 /nfs/dbraw/zinc/35/75/12/949357512.db2.gz FNRLLRZDWMJBHH-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573798773 949359211 /nfs/dbraw/zinc/35/92/11/949359211.db2.gz FOPGLRRPPQSYFU-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573798777 949357664 /nfs/dbraw/zinc/35/76/64/949357664.db2.gz FUTRQFFDICSZRP-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573798777 949357644 /nfs/dbraw/zinc/35/76/44/949357644.db2.gz FUTRQFFDICSZRP-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573798778 949356839 /nfs/dbraw/zinc/35/68/39/949356839.db2.gz FUTRQFFDICSZRP-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573798778 949356820 /nfs/dbraw/zinc/35/68/20/949356820.db2.gz FUTRQFFDICSZRP-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573798860 949361106 /nfs/dbraw/zinc/36/11/06/949361106.db2.gz IICXSMZXWNIXLG-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573798862 949357831 /nfs/dbraw/zinc/35/78/31/949357831.db2.gz IICXSMZXWNIXLG-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573799028 949361824 /nfs/dbraw/zinc/36/18/24/949361824.db2.gz IQULPGNKQAZCOU-LLVKDONJSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573799029 949364764 /nfs/dbraw/zinc/36/47/64/949364764.db2.gz IQULPGNKQAZCOU-NSHDSACASA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573799113 949363090 /nfs/dbraw/zinc/36/30/90/949363090.db2.gz KGPXLILRDSXVFH-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573799113 949363066 /nfs/dbraw/zinc/36/30/66/949363066.db2.gz KGPXLILRDSXVFH-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573799115 949364539 /nfs/dbraw/zinc/36/45/39/949364539.db2.gz KIAXNZBDPCMRJY-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573799115 949364520 /nfs/dbraw/zinc/36/45/20/949364520.db2.gz KIAXNZBDPCMRJY-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573799152 949370656 /nfs/dbraw/zinc/37/06/56/949370656.db2.gz KRKXUWUABYPNTR-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573799152 949370637 /nfs/dbraw/zinc/37/06/37/949370637.db2.gz KRKXUWUABYPNTR-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573799328 949369776 /nfs/dbraw/zinc/36/97/76/949369776.db2.gz LHNTWOQOPKITEP-QWRGUYRKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573799328 949369754 /nfs/dbraw/zinc/36/97/54/949369754.db2.gz LHNTWOQOPKITEP-QWRGUYRKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573799425 949367778 /nfs/dbraw/zinc/36/77/78/949367778.db2.gz MJILMVLHIBRCBR-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573799425 949367755 /nfs/dbraw/zinc/36/77/55/949367755.db2.gz MJILMVLHIBRCBR-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573799517 949374306 /nfs/dbraw/zinc/37/43/06/949374306.db2.gz NBOPAZNLZULBKP-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573799517 949374288 /nfs/dbraw/zinc/37/42/88/949374288.db2.gz NBOPAZNLZULBKP-UHFFFAOYSA-N -1 1 391.436 -0.948 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573799520 949374765 /nfs/dbraw/zinc/37/47/65/949374765.db2.gz NCQAVOYBYUAAMT-QWRGUYRKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573799546 949374974 /nfs/dbraw/zinc/37/49/74/949374974.db2.gz NGPXEONNAFQIGR-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573799546 949374952 /nfs/dbraw/zinc/37/49/52/949374952.db2.gz NGPXEONNAFQIGR-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573799548 949374047 /nfs/dbraw/zinc/37/40/47/949374047.db2.gz NGPXEONNAFQIGR-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573799548 949374025 /nfs/dbraw/zinc/37/40/25/949374025.db2.gz NGPXEONNAFQIGR-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573799621 949374250 /nfs/dbraw/zinc/37/42/50/949374250.db2.gz NVVYXQGSVMRDHS-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573799621 949374225 /nfs/dbraw/zinc/37/42/25/949374225.db2.gz NVVYXQGSVMRDHS-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573799624 949375534 /nfs/dbraw/zinc/37/55/34/949375534.db2.gz ODIXLMFYXRHUTK-UHFFFAOYSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573799653 949373272 /nfs/dbraw/zinc/37/32/72/949373272.db2.gz OUHVZZOURBFHFJ-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573799653 949373249 /nfs/dbraw/zinc/37/32/49/949373249.db2.gz OUHVZZOURBFHFJ-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573799654 949373527 /nfs/dbraw/zinc/37/35/27/949373527.db2.gz OUHVZZOURBFHFJ-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573799654 949373512 /nfs/dbraw/zinc/37/35/12/949373512.db2.gz OUHVZZOURBFHFJ-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573799704 949381535 /nfs/dbraw/zinc/38/15/35/949381535.db2.gz PXFUIFULGGAJSL-LLVKDONJSA-N -1 1 387.448 -0.499 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573799705 949380136 /nfs/dbraw/zinc/38/01/36/949380136.db2.gz PXFUIFULGGAJSL-NSHDSACASA-N -1 1 387.448 -0.499 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573799950 949386852 /nfs/dbraw/zinc/38/68/52/949386852.db2.gz RSAKXFBNGJTQPD-UHFFFAOYSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001573799951 949382019 /nfs/dbraw/zinc/38/20/19/949382019.db2.gz RSUYAJLCCARXDC-QWRGUYRKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001573799951 949381994 /nfs/dbraw/zinc/38/19/94/949381994.db2.gz RSUYAJLCCARXDC-QWRGUYRKSA-N -1 1 385.432 -0.392 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573799958 949382333 /nfs/dbraw/zinc/38/23/33/949382333.db2.gz RZOJSOQEWKJFDR-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573800017 949385832 /nfs/dbraw/zinc/38/58/32/949385832.db2.gz UHIWEPCIUOPJTA-LLVKDONJSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573800018 949382668 /nfs/dbraw/zinc/38/26/68/949382668.db2.gz UHIWEPCIUOPJTA-NSHDSACASA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573800223 949391011 /nfs/dbraw/zinc/39/10/11/949391011.db2.gz UJQYJENQMVODNN-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573800223 949390989 /nfs/dbraw/zinc/39/09/89/949390989.db2.gz UJQYJENQMVODNN-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573800224 949387616 /nfs/dbraw/zinc/38/76/16/949387616.db2.gz UJQYJENQMVODNN-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573800224 949387606 /nfs/dbraw/zinc/38/76/06/949387606.db2.gz UJQYJENQMVODNN-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573800593 949397592 /nfs/dbraw/zinc/39/75/92/949397592.db2.gz ZDXTYOJEIPAFIO-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573800593 949397568 /nfs/dbraw/zinc/39/75/68/949397568.db2.gz ZDXTYOJEIPAFIO-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001573801425 949399612 /nfs/dbraw/zinc/39/96/12/949399612.db2.gz ABPZLZVPWKJXRJ-UHFFFAOYSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573801583 949398610 /nfs/dbraw/zinc/39/86/10/949398610.db2.gz AXAYMBZEBNPMSU-UHFFFAOYSA-N -1 1 389.416 -0.027 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573801583 949398588 /nfs/dbraw/zinc/39/85/88/949398588.db2.gz AXAYMBZEBNPMSU-UHFFFAOYSA-N -1 1 389.416 -0.027 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573801657 949403742 /nfs/dbraw/zinc/40/37/42/949403742.db2.gz BOMLYFXXPMRNNJ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573801686 949403280 /nfs/dbraw/zinc/40/32/80/949403280.db2.gz BRNINCONYPYAEV-LLVKDONJSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573801696 949403919 /nfs/dbraw/zinc/40/39/19/949403919.db2.gz BRNINCONYPYAEV-NSHDSACASA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573801787 949403487 /nfs/dbraw/zinc/40/34/87/949403487.db2.gz CMOJUIVROAVVLG-MSRIBSCDSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573801787 949403476 /nfs/dbraw/zinc/40/34/76/949403476.db2.gz CMOJUIVROAVVLG-MSRIBSCDSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573801848 949403248 /nfs/dbraw/zinc/40/32/48/949403248.db2.gz AHBGCZAPZQVGBD-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573801919 949406401 /nfs/dbraw/zinc/40/64/01/949406401.db2.gz AUTSWEOSTHEQOZ-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573801922 949408925 /nfs/dbraw/zinc/40/89/25/949408925.db2.gz AUTSWEOSTHEQOZ-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573801928 949407348 /nfs/dbraw/zinc/40/73/48/949407348.db2.gz AYGZANSEVMENAG-LLVKDONJSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573801931 949409497 /nfs/dbraw/zinc/40/94/97/949409497.db2.gz AYGZANSEVMENAG-NSHDSACASA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573802031 949406749 /nfs/dbraw/zinc/40/67/49/949406749.db2.gz CBAHARDDFUPTGV-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573802031 949406728 /nfs/dbraw/zinc/40/67/28/949406728.db2.gz CBAHARDDFUPTGV-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573802032 949408060 /nfs/dbraw/zinc/40/80/60/949408060.db2.gz CBAHARDDFUPTGV-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573802032 949408045 /nfs/dbraw/zinc/40/80/45/949408045.db2.gz CBAHARDDFUPTGV-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573802156 949412833 /nfs/dbraw/zinc/41/28/33/949412833.db2.gz FHHPZZGSBUDXCB-PHIMTYICSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573802157 949412161 /nfs/dbraw/zinc/41/21/61/949412161.db2.gz FHHPZZGSBUDXCB-UHFFFAOYSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573802158 949412228 /nfs/dbraw/zinc/41/22/28/949412228.db2.gz FHHPZZGSBUDXCB-XYPYZODXSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573802168 949412759 /nfs/dbraw/zinc/41/27/59/949412759.db2.gz FKWLOQSYLYKDND-UHFFFAOYSA-N -1 1 377.409 -0.473 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573802168 949412739 /nfs/dbraw/zinc/41/27/39/949412739.db2.gz FKWLOQSYLYKDND-UHFFFAOYSA-N -1 1 377.409 -0.473 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573802297 949415394 /nfs/dbraw/zinc/41/53/94/949415394.db2.gz HGIHHQGCVXVFJF-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573802297 949415376 /nfs/dbraw/zinc/41/53/76/949415376.db2.gz HGIHHQGCVXVFJF-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573802458 949421501 /nfs/dbraw/zinc/42/15/01/949421501.db2.gz HXBFITGJLTXDNH-UHFFFAOYSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573802464 949419228 /nfs/dbraw/zinc/41/92/28/949419228.db2.gz HZUCWJDQFBRUJQ-PHIMTYICSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573802465 949421195 /nfs/dbraw/zinc/42/11/95/949421195.db2.gz HZUCWJDQFBRUJQ-XYPYZODXSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573802550 949421230 /nfs/dbraw/zinc/42/12/30/949421230.db2.gz HYUSSLKOMJNZCX-IWIIMEHWSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573802573 949422005 /nfs/dbraw/zinc/42/20/05/949422005.db2.gz JBHATOVYGKAPTI-LLVKDONJSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573802573 949421986 /nfs/dbraw/zinc/42/19/86/949421986.db2.gz JBHATOVYGKAPTI-LLVKDONJSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573802574 949422491 /nfs/dbraw/zinc/42/24/91/949422491.db2.gz JBHATOVYGKAPTI-NSHDSACASA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573802574 949422478 /nfs/dbraw/zinc/42/24/78/949422478.db2.gz JBHATOVYGKAPTI-NSHDSACASA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573802613 949425034 /nfs/dbraw/zinc/42/50/34/949425034.db2.gz JQYHZVYFDBIAKI-MSRIBSCDSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573802613 949425018 /nfs/dbraw/zinc/42/50/18/949425018.db2.gz JQYHZVYFDBIAKI-MSRIBSCDSA-N -1 1 385.432 -0.630 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573802618 949425871 /nfs/dbraw/zinc/42/58/71/949425871.db2.gz JYERGDKABOUSEY-LLVKDONJSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573802618 949425857 /nfs/dbraw/zinc/42/58/57/949425857.db2.gz JYERGDKABOUSEY-LLVKDONJSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573802621 949423559 /nfs/dbraw/zinc/42/35/59/949423559.db2.gz JYERGDKABOUSEY-NSHDSACASA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573802621 949423546 /nfs/dbraw/zinc/42/35/46/949423546.db2.gz JYERGDKABOUSEY-NSHDSACASA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573802744 949426030 /nfs/dbraw/zinc/42/60/30/949426030.db2.gz KLGHQLMIFSYPNP-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573802744 949426019 /nfs/dbraw/zinc/42/60/19/949426019.db2.gz KLGHQLMIFSYPNP-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573802757 949424500 /nfs/dbraw/zinc/42/45/00/949424500.db2.gz KLGHQLMIFSYPNP-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573802757 949424484 /nfs/dbraw/zinc/42/44/84/949424484.db2.gz KLGHQLMIFSYPNP-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573802830 949426856 /nfs/dbraw/zinc/42/68/56/949426856.db2.gz IVWJWUCVWYQOSJ-UHFFFAOYSA-N -1 1 391.436 -0.083 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573802830 949426844 /nfs/dbraw/zinc/42/68/44/949426844.db2.gz IVWJWUCVWYQOSJ-UHFFFAOYSA-N -1 1 391.436 -0.083 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573802838 949423914 /nfs/dbraw/zinc/42/39/14/949423914.db2.gz JIUXCYHHYLOVBR-UHFFFAOYSA-N -1 1 390.404 -0.935 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573802850 949425386 /nfs/dbraw/zinc/42/53/86/949425386.db2.gz JXASHKUDCKGEDR-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573802850 949425367 /nfs/dbraw/zinc/42/53/67/949425367.db2.gz JXASHKUDCKGEDR-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573802898 949428310 /nfs/dbraw/zinc/42/83/10/949428310.db2.gz LCASDCUHCHTZFP-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573802898 949428293 /nfs/dbraw/zinc/42/82/93/949428293.db2.gz LCASDCUHCHTZFP-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573802899 949430444 /nfs/dbraw/zinc/43/04/44/949430444.db2.gz LCASDCUHCHTZFP-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573802899 949430428 /nfs/dbraw/zinc/43/04/28/949430428.db2.gz LCASDCUHCHTZFP-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573803219 949433977 /nfs/dbraw/zinc/43/39/77/949433977.db2.gz NUSROVMPLOUZLA-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM 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CC(C)(C)C(=O)NCC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573803710 949454511 /nfs/dbraw/zinc/45/45/11/949454511.db2.gz RJULFLGPUYFKGW-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573803710 949454495 /nfs/dbraw/zinc/45/44/95/949454495.db2.gz RJULFLGPUYFKGW-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573803901 949459088 /nfs/dbraw/zinc/45/90/88/949459088.db2.gz WRQBZTQRJQMHCN-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573803901 949459073 /nfs/dbraw/zinc/45/90/73/949459073.db2.gz WRQBZTQRJQMHCN-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573804193 949466107 /nfs/dbraw/zinc/46/61/07/949466107.db2.gz SZTABHVCVDFYGM-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573804198 949465574 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387.448 -0.452 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573804482 949471515 /nfs/dbraw/zinc/47/15/15/949471515.db2.gz WAJNHJSEONZORK-NSHDSACASA-N -1 1 387.448 -0.452 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573804499 949471023 /nfs/dbraw/zinc/47/10/23/949471023.db2.gz WMSVJFHMKQHAOC-LLVKDONJSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573804499 949471008 /nfs/dbraw/zinc/47/10/08/949471008.db2.gz WMSVJFHMKQHAOC-LLVKDONJSA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573804500 949472510 /nfs/dbraw/zinc/47/25/10/949472510.db2.gz WMSVJFHMKQHAOC-NSHDSACASA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573804500 949472498 /nfs/dbraw/zinc/47/24/98/949472498.db2.gz WMSVJFHMKQHAOC-NSHDSACASA-N -1 1 387.448 -0.239 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573804621 949471973 /nfs/dbraw/zinc/47/19/73/949471973.db2.gz YFFFXPUALXYFOQ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)C(=O)NCC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573804621 949471962 /nfs/dbraw/zinc/47/19/62/949471962.db2.gz YFFFXPUALXYFOQ-UHFFFAOYSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573814167 949634443 /nfs/dbraw/zinc/63/44/43/949634443.db2.gz AYQUHRDXFPWDMP-LLVKDONJSA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573814167 949634427 /nfs/dbraw/zinc/63/44/27/949634427.db2.gz AYQUHRDXFPWDMP-LLVKDONJSA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573814169 949639723 /nfs/dbraw/zinc/63/97/23/949639723.db2.gz AYQUHRDXFPWDMP-NSHDSACASA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573814169 949639715 /nfs/dbraw/zinc/63/97/15/949639715.db2.gz AYQUHRDXFPWDMP-NSHDSACASA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1COC(=O)N1 ZINC001573814213 949639965 /nfs/dbraw/zinc/63/99/65/949639965.db2.gz BMQIOMPONFGBJR-NXEZZACHSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1COC(=O)N1 ZINC001573814213 949639955 /nfs/dbraw/zinc/63/99/55/949639955.db2.gz BMQIOMPONFGBJR-NXEZZACHSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573814216 949640572 /nfs/dbraw/zinc/64/05/72/949640572.db2.gz BMQIOMPONFGBJR-UWVGGRQHSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573814216 949640559 /nfs/dbraw/zinc/64/05/59/949640559.db2.gz BMQIOMPONFGBJR-UWVGGRQHSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573814218 949637524 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FIJQKOJKSCCVNN-MNOVXSKESA-N -1 1 388.432 -0.025 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573814731 949642863 /nfs/dbraw/zinc/64/28/63/949642863.db2.gz FIJQKOJKSCCVNN-QWRGUYRKSA-N -1 1 388.432 -0.025 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573814733 949644169 /nfs/dbraw/zinc/64/41/69/949644169.db2.gz FIJQKOJKSCCVNN-WDEREUQCSA-N -1 1 388.432 -0.025 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001573814903 949647926 /nfs/dbraw/zinc/64/79/26/949647926.db2.gz FPWJLIUADLVJLW-NEPJUHHUSA-N -1 1 390.448 -0.173 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001573814915 949647062 /nfs/dbraw/zinc/64/70/62/949647062.db2.gz FPWJLIUADLVJLW-NWDGAFQWSA-N -1 1 390.448 -0.173 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001573814923 949649177 /nfs/dbraw/zinc/64/91/77/949649177.db2.gz FPWJLIUADLVJLW-RYUDHWBXSA-N -1 1 390.448 -0.173 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001573814932 949647625 /nfs/dbraw/zinc/64/76/25/949647625.db2.gz FPWJLIUADLVJLW-VXGBXAGGSA-N -1 1 390.448 -0.173 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cnnn1 ZINC001573815543 949651677 /nfs/dbraw/zinc/65/16/77/949651677.db2.gz IMHJCMCGHRJYAM-JTQLQIEISA-N -1 1 386.424 -0.902 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cnnn1 ZINC001573815545 949653516 /nfs/dbraw/zinc/65/35/16/949653516.db2.gz IMHJCMCGHRJYAM-SNVBAGLBSA-N -1 1 386.424 -0.902 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573815866 949662765 /nfs/dbraw/zinc/66/27/65/949662765.db2.gz LCUONCAOCDZILS-GHMZBOCLSA-N -1 1 387.448 -0.452 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573815867 949662569 /nfs/dbraw/zinc/66/25/69/949662569.db2.gz LCUONCAOCDZILS-MNOVXSKESA-N -1 1 387.448 -0.452 20 0 GBADMM 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382.450 -0.934 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cncn1 ZINC001573817334 949705472 /nfs/dbraw/zinc/70/54/72/949705472.db2.gz ZMOYLLWXBYNJBL-LLVKDONJSA-N -1 1 385.436 -0.297 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cncn1 ZINC001573817337 949704315 /nfs/dbraw/zinc/70/43/15/949704315.db2.gz ZMOYLLWXBYNJBL-NSHDSACASA-N -1 1 385.436 -0.297 20 0 GBADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CN1CCOCC1 ZINC001573817731 949704274 /nfs/dbraw/zinc/70/42/74/949704274.db2.gz ALHHPGRMYRUJLH-CYBMUJFWSA-N -1 1 389.464 -0.068 20 0 GBADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CN1CCOCC1 ZINC001573817731 949704256 /nfs/dbraw/zinc/70/42/56/949704256.db2.gz ALHHPGRMYRUJLH-CYBMUJFWSA-N -1 1 389.464 -0.068 20 0 GBADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CN1CCOCC1 ZINC001573817735 949702811 /nfs/dbraw/zinc/70/28/11/949702811.db2.gz ALHHPGRMYRUJLH-ZDUSSCGKSA-N -1 1 389.464 -0.068 20 0 GBADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CN1CCOCC1 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20 0 GBADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1COC(=O)N1 ZINC001573818182 949723337 /nfs/dbraw/zinc/72/33/37/949723337.db2.gz HSEFEZMJHKXLPB-ZJUUUORDSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573818199 949720208 /nfs/dbraw/zinc/72/02/08/949720208.db2.gz IEULRZHYNZNZBA-LLVKDONJSA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573818199 949720193 /nfs/dbraw/zinc/72/01/93/949720193.db2.gz IEULRZHYNZNZBA-LLVKDONJSA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573818200 949721120 /nfs/dbraw/zinc/72/11/20/949721120.db2.gz IEULRZHYNZNZBA-NSHDSACASA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573818200 949721113 /nfs/dbraw/zinc/72/11/13/949721113.db2.gz IEULRZHYNZNZBA-NSHDSACASA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cnnn1 ZINC001573818259 949728530 /nfs/dbraw/zinc/72/85/30/949728530.db2.gz JEFYPXSBILIYQF-LLVKDONJSA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cnnn1 ZINC001573818259 949728511 /nfs/dbraw/zinc/72/85/11/949728511.db2.gz JEFYPXSBILIYQF-LLVKDONJSA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cnnn1 ZINC001573818260 949728582 /nfs/dbraw/zinc/72/85/82/949728582.db2.gz JEFYPXSBILIYQF-NSHDSACASA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cnnn1 ZINC001573818260 949728563 /nfs/dbraw/zinc/72/85/63/949728563.db2.gz JEFYPXSBILIYQF-NSHDSACASA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573818291 949728398 /nfs/dbraw/zinc/72/83/98/949728398.db2.gz JZVHHWCRHIPFSD-JTQLQIEISA-N -1 1 384.404 -0.582 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573818292 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QLUXCXUQQMYJPB-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CS(C)(=O)=O ZINC001573818997 949746022 /nfs/dbraw/zinc/74/60/22/949746022.db2.gz QLUXCXUQQMYJPB-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CS(C)(=O)=O ZINC001573818998 949746935 /nfs/dbraw/zinc/74/69/35/949746935.db2.gz QLUXCXUQQMYJPB-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CS(C)(=O)=O ZINC001573818998 949746921 /nfs/dbraw/zinc/74/69/21/949746921.db2.gz QLUXCXUQQMYJPB-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573819023 949751376 /nfs/dbraw/zinc/75/13/76/949751376.db2.gz RDDGAUQDZYOWLP-BTDLBPIBSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573819024 949750222 /nfs/dbraw/zinc/75/02/22/949750222.db2.gz RDDGAUQDZYOWLP-QGHHPUGFSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cnnn1 ZINC001573819347 949755281 /nfs/dbraw/zinc/75/52/81/949755281.db2.gz UCGOKDBPRPZNCY-LLVKDONJSA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cnnn1 ZINC001573819347 949755256 /nfs/dbraw/zinc/75/52/56/949755256.db2.gz UCGOKDBPRPZNCY-LLVKDONJSA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cnnn1 ZINC001573819348 949752609 /nfs/dbraw/zinc/75/26/09/949752609.db2.gz UCGOKDBPRPZNCY-NSHDSACASA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cnnn1 ZINC001573819348 949752596 /nfs/dbraw/zinc/75/25/96/949752596.db2.gz UCGOKDBPRPZNCY-NSHDSACASA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573819772 949753559 /nfs/dbraw/zinc/75/35/59/949753559.db2.gz VADIDBZKNSLDTI-JTQLQIEISA-N -1 1 384.404 -0.169 20 0 GBADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573819773 949755814 /nfs/dbraw/zinc/75/58/14/949755814.db2.gz VADIDBZKNSLDTI-SNVBAGLBSA-N -1 1 384.404 -0.169 20 0 GBADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CS(C)(=O)=O ZINC001573819837 949760091 /nfs/dbraw/zinc/76/00/91/949760091.db2.gz WCYIKRMWHLYXAI-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CS(C)(=O)=O ZINC001573819837 949760078 /nfs/dbraw/zinc/76/00/78/949760078.db2.gz WCYIKRMWHLYXAI-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CS(C)(=O)=O ZINC001573819838 949757259 /nfs/dbraw/zinc/75/72/59/949757259.db2.gz WCYIKRMWHLYXAI-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CS(C)(=O)=O ZINC001573819838 949757242 /nfs/dbraw/zinc/75/72/42/949757242.db2.gz WCYIKRMWHLYXAI-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573821390 949774480 /nfs/dbraw/zinc/77/44/80/949774480.db2.gz BDCUPSGOLATTEI-BXKDBHETSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573821390 949774470 /nfs/dbraw/zinc/77/44/70/949774470.db2.gz BDCUPSGOLATTEI-BXKDBHETSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573821391 949770978 /nfs/dbraw/zinc/77/09/78/949770978.db2.gz BDCUPSGOLATTEI-CABZTGNLSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573821391 949770959 /nfs/dbraw/zinc/77/09/59/949770959.db2.gz BDCUPSGOLATTEI-CABZTGNLSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573821393 949772864 /nfs/dbraw/zinc/77/28/64/949772864.db2.gz BDCUPSGOLATTEI-JOYOIKCWSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573821393 949772849 /nfs/dbraw/zinc/77/28/49/949772849.db2.gz BDCUPSGOLATTEI-JOYOIKCWSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573821394 949773503 /nfs/dbraw/zinc/77/35/03/949773503.db2.gz BDCUPSGOLATTEI-SKDRFNHKSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573821394 949773482 /nfs/dbraw/zinc/77/34/82/949773482.db2.gz BDCUPSGOLATTEI-SKDRFNHKSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cnnn1 ZINC001573821668 949776134 /nfs/dbraw/zinc/77/61/34/949776134.db2.gz CREXAPCTQOPYGF-JTQLQIEISA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cnnn1 ZINC001573821668 949776119 /nfs/dbraw/zinc/77/61/19/949776119.db2.gz CREXAPCTQOPYGF-JTQLQIEISA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cnnn1 ZINC001573821669 949779091 /nfs/dbraw/zinc/77/90/91/949779091.db2.gz CREXAPCTQOPYGF-SNVBAGLBSA-N -1 1 386.424 -0.324 20 0 GBADMM 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388.436 -0.612 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573824991 949857931 /nfs/dbraw/zinc/85/79/31/949857931.db2.gz KCVPVCWVBDESTL-GFCCVEGCSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573824999 949859606 /nfs/dbraw/zinc/85/96/06/949859606.db2.gz KCVPVCWVBDESTL-LBPRGKRZSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573824999 949859592 /nfs/dbraw/zinc/85/95/92/949859592.db2.gz KCVPVCWVBDESTL-LBPRGKRZSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573825229 949868257 /nfs/dbraw/zinc/86/82/57/949868257.db2.gz NTUXNLQKVYZIBB-BXKDBHETSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573825229 949868242 /nfs/dbraw/zinc/86/82/42/949868242.db2.gz NTUXNLQKVYZIBB-BXKDBHETSA-N -1 1 388.436 -0.248 20 0 GBADMM 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CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573825232 949869535 /nfs/dbraw/zinc/86/95/35/949869535.db2.gz NTUXNLQKVYZIBB-SKDRFNHKSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573825261 949867445 /nfs/dbraw/zinc/86/74/45/949867445.db2.gz OUTHQGLEXLPTDB-LLVKDONJSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573825262 949868644 /nfs/dbraw/zinc/86/86/44/949868644.db2.gz OUTHQGLEXLPTDB-NSHDSACASA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573825270 949868532 /nfs/dbraw/zinc/86/85/32/949868532.db2.gz PGAJBVKGYWGJBD-GXSJLCMTSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573825271 949870094 /nfs/dbraw/zinc/87/00/94/949870094.db2.gz PGAJBVKGYWGJBD-KOLCDFICSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573825272 949868767 /nfs/dbraw/zinc/86/87/67/949868767.db2.gz PGAJBVKGYWGJBD-MWLCHTKSSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573825273 949870486 /nfs/dbraw/zinc/87/04/86/949870486.db2.gz PGAJBVKGYWGJBD-ONGXEEELSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573825290 949872730 /nfs/dbraw/zinc/87/27/30/949872730.db2.gz QKIUHHLMCNFNIA-GFCCVEGCSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573825290 949872706 /nfs/dbraw/zinc/87/27/06/949872706.db2.gz QKIUHHLMCNFNIA-GFCCVEGCSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573825291 949875967 /nfs/dbraw/zinc/87/59/67/949875967.db2.gz QKIUHHLMCNFNIA-LBPRGKRZSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573825291 949875935 /nfs/dbraw/zinc/87/59/35/949875935.db2.gz QKIUHHLMCNFNIA-LBPRGKRZSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573825328 949872009 /nfs/dbraw/zinc/87/20/09/949872009.db2.gz RXCXKPKAUFKTKT-GFCCVEGCSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573825328 949871989 /nfs/dbraw/zinc/87/19/89/949871989.db2.gz RXCXKPKAUFKTKT-GFCCVEGCSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573825329 949873821 /nfs/dbraw/zinc/87/38/21/949873821.db2.gz RXCXKPKAUFKTKT-LBPRGKRZSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573825329 949873802 /nfs/dbraw/zinc/87/38/02/949873802.db2.gz RXCXKPKAUFKTKT-LBPRGKRZSA-N -1 1 388.436 -0.612 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573825433 949879688 /nfs/dbraw/zinc/87/96/88/949879688.db2.gz VOGTVXYZRDKXLH-BXKDBHETSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573825433 949879671 /nfs/dbraw/zinc/87/96/71/949879671.db2.gz VOGTVXYZRDKXLH-BXKDBHETSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573825434 949877779 /nfs/dbraw/zinc/87/77/79/949877779.db2.gz VOGTVXYZRDKXLH-CABZTGNLSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573825434 949877758 /nfs/dbraw/zinc/87/77/58/949877758.db2.gz VOGTVXYZRDKXLH-CABZTGNLSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573825435 949878764 /nfs/dbraw/zinc/87/87/64/949878764.db2.gz VOGTVXYZRDKXLH-JOYOIKCWSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573825435 949878741 /nfs/dbraw/zinc/87/87/41/949878741.db2.gz VOGTVXYZRDKXLH-JOYOIKCWSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573825436 949882060 /nfs/dbraw/zinc/88/20/60/949882060.db2.gz VOGTVXYZRDKXLH-SKDRFNHKSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573825436 949882045 /nfs/dbraw/zinc/88/20/45/949882045.db2.gz VOGTVXYZRDKXLH-SKDRFNHKSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573825462 949881633 /nfs/dbraw/zinc/88/16/33/949881633.db2.gz WPFOOOFIZLLBLG-BXKDBHETSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573825462 949881603 /nfs/dbraw/zinc/88/16/03/949881603.db2.gz WPFOOOFIZLLBLG-BXKDBHETSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573825463 949881431 /nfs/dbraw/zinc/88/14/31/949881431.db2.gz WPFOOOFIZLLBLG-CABZTGNLSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573825463 949881413 /nfs/dbraw/zinc/88/14/13/949881413.db2.gz WPFOOOFIZLLBLG-CABZTGNLSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573825464 949880405 /nfs/dbraw/zinc/88/04/05/949880405.db2.gz WPFOOOFIZLLBLG-JOYOIKCWSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573825464 949880385 /nfs/dbraw/zinc/88/03/85/949880385.db2.gz WPFOOOFIZLLBLG-JOYOIKCWSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573825465 949881557 /nfs/dbraw/zinc/88/15/57/949881557.db2.gz WPFOOOFIZLLBLG-SKDRFNHKSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573825465 949881534 /nfs/dbraw/zinc/88/15/34/949881534.db2.gz WPFOOOFIZLLBLG-SKDRFNHKSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573825486 949887031 /nfs/dbraw/zinc/88/70/31/949887031.db2.gz XSLQNBKEEHRVHO-BXKDBHETSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573825486 949887014 /nfs/dbraw/zinc/88/70/14/949887014.db2.gz XSLQNBKEEHRVHO-BXKDBHETSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573825487 949882835 /nfs/dbraw/zinc/88/28/35/949882835.db2.gz XSLQNBKEEHRVHO-CABZTGNLSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573825487 949882813 /nfs/dbraw/zinc/88/28/13/949882813.db2.gz XSLQNBKEEHRVHO-CABZTGNLSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573825488 949884506 /nfs/dbraw/zinc/88/45/06/949884506.db2.gz XSLQNBKEEHRVHO-JOYOIKCWSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573825488 949884479 /nfs/dbraw/zinc/88/44/79/949884479.db2.gz XSLQNBKEEHRVHO-JOYOIKCWSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573825489 949886579 /nfs/dbraw/zinc/88/65/79/949886579.db2.gz XSLQNBKEEHRVHO-SKDRFNHKSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573825489 949886551 /nfs/dbraw/zinc/88/65/51/949886551.db2.gz XSLQNBKEEHRVHO-SKDRFNHKSA-N -1 1 388.436 -0.565 20 0 GBADMM CC(C)(C)C1CCN(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001573825902 949894765 /nfs/dbraw/zinc/89/47/65/949894765.db2.gz CFJIRPAROUPCMI-UHFFFAOYSA-N -1 1 376.421 -0.082 20 0 GBADMM CC(C)(C)[C@@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H]1O ZINC001573826245 949901287 /nfs/dbraw/zinc/90/12/87/949901287.db2.gz FNGJIVHXCHFTET-GHMZBOCLSA-N -1 1 377.405 -0.616 20 0 GBADMM CC(C)(C)[C@@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1O ZINC001573826246 949902085 /nfs/dbraw/zinc/90/20/85/949902085.db2.gz FNGJIVHXCHFTET-MNOVXSKESA-N -1 1 377.405 -0.616 20 0 GBADMM CC(C)(C)[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1O ZINC001573826247 949897570 /nfs/dbraw/zinc/89/75/70/949897570.db2.gz FNGJIVHXCHFTET-QWRGUYRKSA-N -1 1 377.405 -0.616 20 0 GBADMM CC(C)(C)[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H]1O ZINC001573826248 949900401 /nfs/dbraw/zinc/90/04/01/949900401.db2.gz FNGJIVHXCHFTET-WDEREUQCSA-N -1 1 377.405 -0.616 20 0 GBADMM CC(C)(C)[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001573827989 949933048 /nfs/dbraw/zinc/93/30/48/949933048.db2.gz PDBTZURQRHFDTF-LLVKDONJSA-N -1 1 377.405 -0.207 20 0 GBADMM CC(C)(C)[C@@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001573827990 949930894 /nfs/dbraw/zinc/93/08/94/949930894.db2.gz PDBTZURQRHFDTF-NSHDSACASA-N -1 1 377.405 -0.207 20 0 GBADMM CC(C)(C)[C@@H]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1O ZINC001573829296 949951254 /nfs/dbraw/zinc/95/12/54/949951254.db2.gz YDLULCONLNRLNW-NEPJUHHUSA-N -1 1 391.432 -0.225 20 0 GBADMM CC(C)(C)[C@H]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H]1O ZINC001573829297 949950178 /nfs/dbraw/zinc/95/01/78/949950178.db2.gz YDLULCONLNRLNW-NWDGAFQWSA-N -1 1 391.432 -0.225 20 0 GBADMM CC(C)(C)[C@H]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1O ZINC001573829298 949951654 /nfs/dbraw/zinc/95/16/54/949951654.db2.gz YDLULCONLNRLNW-RYUDHWBXSA-N -1 1 391.432 -0.225 20 0 GBADMM CC(C)(C)[C@@H]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H]1O ZINC001573829299 949951061 /nfs/dbraw/zinc/95/10/61/949951061.db2.gz YDLULCONLNRLNW-VXGBXAGGSA-N -1 1 391.432 -0.225 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573833696 950007920 /nfs/dbraw/zinc/00/79/20/950007920.db2.gz CHSVXJAYFXRAOJ-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573833696 950007899 /nfs/dbraw/zinc/00/78/99/950007899.db2.gz CHSVXJAYFXRAOJ-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573835590 950059249 /nfs/dbraw/zinc/05/92/49/950059249.db2.gz YVMKQCSHTHBLON-LLVKDONJSA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573835591 950056589 /nfs/dbraw/zinc/05/65/89/950056589.db2.gz YVMKQCSHTHBLON-NSHDSACASA-N -1 1 387.448 -0.356 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573836029 950067211 /nfs/dbraw/zinc/06/72/11/950067211.db2.gz DRUHSTTYFIHRLW-UHFFFAOYSA-N -1 1 387.448 -0.308 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573836151 950071042 /nfs/dbraw/zinc/07/10/42/950071042.db2.gz GLIKAYMPWAFRKH-PHIMTYICSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573836152 950072460 /nfs/dbraw/zinc/07/24/60/950072460.db2.gz GLIKAYMPWAFRKH-XYPYZODXSA-N -1 1 387.448 -0.310 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573836461 950080963 /nfs/dbraw/zinc/08/09/63/950080963.db2.gz LMYZRPVRIZIFTA-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573836461 950080939 /nfs/dbraw/zinc/08/09/39/950080939.db2.gz LMYZRPVRIZIFTA-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573836462 950082311 /nfs/dbraw/zinc/08/23/11/950082311.db2.gz LMYZRPVRIZIFTA-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573836462 950082285 /nfs/dbraw/zinc/08/22/85/950082285.db2.gz 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CC(C)(C)CC(=O)NCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573836715 950085734 /nfs/dbraw/zinc/08/57/34/950085734.db2.gz OQZCZWXWICWSFX-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573836715 950085711 /nfs/dbraw/zinc/08/57/11/950085711.db2.gz OQZCZWXWICWSFX-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573836810 950092922 /nfs/dbraw/zinc/09/29/22/950092922.db2.gz RWWNNKGAVNLKIJ-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573836811 950092508 /nfs/dbraw/zinc/09/25/08/950092508.db2.gz RWWNNKGAVNLKIJ-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573837114 950104083 /nfs/dbraw/zinc/10/40/83/950104083.db2.gz VQULVLRNZWVLPS-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573837114 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950540177 /nfs/dbraw/zinc/54/01/77/950540177.db2.gz DLTCXJKNIIPDAD-UHFFFAOYSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573868570 950540159 /nfs/dbraw/zinc/54/01/59/950540159.db2.gz DLTCXJKNIIPDAD-UHFFFAOYSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573868680 950545188 /nfs/dbraw/zinc/54/51/88/950545188.db2.gz FXDGZHQIOXPIRF-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573868680 950545172 /nfs/dbraw/zinc/54/51/72/950545172.db2.gz FXDGZHQIOXPIRF-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573868681 950547884 /nfs/dbraw/zinc/54/78/84/950547884.db2.gz FXDGZHQIOXPIRF-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573868681 950547865 /nfs/dbraw/zinc/54/78/65/950547865.db2.gz FXDGZHQIOXPIRF-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573868897 950553212 /nfs/dbraw/zinc/55/32/12/950553212.db2.gz HQUDFUGBULRWGG-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573868897 950553198 /nfs/dbraw/zinc/55/31/98/950553198.db2.gz HQUDFUGBULRWGG-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573868898 950552631 /nfs/dbraw/zinc/55/26/31/950552631.db2.gz HQUDFUGBULRWGG-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573868898 950552617 /nfs/dbraw/zinc/55/26/17/950552617.db2.gz HQUDFUGBULRWGG-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573868911 950552114 /nfs/dbraw/zinc/55/21/14/950552114.db2.gz IAVXPCIVSGJDCF-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573868911 950552104 /nfs/dbraw/zinc/55/21/04/950552104.db2.gz IAVXPCIVSGJDCF-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573868912 950553552 /nfs/dbraw/zinc/55/35/52/950553552.db2.gz IAVXPCIVSGJDCF-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573868912 950553535 /nfs/dbraw/zinc/55/35/35/950553535.db2.gz IAVXPCIVSGJDCF-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573869248 950562006 /nfs/dbraw/zinc/56/20/06/950562006.db2.gz MSRWXXQTBMNFCR-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573869249 950561909 /nfs/dbraw/zinc/56/19/09/950561909.db2.gz MSRWXXQTBMNFCR-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573869789 950576234 /nfs/dbraw/zinc/57/62/34/950576234.db2.gz CZRLXTSRLUCXFB-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573869789 950576217 /nfs/dbraw/zinc/57/62/17/950576217.db2.gz CZRLXTSRLUCXFB-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573869790 950577344 /nfs/dbraw/zinc/57/73/44/950577344.db2.gz CZRLXTSRLUCXFB-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573869790 950577331 /nfs/dbraw/zinc/57/73/31/950577331.db2.gz CZRLXTSRLUCXFB-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573870154 950587039 /nfs/dbraw/zinc/58/70/39/950587039.db2.gz FJNHJBQRBFVINA-UHFFFAOYSA-N -1 1 389.464 -0.290 20 0 GBADMM CC(C)(C)OCC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573870154 950587020 /nfs/dbraw/zinc/58/70/20/950587020.db2.gz FJNHJBQRBFVINA-UHFFFAOYSA-N -1 1 389.464 -0.290 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001573870175 950583970 /nfs/dbraw/zinc/58/39/70/950583970.db2.gz FXMIAKYOVMGSGA-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001573870175 950583957 /nfs/dbraw/zinc/58/39/57/950583957.db2.gz FXMIAKYOVMGSGA-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001573870176 950584021 /nfs/dbraw/zinc/58/40/21/950584021.db2.gz FXMIAKYOVMGSGA-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001573870176 950584001 /nfs/dbraw/zinc/58/40/01/950584001.db2.gz FXMIAKYOVMGSGA-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001573870330 950589461 /nfs/dbraw/zinc/58/94/61/950589461.db2.gz UXTOQWYYRJFSIE-GHMZBOCLSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001573870330 950589452 /nfs/dbraw/zinc/58/94/52/950589452.db2.gz UXTOQWYYRJFSIE-GHMZBOCLSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001573870332 950589718 /nfs/dbraw/zinc/58/97/18/950589718.db2.gz UXTOQWYYRJFSIE-MNOVXSKESA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001573870332 950589703 /nfs/dbraw/zinc/58/97/03/950589703.db2.gz UXTOQWYYRJFSIE-MNOVXSKESA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001573870333 950591466 /nfs/dbraw/zinc/59/14/66/950591466.db2.gz UXTOQWYYRJFSIE-QWRGUYRKSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001573870333 950591448 /nfs/dbraw/zinc/59/14/48/950591448.db2.gz UXTOQWYYRJFSIE-QWRGUYRKSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001573870334 950591673 /nfs/dbraw/zinc/59/16/73/950591673.db2.gz UXTOQWYYRJFSIE-WDEREUQCSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001573870334 950591660 /nfs/dbraw/zinc/59/16/60/950591660.db2.gz UXTOQWYYRJFSIE-WDEREUQCSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001573870398 950591721 /nfs/dbraw/zinc/59/17/21/950591721.db2.gz VRXVUZWZILLEOM-CMPLNLGQSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001573870398 950591711 /nfs/dbraw/zinc/59/17/11/950591711.db2.gz VRXVUZWZILLEOM-CMPLNLGQSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573870400 950591049 /nfs/dbraw/zinc/59/10/49/950591049.db2.gz VRXVUZWZILLEOM-JQWIXIFHSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573870400 950591034 /nfs/dbraw/zinc/59/10/34/950591034.db2.gz VRXVUZWZILLEOM-JQWIXIFHSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573870404 950591289 /nfs/dbraw/zinc/59/12/89/950591289.db2.gz VRXVUZWZILLEOM-PWSUYJOCSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573870404 950591274 /nfs/dbraw/zinc/59/12/74/950591274.db2.gz VRXVUZWZILLEOM-PWSUYJOCSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001573870407 950589024 /nfs/dbraw/zinc/58/90/24/950589024.db2.gz VRXVUZWZILLEOM-ZYHUDNBSSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001573870407 950589011 /nfs/dbraw/zinc/58/90/11/950589011.db2.gz VRXVUZWZILLEOM-ZYHUDNBSSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573870477 950595317 /nfs/dbraw/zinc/59/53/17/950595317.db2.gz WTIGVWYUROAENR-GHMZBOCLSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573870480 950595644 /nfs/dbraw/zinc/59/56/44/950595644.db2.gz WTIGVWYUROAENR-MNOVXSKESA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573870483 950594489 /nfs/dbraw/zinc/59/44/89/950594489.db2.gz WTIGVWYUROAENR-QWRGUYRKSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573870484 950594791 /nfs/dbraw/zinc/59/47/91/950594791.db2.gz WTIGVWYUROAENR-WDEREUQCSA-N -1 1 376.421 -0.472 20 0 GBADMM CC(C)(C)OCC(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573870498 950594392 /nfs/dbraw/zinc/59/43/92/950594392.db2.gz XDOPWNIMWJLGMU-UHFFFAOYSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573870498 950594380 /nfs/dbraw/zinc/59/43/80/950594380.db2.gz XDOPWNIMWJLGMU-UHFFFAOYSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573870509 950595517 /nfs/dbraw/zinc/59/55/17/950595517.db2.gz XGFBHVRXSDUYMK-UHFFFAOYSA-N -1 1 390.448 -0.029 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001573870524 950595784 /nfs/dbraw/zinc/59/57/84/950595784.db2.gz HBLCFPVKSBOHCY-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001573870524 950595776 /nfs/dbraw/zinc/59/57/76/950595776.db2.gz HBLCFPVKSBOHCY-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001573870525 950595861 /nfs/dbraw/zinc/59/58/61/950595861.db2.gz HBLCFPVKSBOHCY-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001573870525 950595850 /nfs/dbraw/zinc/59/58/50/950595850.db2.gz HBLCFPVKSBOHCY-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573870552 950597032 /nfs/dbraw/zinc/59/70/32/950597032.db2.gz IDPZUHYXYNHMDZ-UHFFFAOYSA-N -1 1 389.464 -0.290 20 0 GBADMM CC(C)(C)OCC(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573870552 950597009 /nfs/dbraw/zinc/59/70/09/950597009.db2.gz IDPZUHYXYNHMDZ-UHFFFAOYSA-N -1 1 389.464 -0.290 20 0 GBADMM CC(C)(C)OCC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573870592 950600523 /nfs/dbraw/zinc/60/05/23/950600523.db2.gz JQTQAMLZRJTTTL-UHFFFAOYSA-N -1 1 389.464 -0.290 20 0 GBADMM CC(C)(C)OCC(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573870592 950600502 /nfs/dbraw/zinc/60/05/02/950600502.db2.gz JQTQAMLZRJTTTL-UHFFFAOYSA-N -1 1 389.464 -0.290 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573870831 950600849 /nfs/dbraw/zinc/60/08/49/950600849.db2.gz XUOZNKTVXPPAEF-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573870831 950600830 /nfs/dbraw/zinc/60/08/30/950600830.db2.gz XUOZNKTVXPPAEF-KRWDZBQOSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573870832 950598575 /nfs/dbraw/zinc/59/85/75/950598575.db2.gz XUOZNKTVXPPAEF-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573870832 950598563 /nfs/dbraw/zinc/59/85/63/950598563.db2.gz XUOZNKTVXPPAEF-QGZVFWFLSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573870871 950605370 /nfs/dbraw/zinc/60/53/70/950605370.db2.gz YZDTWPKAGOOFCH-UHFFFAOYSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573870871 950605354 /nfs/dbraw/zinc/60/53/54/950605354.db2.gz YZDTWPKAGOOFCH-UHFFFAOYSA-N -1 1 390.448 -0.081 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573871052 950607682 /nfs/dbraw/zinc/60/76/82/950607682.db2.gz MNPRJNICEQTKCJ-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573871052 950607664 /nfs/dbraw/zinc/60/76/64/950607664.db2.gz MNPRJNICEQTKCJ-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573871053 950609595 /nfs/dbraw/zinc/60/95/95/950609595.db2.gz MNPRJNICEQTKCJ-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573871053 950609585 /nfs/dbraw/zinc/60/95/85/950609585.db2.gz MNPRJNICEQTKCJ-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573871341 950614445 /nfs/dbraw/zinc/61/44/45/950614445.db2.gz OHGAVBFITBJMME-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573871341 950614430 /nfs/dbraw/zinc/61/44/30/950614430.db2.gz OHGAVBFITBJMME-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573871342 950612477 /nfs/dbraw/zinc/61/24/77/950612477.db2.gz OHGAVBFITBJMME-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573871342 950612461 /nfs/dbraw/zinc/61/24/61/950612461.db2.gz OHGAVBFITBJMME-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573871393 950618210 /nfs/dbraw/zinc/61/82/10/950618210.db2.gz PPGPVXOLPNSDES-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573871394 950618987 /nfs/dbraw/zinc/61/89/87/950618987.db2.gz PPGPVXOLPNSDES-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573871525 950620848 /nfs/dbraw/zinc/62/08/48/950620848.db2.gz QZKRZSTVCUFFCQ-UHFFFAOYSA-N -1 1 390.448 -0.029 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573871526 950620339 /nfs/dbraw/zinc/62/03/39/950620339.db2.gz QZQJRCBHASBSDG-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573871526 950620323 /nfs/dbraw/zinc/62/03/23/950620323.db2.gz QZQJRCBHASBSDG-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573871527 950618022 /nfs/dbraw/zinc/61/80/22/950618022.db2.gz QZQJRCBHASBSDG-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573871527 950617985 /nfs/dbraw/zinc/61/79/85/950617985.db2.gz QZQJRCBHASBSDG-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573871629 950624703 /nfs/dbraw/zinc/62/47/03/950624703.db2.gz UJGUGKSRXRAKPF-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573871716 950624409 /nfs/dbraw/zinc/62/44/09/950624409.db2.gz UJGUGKSRXRAKPF-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573871726 950623924 /nfs/dbraw/zinc/62/39/24/950623924.db2.gz USJIUOFRAXIVJL-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573871726 950623912 /nfs/dbraw/zinc/62/39/12/950623912.db2.gz USJIUOFRAXIVJL-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573871727 950621985 /nfs/dbraw/zinc/62/19/85/950621985.db2.gz USJIUOFRAXIVJL-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573871727 950621966 /nfs/dbraw/zinc/62/19/66/950621966.db2.gz USJIUOFRAXIVJL-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573872064 950632045 /nfs/dbraw/zinc/63/20/45/950632045.db2.gz YQECQWLADCPJEI-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573872064 950632034 /nfs/dbraw/zinc/63/20/34/950632034.db2.gz YQECQWLADCPJEI-INIZCTEOSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573872066 950631085 /nfs/dbraw/zinc/63/10/85/950631085.db2.gz YQECQWLADCPJEI-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573872066 950631066 /nfs/dbraw/zinc/63/10/66/950631066.db2.gz YQECQWLADCPJEI-MRXNPFEDSA-N -1 1 376.421 -0.471 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001573872123 950631275 /nfs/dbraw/zinc/63/12/75/950631275.db2.gz ZSRYWOOPRSNKPL-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001573872123 950631261 /nfs/dbraw/zinc/63/12/61/950631261.db2.gz ZSRYWOOPRSNKPL-LLVKDONJSA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001573872124 950630617 /nfs/dbraw/zinc/63/06/17/950630617.db2.gz ZSRYWOOPRSNKPL-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001573872124 950630604 /nfs/dbraw/zinc/63/06/04/950630604.db2.gz ZSRYWOOPRSNKPL-NSHDSACASA-N -1 1 376.421 -0.207 20 0 GBADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573873692 950653667 /nfs/dbraw/zinc/65/36/67/950653667.db2.gz YJKVKQNXRDIMQN-MWLCHTKSSA-N -1 1 375.389 -0.284 20 0 GBADMM CC(C)(C)OC[C@@H]1CCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573873696 950653331 /nfs/dbraw/zinc/65/33/31/950653331.db2.gz YOJDDWBANPGYGP-JTQLQIEISA-N -1 1 377.405 -0.065 20 0 GBADMM CC(C)(C)OC[C@H]1CCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573873697 950658039 /nfs/dbraw/zinc/65/80/39/950658039.db2.gz YOJDDWBANPGYGP-SNVBAGLBSA-N -1 1 377.405 -0.065 20 0 GBADMM CC(C)(C)[S@](=O)CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573876112 950661992 /nfs/dbraw/zinc/66/19/92/950661992.db2.gz DKKOOYQCQMZFKU-AREMUKBSSA-N -1 1 383.434 -0.818 20 0 GBADMM CC(C)(C)[S@@](=O)CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573876113 950662459 /nfs/dbraw/zinc/66/24/59/950662459.db2.gz DKKOOYQCQMZFKU-SANMLTNESA-N -1 1 383.434 -0.818 20 0 GBADMM CC(C)(C)Oc1cccc(Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)n1 ZINC001573876226 950662355 /nfs/dbraw/zinc/66/23/55/950662355.db2.gz GODLBOGBSNJJRM-UHFFFAOYSA-N -1 1 387.400 -0.197 20 0 GBADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573876367 950671392 /nfs/dbraw/zinc/67/13/92/950671392.db2.gz MTDQKPZNCINRET-AOOOYVTPSA-N -1 1 392.420 -0.226 20 0 GBADMM CC(C)(C)O[C@H]1C[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573876527 950677154 /nfs/dbraw/zinc/67/71/54/950677154.db2.gz PFIHQZLNKKMSPW-MGCOHNPYSA-N -1 1 377.405 -0.019 20 0 GBADMM CC(C)(C)S(=O)(=O)CC(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573876741 950680845 /nfs/dbraw/zinc/68/08/45/950680845.db2.gz UOCJDBMZKAKPLU-UHFFFAOYSA-N -1 1 382.450 -0.790 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)[nH]n1 ZINC001573879494 950721462 /nfs/dbraw/zinc/72/14/62/950721462.db2.gz CLSPASWJUHNEON-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)[nH]n1 ZINC001573879494 950721451 /nfs/dbraw/zinc/72/14/51/950721451.db2.gz CLSPASWJUHNEON-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)[nH]n1 ZINC001573879495 950723999 /nfs/dbraw/zinc/72/39/99/950723999.db2.gz CLSPASWJUHNEON-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)[nH]n1 ZINC001573879495 950723984 /nfs/dbraw/zinc/72/39/84/950723984.db2.gz CLSPASWJUHNEON-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001573879665 950726387 /nfs/dbraw/zinc/72/63/87/950726387.db2.gz IEZHSXWMKCBIME-SECBINFHSA-N -1 1 386.420 -0.698 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001573879666 950729003 /nfs/dbraw/zinc/72/90/03/950729003.db2.gz IEZHSXWMKCBIME-VIFPVBQESA-N -1 1 386.420 -0.698 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)[nH]n1 ZINC001573879747 950730931 /nfs/dbraw/zinc/73/09/31/950730931.db2.gz KRCIPIMNZFTRPY-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)[nH]n1 ZINC001573879747 950730918 /nfs/dbraw/zinc/73/09/18/950730918.db2.gz KRCIPIMNZFTRPY-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)[nH]n1 ZINC001573879748 950732065 /nfs/dbraw/zinc/73/20/65/950732065.db2.gz KRCIPIMNZFTRPY-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)[nH]n1 ZINC001573879748 950732045 /nfs/dbraw/zinc/73/20/45/950732045.db2.gz KRCIPIMNZFTRPY-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)[nH]n1 ZINC001573879753 950732295 /nfs/dbraw/zinc/73/22/95/950732295.db2.gz KUUFJWNRLYQEJX-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)[nH]n1 ZINC001573879753 950732280 /nfs/dbraw/zinc/73/22/80/950732280.db2.gz KUUFJWNRLYQEJX-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)[nH]n1 ZINC001573879754 950733049 /nfs/dbraw/zinc/73/30/49/950733049.db2.gz KUUFJWNRLYQEJX-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)[nH]n1 ZINC001573879754 950733038 /nfs/dbraw/zinc/73/30/38/950733038.db2.gz KUUFJWNRLYQEJX-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)[nH]n1 ZINC001573879766 950733241 /nfs/dbraw/zinc/73/32/41/950733241.db2.gz LKAHZHHCUJUWEB-VXGBXAGGSA-N -1 1 398.431 -0.343 20 0 GBADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)[nH]n1 ZINC001573879766 950733227 /nfs/dbraw/zinc/73/32/27/950733227.db2.gz LKAHZHHCUJUWEB-VXGBXAGGSA-N -1 1 398.431 -0.343 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)[nH]n1 ZINC001573879767 950733088 /nfs/dbraw/zinc/73/30/88/950733088.db2.gz LNHMQNPQJXRNMV-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)[nH]n1 ZINC001573879767 950733077 /nfs/dbraw/zinc/73/30/77/950733077.db2.gz LNHMQNPQJXRNMV-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)[nH]n1 ZINC001573879768 950731461 /nfs/dbraw/zinc/73/14/61/950731461.db2.gz LNHMQNPQJXRNMV-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)[nH]n1 ZINC001573879768 950731443 /nfs/dbraw/zinc/73/14/43/950731443.db2.gz LNHMQNPQJXRNMV-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)no1 ZINC001573879779 950731359 /nfs/dbraw/zinc/73/13/59/950731359.db2.gz MHCVNVNTRWBNSD-NEPJUHHUSA-N -1 1 399.415 -0.078 20 0 GBADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)no1 ZINC001573879779 950731351 /nfs/dbraw/zinc/73/13/51/950731351.db2.gz MHCVNVNTRWBNSD-NEPJUHHUSA-N -1 1 399.415 -0.078 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001573879928 950735205 /nfs/dbraw/zinc/73/52/05/950735205.db2.gz OVTFEPHLMDQOFH-SECBINFHSA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001573879929 950737308 /nfs/dbraw/zinc/73/73/08/950737308.db2.gz OVTFEPHLMDQOFH-VIFPVBQESA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)[nH]n1 ZINC001573880376 950746110 /nfs/dbraw/zinc/74/61/10/950746110.db2.gz XTEUDBPXULPNBS-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)[nH]n1 ZINC001573880376 950746091 /nfs/dbraw/zinc/74/60/91/950746091.db2.gz XTEUDBPXULPNBS-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)[nH]n1 ZINC001573880377 950747012 /nfs/dbraw/zinc/74/70/12/950747012.db2.gz XTEUDBPXULPNBS-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)[nH]n1 ZINC001573880377 950746997 /nfs/dbraw/zinc/74/69/97/950746997.db2.gz XTEUDBPXULPNBS-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001573880383 950745238 /nfs/dbraw/zinc/74/52/38/950745238.db2.gz YEQOTOVRQSFDNT-SECBINFHSA-N -1 1 386.420 -0.698 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001573880384 950747293 /nfs/dbraw/zinc/74/72/93/950747293.db2.gz YEQOTOVRQSFDNT-VIFPVBQESA-N -1 1 386.420 -0.698 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001573880392 950747775 /nfs/dbraw/zinc/74/77/75/950747775.db2.gz YNNRSFAPHIYETE-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001573880392 950747757 /nfs/dbraw/zinc/74/77/57/950747757.db2.gz YNNRSFAPHIYETE-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001573880393 950746767 /nfs/dbraw/zinc/74/67/67/950746767.db2.gz YNNRSFAPHIYETE-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001573880393 950746756 /nfs/dbraw/zinc/74/67/56/950746756.db2.gz YNNRSFAPHIYETE-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001573880408 950743649 /nfs/dbraw/zinc/74/36/49/950743649.db2.gz ZRBYRROHDWLQMA-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001573880408 950743641 /nfs/dbraw/zinc/74/36/41/950743641.db2.gz ZRBYRROHDWLQMA-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001573880409 950744755 /nfs/dbraw/zinc/74/47/55/950744755.db2.gz ZRBYRROHDWLQMA-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001573880409 950744732 /nfs/dbraw/zinc/74/47/32/950744732.db2.gz ZRBYRROHDWLQMA-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1cc2n(n1)CCN(C(=O)Cn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)C2 ZINC001573882162 950773885 /nfs/dbraw/zinc/77/38/85/950773885.db2.gz VMVAYHLARXPFRU-UHFFFAOYSA-N -1 1 399.415 -0.335 20 0 GBADMM CC(C)(C)c1csc(Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)n1 ZINC001573883987 950778715 /nfs/dbraw/zinc/77/87/15/950778715.db2.gz AKIRWJNGNWLAMY-UHFFFAOYSA-N -1 1 377.430 -0.015 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573884031 950782063 /nfs/dbraw/zinc/78/20/63/950782063.db2.gz DGDRMOVGKIEJHS-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573884031 950782047 /nfs/dbraw/zinc/78/20/47/950782047.db2.gz DGDRMOVGKIEJHS-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573884032 950781647 /nfs/dbraw/zinc/78/16/47/950781647.db2.gz DGDRMOVGKIEJHS-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573884032 950781643 /nfs/dbraw/zinc/78/16/43/950781643.db2.gz DGDRMOVGKIEJHS-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001573884035 950780946 /nfs/dbraw/zinc/78/09/46/950780946.db2.gz DILIRHUZBIUXPP-MNOVXSKESA-N -1 1 398.431 -0.343 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001573884035 950780927 /nfs/dbraw/zinc/78/09/27/950780927.db2.gz DILIRHUZBIUXPP-MNOVXSKESA-N -1 1 398.431 -0.343 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573884038 950782216 /nfs/dbraw/zinc/78/22/16/950782216.db2.gz DRGLQEIQMNMLSJ-SECBINFHSA-N -1 1 386.420 -0.698 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573884039 950780869 /nfs/dbraw/zinc/78/08/69/950780869.db2.gz DRGLQEIQMNMLSJ-VIFPVBQESA-N -1 1 386.420 -0.698 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573884102 950780577 /nfs/dbraw/zinc/78/05/77/950780577.db2.gz IEHCGSQYCXGJSB-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573884102 950780561 /nfs/dbraw/zinc/78/05/61/950780561.db2.gz IEHCGSQYCXGJSB-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573884103 950783191 /nfs/dbraw/zinc/78/31/91/950783191.db2.gz IEHCGSQYCXGJSB-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573884103 950783166 /nfs/dbraw/zinc/78/31/66/950783166.db2.gz IEHCGSQYCXGJSB-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573884159 950787339 /nfs/dbraw/zinc/78/73/39/950787339.db2.gz KMWORAAUKLYCJC-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573884159 950787314 /nfs/dbraw/zinc/78/73/14/950787314.db2.gz KMWORAAUKLYCJC-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573884160 950786010 /nfs/dbraw/zinc/78/60/10/950786010.db2.gz KMWORAAUKLYCJC-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573884160 950785993 /nfs/dbraw/zinc/78/59/93/950785993.db2.gz KMWORAAUKLYCJC-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573884218 950791521 /nfs/dbraw/zinc/79/15/21/950791521.db2.gz AXGKBNYSQPKLQT-SECBINFHSA-N -1 1 386.420 -0.698 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573884220 950792189 /nfs/dbraw/zinc/79/21/89/950792189.db2.gz AXGKBNYSQPKLQT-VIFPVBQESA-N -1 1 386.420 -0.698 20 0 GBADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001573884268 950791101 /nfs/dbraw/zinc/79/11/01/950791101.db2.gz CBJOEHMXVBYVRU-SECBINFHSA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001573884269 950790521 /nfs/dbraw/zinc/79/05/21/950790521.db2.gz CBJOEHMXVBYVRU-VIFPVBQESA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001573884281 950793194 /nfs/dbraw/zinc/79/31/94/950793194.db2.gz CFKZOLYVFREBOC-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001573884281 950793179 /nfs/dbraw/zinc/79/31/79/950793179.db2.gz CFKZOLYVFREBOC-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001573884283 950792731 /nfs/dbraw/zinc/79/27/31/950792731.db2.gz CFKZOLYVFREBOC-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001573884283 950792724 /nfs/dbraw/zinc/79/27/24/950792724.db2.gz CFKZOLYVFREBOC-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573884337 950795585 /nfs/dbraw/zinc/79/55/85/950795585.db2.gz CXCLLZFEIRBHHK-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573884337 950795574 /nfs/dbraw/zinc/79/55/74/950795574.db2.gz CXCLLZFEIRBHHK-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573884338 950796894 /nfs/dbraw/zinc/79/68/94/950796894.db2.gz CXCLLZFEIRBHHK-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573884338 950796881 /nfs/dbraw/zinc/79/68/81/950796881.db2.gz CXCLLZFEIRBHHK-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573884341 950795047 /nfs/dbraw/zinc/79/50/47/950795047.db2.gz DDCUWVMDYPCGLJ-UHFFFAOYSA-N -1 1 385.388 -0.153 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573884553 950794585 /nfs/dbraw/zinc/79/45/85/950794585.db2.gz NIBKPNIFMQJMJW-GHMZBOCLSA-N -1 1 398.431 -0.343 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573884741 950805013 /nfs/dbraw/zinc/80/50/13/950805013.db2.gz OKURTAYANKMKCL-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573884741 950804991 /nfs/dbraw/zinc/80/49/91/950804991.db2.gz OKURTAYANKMKCL-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573884742 950806547 /nfs/dbraw/zinc/80/65/47/950806547.db2.gz OKURTAYANKMKCL-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573884742 950806524 /nfs/dbraw/zinc/80/65/24/950806524.db2.gz OKURTAYANKMKCL-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573884776 950805075 /nfs/dbraw/zinc/80/50/75/950805075.db2.gz PZURGLPGKXDAHA-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573884776 950805054 /nfs/dbraw/zinc/80/50/54/950805054.db2.gz PZURGLPGKXDAHA-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573884777 950807406 /nfs/dbraw/zinc/80/74/06/950807406.db2.gz PZURGLPGKXDAHA-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573884777 950807379 /nfs/dbraw/zinc/80/73/79/950807379.db2.gz PZURGLPGKXDAHA-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573885012 950812146 /nfs/dbraw/zinc/81/21/46/950812146.db2.gz LWFGOSWJOGAATL-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573885012 950812126 /nfs/dbraw/zinc/81/21/26/950812126.db2.gz LWFGOSWJOGAATL-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573885013 950810776 /nfs/dbraw/zinc/81/07/76/950810776.db2.gz LWFGOSWJOGAATL-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573885013 950810750 /nfs/dbraw/zinc/81/07/50/950810750.db2.gz LWFGOSWJOGAATL-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1ncc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cn1 ZINC001573885024 950811351 /nfs/dbraw/zinc/81/13/51/950811351.db2.gz MIYGMWGUOIIJMV-UHFFFAOYSA-N -1 1 385.388 -0.354 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573885027 950810594 /nfs/dbraw/zinc/81/05/94/950810594.db2.gz MSNFITQPXRZRQT-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573885027 950810576 /nfs/dbraw/zinc/81/05/76/950810576.db2.gz MSNFITQPXRZRQT-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573885028 950810514 /nfs/dbraw/zinc/81/05/14/950810514.db2.gz MSNFITQPXRZRQT-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573885028 950810501 /nfs/dbraw/zinc/81/05/01/950810501.db2.gz MSNFITQPXRZRQT-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nnc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001573885096 950816115 /nfs/dbraw/zinc/81/61/15/950816115.db2.gz OJSXMFHTQCHXRP-UHFFFAOYSA-N -1 1 391.417 -0.406 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573885418 950823092 /nfs/dbraw/zinc/82/30/92/950823092.db2.gz WBCMOEFDSGONIC-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573885418 950823066 /nfs/dbraw/zinc/82/30/66/950823066.db2.gz WBCMOEFDSGONIC-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573885419 950823348 /nfs/dbraw/zinc/82/33/48/950823348.db2.gz WBCMOEFDSGONIC-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573885419 950823326 /nfs/dbraw/zinc/82/33/26/950823326.db2.gz WBCMOEFDSGONIC-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nnc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001573885434 950821627 /nfs/dbraw/zinc/82/16/27/950821627.db2.gz RLCACKGFJZNMBH-UHFFFAOYSA-N -1 1 391.417 -0.292 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001573885563 950832458 /nfs/dbraw/zinc/83/24/58/950832458.db2.gz ZOVWCRKEMAEIAY-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001573885563 950832436 /nfs/dbraw/zinc/83/24/36/950832436.db2.gz ZOVWCRKEMAEIAY-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001573885565 950833833 /nfs/dbraw/zinc/83/38/33/950833833.db2.gz ZOVWCRKEMAEIAY-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001573885565 950833810 /nfs/dbraw/zinc/83/38/10/950833810.db2.gz ZOVWCRKEMAEIAY-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001573885889 950837537 /nfs/dbraw/zinc/83/75/37/950837537.db2.gz WICTWGHSMQTWII-SECBINFHSA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001573885891 950836459 /nfs/dbraw/zinc/83/64/59/950836459.db2.gz WICTWGHSMQTWII-VIFPVBQESA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573885930 950837962 /nfs/dbraw/zinc/83/79/62/950837962.db2.gz XWWHGZINEOKYIN-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573885930 950837942 /nfs/dbraw/zinc/83/79/42/950837942.db2.gz XWWHGZINEOKYIN-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573885933 950838893 /nfs/dbraw/zinc/83/88/93/950838893.db2.gz XWWHGZINEOKYIN-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573885933 950838867 /nfs/dbraw/zinc/83/88/67/950838867.db2.gz XWWHGZINEOKYIN-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573885947 950841251 /nfs/dbraw/zinc/84/12/51/950841251.db2.gz YNJUPMJGQZSRTM-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573885947 950841234 /nfs/dbraw/zinc/84/12/34/950841234.db2.gz YNJUPMJGQZSRTM-SECBINFHSA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573885951 950838465 /nfs/dbraw/zinc/83/84/65/950838465.db2.gz YNJUPMJGQZSRTM-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573885951 950838440 /nfs/dbraw/zinc/83/84/40/950838440.db2.gz YNJUPMJGQZSRTM-VIFPVBQESA-N -1 1 386.420 -0.120 20 0 GBADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CN2CCS(=O)(=O)CC2)n1 ZINC001573888009 950861648 /nfs/dbraw/zinc/86/16/48/950861648.db2.gz NNUFUYKOHDAJBG-UHFFFAOYSA-N -1 1 382.450 -0.513 20 0 GBADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CN2CCS(=O)(=O)CC2)n1 ZINC001573888009 950861630 /nfs/dbraw/zinc/86/16/30/950861630.db2.gz NNUFUYKOHDAJBG-UHFFFAOYSA-N -1 1 382.450 -0.513 20 0 GBADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573888593 950870108 /nfs/dbraw/zinc/87/01/08/950870108.db2.gz WSHYVXLTUVAYJN-SECBINFHSA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573888594 950871664 /nfs/dbraw/zinc/87/16/64/950871664.db2.gz WSHYVXLTUVAYJN-VIFPVBQESA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573888737 950876109 /nfs/dbraw/zinc/87/61/09/950876109.db2.gz ZSMLBTUIINYYRD-SECBINFHSA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573888738 950875471 /nfs/dbraw/zinc/87/54/71/950875471.db2.gz ZSMLBTUIINYYRD-VIFPVBQESA-N -1 1 387.404 -0.433 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573893336 950881968 /nfs/dbraw/zinc/88/19/68/950881968.db2.gz AITISWYQVHKFPL-VIFPVBQESA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573893336 950881952 /nfs/dbraw/zinc/88/19/52/950881952.db2.gz AITISWYQVHKFPL-VIFPVBQESA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893388 950879041 /nfs/dbraw/zinc/87/90/41/950879041.db2.gz CWZNJOJCQANLJG-SECBINFHSA-N -1 1 384.408 -0.853 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893389 950878306 /nfs/dbraw/zinc/87/83/06/950878306.db2.gz CWZNJOJCQANLJG-VIFPVBQESA-N -1 1 384.408 -0.853 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001573893394 950880186 /nfs/dbraw/zinc/88/01/86/950880186.db2.gz DDVZRWDXZUBGGS-PLNGDYQASA-N -1 1 384.408 -0.204 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001573893394 950880167 /nfs/dbraw/zinc/88/01/67/950880167.db2.gz DDVZRWDXZUBGGS-PLNGDYQASA-N -1 1 384.408 -0.204 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001573893395 950878115 /nfs/dbraw/zinc/87/81/15/950878115.db2.gz DDVZRWDXZUBGGS-SNAWJCMRSA-N -1 1 384.408 -0.204 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001573893395 950878096 /nfs/dbraw/zinc/87/80/96/950878096.db2.gz DDVZRWDXZUBGGS-SNAWJCMRSA-N -1 1 384.408 -0.204 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001573893396 950880707 /nfs/dbraw/zinc/88/07/07/950880707.db2.gz DDWRBVWDWZYPBP-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001573893396 950880702 /nfs/dbraw/zinc/88/07/02/950880702.db2.gz DDWRBVWDWZYPBP-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001573893408 950881791 /nfs/dbraw/zinc/88/17/91/950881791.db2.gz DPUUBTQIZAGPOI-UHFFFAOYSA-N -1 1 384.408 -0.227 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001573893408 950881774 /nfs/dbraw/zinc/88/17/74/950881774.db2.gz DPUUBTQIZAGPOI-UHFFFAOYSA-N -1 1 384.408 -0.227 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001573893409 950879429 /nfs/dbraw/zinc/87/94/29/950879429.db2.gz DQGCPOJMUCRIRF-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001573893409 950879412 /nfs/dbraw/zinc/87/94/12/950879412.db2.gz DQGCPOJMUCRIRF-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893467 950882953 /nfs/dbraw/zinc/88/29/53/950882953.db2.gz HMEPYRBZLPQBPH-AOOOYVTPSA-N -1 1 383.420 -0.202 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893468 950886103 /nfs/dbraw/zinc/88/61/03/950886103.db2.gz HMEPYRBZLPQBPH-MGCOHNPYSA-N -1 1 383.420 -0.202 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893491 950886404 /nfs/dbraw/zinc/88/64/04/950886404.db2.gz IDNBRRHZIGJHSZ-SECBINFHSA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893491 950886385 /nfs/dbraw/zinc/88/63/85/950886385.db2.gz IDNBRRHZIGJHSZ-SECBINFHSA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893492 950883909 /nfs/dbraw/zinc/88/39/09/950883909.db2.gz IDNBRRHZIGJHSZ-VIFPVBQESA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893492 950883895 /nfs/dbraw/zinc/88/38/95/950883895.db2.gz IDNBRRHZIGJHSZ-VIFPVBQESA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893544 950889062 /nfs/dbraw/zinc/88/90/62/950889062.db2.gz KHOMMPKDWZLNGX-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893544 950889048 /nfs/dbraw/zinc/88/90/48/950889048.db2.gz KHOMMPKDWZLNGX-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893545 950888057 /nfs/dbraw/zinc/88/80/57/950888057.db2.gz KHOMMPKDWZLNGX-VIFPVBQESA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893545 950888046 /nfs/dbraw/zinc/88/80/46/950888046.db2.gz KHOMMPKDWZLNGX-VIFPVBQESA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573893617 950896153 /nfs/dbraw/zinc/89/61/53/950896153.db2.gz NNFHXVFUQRUBKU-UHFFFAOYSA-N -1 1 384.408 -0.227 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001573893617 950896140 /nfs/dbraw/zinc/89/61/40/950896140.db2.gz NNFHXVFUQRUBKU-UHFFFAOYSA-N -1 1 384.408 -0.227 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573893622 950893139 /nfs/dbraw/zinc/89/31/39/950893139.db2.gz NREFFPWTRZUAEK-DTORHVGOSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573893622 950893123 /nfs/dbraw/zinc/89/31/23/950893123.db2.gz NREFFPWTRZUAEK-DTORHVGOSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573893623 950893050 /nfs/dbraw/zinc/89/30/50/950893050.db2.gz NREFFPWTRZUAEK-KYZUINATSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573893623 950893029 /nfs/dbraw/zinc/89/30/29/950893029.db2.gz NREFFPWTRZUAEK-KYZUINATSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893651 950895740 /nfs/dbraw/zinc/89/57/40/950895740.db2.gz PMHWFYQEJATGDA-DTORHVGOSA-N -1 1 384.408 -0.807 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893652 950893232 /nfs/dbraw/zinc/89/32/32/950893232.db2.gz PMHWFYQEJATGDA-KYZUINATSA-N -1 1 384.408 -0.807 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573893657 950896198 /nfs/dbraw/zinc/89/61/98/950896198.db2.gz PTRBKSNOJXQXIT-SECBINFHSA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573893657 950896187 /nfs/dbraw/zinc/89/61/87/950896187.db2.gz PTRBKSNOJXQXIT-SECBINFHSA-N -1 1 384.408 -0.275 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573893658 950895107 /nfs/dbraw/zinc/89/51/07/950895107.db2.gz PVCFYSYNGNRJTP-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001573893661 950893879 /nfs/dbraw/zinc/89/38/79/950893879.db2.gz PZUKVXAISMSSLH-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001573893661 950893860 /nfs/dbraw/zinc/89/38/60/950893860.db2.gz PZUKVXAISMSSLH-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573893670 950895920 /nfs/dbraw/zinc/89/59/20/950895920.db2.gz QTGAKQBDZXTNMD-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573893670 950895909 /nfs/dbraw/zinc/89/59/09/950895909.db2.gz QTGAKQBDZXTNMD-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nccc1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573893692 950897102 /nfs/dbraw/zinc/89/71/02/950897102.db2.gz RJCPPJKZLXHWPS-UHFFFAOYSA-N -1 1 388.392 -0.098 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893716 950898630 /nfs/dbraw/zinc/89/86/30/950898630.db2.gz SREZBSGYNRCGPA-DTORHVGOSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573893716 950898619 /nfs/dbraw/zinc/89/86/19/950898619.db2.gz SREZBSGYNRCGPA-DTORHVGOSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893717 950900875 /nfs/dbraw/zinc/90/08/75/950900875.db2.gz SREZBSGYNRCGPA-KYZUINATSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573893717 950900852 /nfs/dbraw/zinc/90/08/52/950900852.db2.gz SREZBSGYNRCGPA-KYZUINATSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573893718 950899987 /nfs/dbraw/zinc/89/99/87/950899987.db2.gz SRKPDLJXXHSRMU-UHFFFAOYSA-N -1 1 384.408 -0.805 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893723 950899859 /nfs/dbraw/zinc/89/98/59/950899859.db2.gz SXAGROPAPQUDBD-KYZUINATSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893723 950899847 /nfs/dbraw/zinc/89/98/47/950899847.db2.gz SXAGROPAPQUDBD-KYZUINATSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573893727 950901178 /nfs/dbraw/zinc/90/11/78/950901178.db2.gz SZUQEDMVYNEDMV-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001573893727 950901154 /nfs/dbraw/zinc/90/11/54/950901154.db2.gz SZUQEDMVYNEDMV-UHFFFAOYSA-N -1 1 384.408 -0.639 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001573893808 950903228 /nfs/dbraw/zinc/90/32/28/950903228.db2.gz XNRNCCYSLUBVJM-UHFFFAOYSA-N -1 1 384.408 -0.227 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001573893808 950903204 /nfs/dbraw/zinc/90/32/04/950903204.db2.gz XNRNCCYSLUBVJM-UHFFFAOYSA-N -1 1 384.408 -0.227 20 0 GBADMM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573893818 950904650 /nfs/dbraw/zinc/90/46/50/950904650.db2.gz YAMOFLVEBIJBSW-UHFFFAOYSA-N -1 1 383.420 -0.200 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893830 950903098 /nfs/dbraw/zinc/90/30/98/950903098.db2.gz YRFJWFWPCZSUME-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893831 950903329 /nfs/dbraw/zinc/90/33/29/950903329.db2.gz YRFJWFWPCZSUME-VIFPVBQESA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573893833 950907229 /nfs/dbraw/zinc/90/72/29/950907229.db2.gz YTSNIHPAYIKQRB-KYZUINATSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573893833 950907220 /nfs/dbraw/zinc/90/72/20/950907220.db2.gz YTSNIHPAYIKQRB-KYZUINATSA-N -1 1 384.408 -0.229 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573893842 950909816 /nfs/dbraw/zinc/90/98/16/950909816.db2.gz ZCPSKNVIRAKGPO-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573893842 950909800 /nfs/dbraw/zinc/90/98/00/950909800.db2.gz ZCPSKNVIRAKGPO-SECBINFHSA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573893843 950910670 /nfs/dbraw/zinc/91/06/70/950910670.db2.gz ZCPSKNVIRAKGPO-VIFPVBQESA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573893843 950910658 /nfs/dbraw/zinc/91/06/58/950910658.db2.gz ZCPSKNVIRAKGPO-VIFPVBQESA-N -1 1 384.408 -0.593 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001573893855 950909034 /nfs/dbraw/zinc/90/90/34/950909034.db2.gz ZPUFGNSRNPZXPG-UHFFFAOYSA-N -1 1 384.408 -0.227 20 0 GBADMM CC(C)(C)n1nnc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001573893855 950909017 /nfs/dbraw/zinc/90/90/17/950909017.db2.gz ZPUFGNSRNPZXPG-UHFFFAOYSA-N -1 1 384.408 -0.227 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573893872 950907318 /nfs/dbraw/zinc/90/73/18/950907318.db2.gz AAUDQLRJOPHFCS-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573893872 950907304 /nfs/dbraw/zinc/90/73/04/950907304.db2.gz AAUDQLRJOPHFCS-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573893873 950910220 /nfs/dbraw/zinc/91/02/20/950910220.db2.gz AAUDQLRJOPHFCS-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573893873 950910205 /nfs/dbraw/zinc/91/02/05/950910205.db2.gz AAUDQLRJOPHFCS-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001573893898 950910830 /nfs/dbraw/zinc/91/08/30/950910830.db2.gz BEIKRPIIEQUYDF-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001573893899 950909664 /nfs/dbraw/zinc/90/96/64/950909664.db2.gz BFDYCKDGTPICMT-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001573893899 950909645 /nfs/dbraw/zinc/90/96/45/950909645.db2.gz BFDYCKDGTPICMT-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001573893900 950910960 /nfs/dbraw/zinc/91/09/60/950910960.db2.gz BFDYCKDGTPICMT-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001573893900 950910945 /nfs/dbraw/zinc/91/09/45/950910945.db2.gz BFDYCKDGTPICMT-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001573893920 950912344 /nfs/dbraw/zinc/91/23/44/950912344.db2.gz CDZJVGFSNLZKNA-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001573893920 950912333 /nfs/dbraw/zinc/91/23/33/950912333.db2.gz CDZJVGFSNLZKNA-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001573893921 950913045 /nfs/dbraw/zinc/91/30/45/950913045.db2.gz CDZJVGFSNLZKNA-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001573893921 950913029 /nfs/dbraw/zinc/91/30/29/950913029.db2.gz CDZJVGFSNLZKNA-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573893961 950913282 /nfs/dbraw/zinc/91/32/82/950913282.db2.gz FSPIVJJIFLHSSZ-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573893961 950913265 /nfs/dbraw/zinc/91/32/65/950913265.db2.gz FSPIVJJIFLHSSZ-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573893962 950912304 /nfs/dbraw/zinc/91/23/04/950912304.db2.gz FSPIVJJIFLHSSZ-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573893962 950912291 /nfs/dbraw/zinc/91/22/91/950912291.db2.gz FSPIVJJIFLHSSZ-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001573893964 950915574 /nfs/dbraw/zinc/91/55/74/950915574.db2.gz FZCUYZZKDJYICO-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001573893964 950915552 /nfs/dbraw/zinc/91/55/52/950915552.db2.gz FZCUYZZKDJYICO-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001573893965 950913550 /nfs/dbraw/zinc/91/35/50/950913550.db2.gz FZCUYZZKDJYICO-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001573893965 950913535 /nfs/dbraw/zinc/91/35/35/950913535.db2.gz FZCUYZZKDJYICO-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573893974 950913140 /nfs/dbraw/zinc/91/31/40/950913140.db2.gz GZKWMDXTSOOOQL-LLVKDONJSA-N -1 1 386.420 -0.767 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573893975 950914465 /nfs/dbraw/zinc/91/44/65/950914465.db2.gz GZKWMDXTSOOOQL-NSHDSACASA-N -1 1 386.420 -0.767 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001573893991 950915753 /nfs/dbraw/zinc/91/57/53/950915753.db2.gz HYDFRPYZVKFVQV-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001573893991 950915741 /nfs/dbraw/zinc/91/57/41/950915741.db2.gz HYDFRPYZVKFVQV-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573893994 950916747 /nfs/dbraw/zinc/91/67/47/950916747.db2.gz HYICMUKLGGPNLB-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573893994 950916736 /nfs/dbraw/zinc/91/67/36/950916736.db2.gz HYICMUKLGGPNLB-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573893995 950917479 /nfs/dbraw/zinc/91/74/79/950917479.db2.gz HYICMUKLGGPNLB-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573893995 950917471 /nfs/dbraw/zinc/91/74/71/950917471.db2.gz HYICMUKLGGPNLB-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573894023 950919428 /nfs/dbraw/zinc/91/94/28/950919428.db2.gz JBQWPNFCXBHRMO-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001573894023 950919413 /nfs/dbraw/zinc/91/94/13/950919413.db2.gz JBQWPNFCXBHRMO-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573894042 950917275 /nfs/dbraw/zinc/91/72/75/950917275.db2.gz JXGFRGFUFXNUHP-LLVKDONJSA-N -1 1 386.420 -0.767 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001573894043 950917216 /nfs/dbraw/zinc/91/72/16/950917216.db2.gz JXGFRGFUFXNUHP-NSHDSACASA-N -1 1 386.420 -0.767 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573894050 950920347 /nfs/dbraw/zinc/92/03/47/950920347.db2.gz KFERVAVJUUPFSU-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573894050 950920331 /nfs/dbraw/zinc/92/03/31/950920331.db2.gz KFERVAVJUUPFSU-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573894051 950918305 /nfs/dbraw/zinc/91/83/05/950918305.db2.gz KFERVAVJUUPFSU-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573894051 950918284 /nfs/dbraw/zinc/91/82/84/950918284.db2.gz KFERVAVJUUPFSU-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nn1 ZINC001573894057 950917843 /nfs/dbraw/zinc/91/78/43/950917843.db2.gz KOFYHFAILAMPDJ-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nn1 ZINC001573894057 950917833 /nfs/dbraw/zinc/91/78/33/950917833.db2.gz KOFYHFAILAMPDJ-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cn1 ZINC001573894100 950919562 /nfs/dbraw/zinc/91/95/62/950919562.db2.gz LSGLCJFMNZBGGT-UHFFFAOYSA-N -1 1 388.392 -0.098 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001573894147 950922329 /nfs/dbraw/zinc/92/23/29/950922329.db2.gz NTPPTJVNSWQVEV-JTQLQIEISA-N -1 1 386.420 -0.767 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001573894148 950924897 /nfs/dbraw/zinc/92/48/97/950924897.db2.gz NTPPTJVNSWQVEV-SNVBAGLBSA-N -1 1 386.420 -0.767 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001573894149 950925134 /nfs/dbraw/zinc/92/51/34/950925134.db2.gz NUFBDSFXZYSYAL-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001573894149 950925119 /nfs/dbraw/zinc/92/51/19/950925119.db2.gz NUFBDSFXZYSYAL-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001573894150 950922220 /nfs/dbraw/zinc/92/22/20/950922220.db2.gz NUFBDSFXZYSYAL-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001573894150 950922197 /nfs/dbraw/zinc/92/21/97/950922197.db2.gz NUFBDSFXZYSYAL-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001573894169 950923357 /nfs/dbraw/zinc/92/33/57/950923357.db2.gz OWXYMQRMSWESQT-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001573894169 950923348 /nfs/dbraw/zinc/92/33/48/950923348.db2.gz OWXYMQRMSWESQT-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001573894170 950921787 /nfs/dbraw/zinc/92/17/87/950921787.db2.gz OWXYMQRMSWESQT-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001573894170 950921776 /nfs/dbraw/zinc/92/17/76/950921776.db2.gz OWXYMQRMSWESQT-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573894179 950922293 /nfs/dbraw/zinc/92/22/93/950922293.db2.gz PWWIQQKXIDWFGE-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573894369 950926974 /nfs/dbraw/zinc/92/69/74/950926974.db2.gz QVNSGQDKPBJELB-JTQLQIEISA-N -1 1 383.420 -0.248 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573894372 950927319 /nfs/dbraw/zinc/92/73/19/950927319.db2.gz QVNSGQDKPBJELB-SNVBAGLBSA-N -1 1 383.420 -0.248 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001573894418 950927879 /nfs/dbraw/zinc/92/78/79/950927879.db2.gz RPLCENNLVNPTBC-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001573894418 950927862 /nfs/dbraw/zinc/92/78/62/950927862.db2.gz RPLCENNLVNPTBC-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001573894422 950926933 /nfs/dbraw/zinc/92/69/33/950926933.db2.gz RPLCENNLVNPTBC-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001573894422 950926920 /nfs/dbraw/zinc/92/69/20/950926920.db2.gz RPLCENNLVNPTBC-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573894488 950928509 /nfs/dbraw/zinc/92/85/09/950928509.db2.gz SOJGRJODKTYUNB-AOOOYVTPSA-N -1 1 383.420 -0.202 20 0 GBADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573894491 950928155 /nfs/dbraw/zinc/92/81/55/950928155.db2.gz SOJGRJODKTYUNB-MGCOHNPYSA-N -1 1 383.420 -0.202 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001573894530 950930883 /nfs/dbraw/zinc/93/08/83/950930883.db2.gz VANGTQLQYLQOTQ-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001573894530 950930876 /nfs/dbraw/zinc/93/08/76/950930876.db2.gz VANGTQLQYLQOTQ-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001573894544 950932235 /nfs/dbraw/zinc/93/22/35/950932235.db2.gz VWGUERHYAOLHAL-JTQLQIEISA-N -1 1 386.420 -0.767 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001573894545 950933650 /nfs/dbraw/zinc/93/36/50/950933650.db2.gz VWGUERHYAOLHAL-SNVBAGLBSA-N -1 1 386.420 -0.767 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001573894660 950934542 /nfs/dbraw/zinc/93/45/42/950934542.db2.gz WTNSOVPTKULXAK-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cnc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001573894660 950934525 /nfs/dbraw/zinc/93/45/25/950934525.db2.gz WTNSOVPTKULXAK-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001573894666 950932462 /nfs/dbraw/zinc/93/24/62/950932462.db2.gz XBYBBRPONVGOEH-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001573894666 950932443 /nfs/dbraw/zinc/93/24/43/950932443.db2.gz XBYBBRPONVGOEH-LLVKDONJSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001573894667 950934359 /nfs/dbraw/zinc/93/43/59/950934359.db2.gz XBYBBRPONVGOEH-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001573894667 950934337 /nfs/dbraw/zinc/93/43/37/950934337.db2.gz XBYBBRPONVGOEH-NSHDSACASA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)nn1 ZINC001573894694 950931069 /nfs/dbraw/zinc/93/10/69/950931069.db2.gz YKZVBSYFURMUHI-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)nn1 ZINC001573894694 950931056 /nfs/dbraw/zinc/93/10/56/950931056.db2.gz YKZVBSYFURMUHI-UHFFFAOYSA-N -1 1 383.420 -0.034 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573894788 950936658 /nfs/dbraw/zinc/93/66/58/950936658.db2.gz ZVTXPEAPWKXPLP-JTQLQIEISA-N -1 1 383.420 -0.248 20 0 GBADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573894790 950939248 /nfs/dbraw/zinc/93/92/48/950939248.db2.gz ZVTXPEAPWKXPLP-SNVBAGLBSA-N -1 1 383.420 -0.248 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001573894798 950937105 /nfs/dbraw/zinc/93/71/05/950937105.db2.gz ZXQRNYWEIZTMMU-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001573894798 950937079 /nfs/dbraw/zinc/93/70/79/950937079.db2.gz ZXQRNYWEIZTMMU-JTQLQIEISA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001573894802 950937292 /nfs/dbraw/zinc/93/72/92/950937292.db2.gz ZXQRNYWEIZTMMU-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001573894802 950937282 /nfs/dbraw/zinc/93/72/82/950937282.db2.gz ZXQRNYWEIZTMMU-SNVBAGLBSA-N -1 1 386.420 -0.189 20 0 GBADMM CC(C)(CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573896867 950953314 /nfs/dbraw/zinc/95/33/14/950953314.db2.gz KPZYWZAVEBJVLX-MRVPVSSYSA-N -1 1 388.354 -0.054 20 0 GBADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573896868 950953848 /nfs/dbraw/zinc/95/38/48/950953848.db2.gz KPZYWZAVEBJVLX-QMMMGPOBSA-N -1 1 388.354 -0.054 20 0 GBADMM CC(C)(C)OC(=O)CC(C)(C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573899684 950984143 /nfs/dbraw/zinc/98/41/43/950984143.db2.gz IQHBOUWSQDYJLJ-UHFFFAOYSA-N -1 1 393.404 -0.244 20 0 GBADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573899989 950995437 /nfs/dbraw/zinc/99/54/37/950995437.db2.gz NYHKKWRVHSVAQD-MRVPVSSYSA-N -1 1 388.354 -0.054 20 0 GBADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573899990 950991844 /nfs/dbraw/zinc/99/18/44/950991844.db2.gz NYHKKWRVHSVAQD-QMMMGPOBSA-N -1 1 388.354 -0.054 20 0 GBADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573900186 950997006 /nfs/dbraw/zinc/99/70/06/950997006.db2.gz TZKVUBIZKRFJMU-MRVPVSSYSA-N -1 1 388.354 -0.054 20 0 GBADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573900187 950999573 /nfs/dbraw/zinc/99/95/73/950999573.db2.gz TZKVUBIZKRFJMU-QMMMGPOBSA-N -1 1 388.354 -0.054 20 0 GBADMM CCn1cc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1 ZINC001573971347 961733765 /nfs/dbraw/zinc/73/37/65/961733765.db2.gz QWTJDDUXADTXRE-GXSJLCMTSA-N -1 1 377.323 -0.037 20 0 GBADMM CCn1cc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1 ZINC001573971348 961734025 /nfs/dbraw/zinc/73/40/25/961734025.db2.gz QWTJDDUXADTXRE-KOLCDFICSA-N -1 1 377.323 -0.037 20 0 GBADMM CCn1cc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1 ZINC001573971349 961733739 /nfs/dbraw/zinc/73/37/39/961733739.db2.gz QWTJDDUXADTXRE-MWLCHTKSSA-N -1 1 377.323 -0.037 20 0 GBADMM CCn1cc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1 ZINC001573971350 961733515 /nfs/dbraw/zinc/73/35/15/961733515.db2.gz QWTJDDUXADTXRE-ONGXEEELSA-N -1 1 377.323 -0.037 20 0 GBADMM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001573991527 961832331 /nfs/dbraw/zinc/83/23/31/961832331.db2.gz LJXDUMLFAUSUIU-QFYYESIMSA-N -1 1 384.410 -0.184 20 0 GBADMM CN1CCN(c2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])ccn2)CC1 ZINC001574029599 961997776 /nfs/dbraw/zinc/99/77/76/961997776.db2.gz BLQGRWZKYVYDDL-CYBMUJFWSA-N -1 1 382.442 -0.843 20 0 GBADMM CN1CCN(c2cc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])ccn2)CC1 ZINC001574029600 961997690 /nfs/dbraw/zinc/99/76/90/961997690.db2.gz BLQGRWZKYVYDDL-ZDUSSCGKSA-N -1 1 382.442 -0.843 20 0 GBADMM CN1CCN(Cc2cccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])c2)CC1 ZINC001574030106 962002346 /nfs/dbraw/zinc/00/23/46/962002346.db2.gz MLKCQWTZFIVWAM-INIZCTEOSA-N -1 1 395.481 -0.242 20 0 GBADMM CN1CCN(Cc2cccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])c2)CC1 ZINC001574030109 962001767 /nfs/dbraw/zinc/00/17/67/962001767.db2.gz MLKCQWTZFIVWAM-MRXNPFEDSA-N -1 1 395.481 -0.242 20 0 GBADMM CN1CCN(c2ncccc2CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001574031005 962017864 /nfs/dbraw/zinc/01/78/64/962017864.db2.gz VHTDWRCPCVAJET-UHFFFAOYSA-N -1 1 397.501 -0.036 20 0 GBADMM COC(=O)C1CCN(CCCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001574047048 962124181 /nfs/dbraw/zinc/12/41/81/962124181.db2.gz JUNUQQAQANQJRX-UHFFFAOYSA-N -1 1 391.490 -0.108 20 0 GBADMM CC(C)[C@H](F)C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075132 948744618 /nfs/dbraw/zinc/74/46/18/948744618.db2.gz VMHBXGFHIINHGG-BLLLJJGKSA-N -1 1 378.412 -0.162 20 0 GBADMM CC(C)[C@H](F)C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075133 948745273 /nfs/dbraw/zinc/74/52/73/948745273.db2.gz VMHBXGFHIINHGG-LRDDRELGSA-N -1 1 378.412 -0.162 20 0 GBADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075134 948744451 /nfs/dbraw/zinc/74/44/51/948744451.db2.gz VMHBXGFHIINHGG-MLGOLLRUSA-N -1 1 378.412 -0.162 20 0 GBADMM CC(C)[C@@H](F)C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075135 948744081 /nfs/dbraw/zinc/74/40/81/948744081.db2.gz VMHBXGFHIINHGG-WBMJQRKESA-N -1 1 378.412 -0.162 20 0 GBADMM COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(CC(=O)NCC(=O)[O-])C2 ZINC001574077478 962282998 /nfs/dbraw/zinc/28/29/98/962282998.db2.gz RWJLGRFGNKOAGU-FTLABTOESA-N -1 1 399.444 -0.035 20 0 GBADMM CC(C)[C@@H](F)C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574080130 948783770 /nfs/dbraw/zinc/78/37/70/948783770.db2.gz HTFBETOWGOAODN-CYBMUJFWSA-N -1 1 377.428 -0.111 20 0 GBADMM 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CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574156203 950231830 /nfs/dbraw/zinc/23/18/30/950231830.db2.gz YXMCMCFVTYADSQ-KOLCDFICSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1COC(=O)N1 ZINC001574156204 950231602 /nfs/dbraw/zinc/23/16/02/950231602.db2.gz YXMCMCFVTYADSQ-MWLCHTKSSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1COC(=O)N1 ZINC001574156204 950231585 /nfs/dbraw/zinc/23/15/85/950231585.db2.gz YXMCMCFVTYADSQ-MWLCHTKSSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574156205 950233317 /nfs/dbraw/zinc/23/33/17/950233317.db2.gz YXMCMCFVTYADSQ-ONGXEEELSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574156205 950233296 /nfs/dbraw/zinc/23/32/96/950233296.db2.gz YXMCMCFVTYADSQ-ONGXEEELSA-N -1 1 375.393 -0.292 20 0 GBADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574156218 950233928 /nfs/dbraw/zinc/23/39/28/950233928.db2.gz ZDPMNPZNRWJVCC-CHWSQXEVSA-N -1 1 389.464 -0.648 20 0 GBADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574156219 950231990 /nfs/dbraw/zinc/23/19/90/950231990.db2.gz ZDPMNPZNRWJVCC-OLZOCXBDSA-N -1 1 389.464 -0.648 20 0 GBADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574156220 950231114 /nfs/dbraw/zinc/23/11/14/950231114.db2.gz ZDPMNPZNRWJVCC-QWHCGFSZSA-N -1 1 389.464 -0.648 20 0 GBADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574156221 950233698 /nfs/dbraw/zinc/23/36/98/950233698.db2.gz ZDPMNPZNRWJVCC-STQMWFEESA-N -1 1 389.464 -0.648 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574157445 950237628 /nfs/dbraw/zinc/23/76/28/950237628.db2.gz BKNNOWTWAUGFSC-JTQLQIEISA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574157445 950237614 /nfs/dbraw/zinc/23/76/14/950237614.db2.gz BKNNOWTWAUGFSC-JTQLQIEISA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574157446 950236239 /nfs/dbraw/zinc/23/62/39/950236239.db2.gz BKNNOWTWAUGFSC-SNVBAGLBSA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574157446 950236216 /nfs/dbraw/zinc/23/62/16/950236216.db2.gz BKNNOWTWAUGFSC-SNVBAGLBSA-N -1 1 384.404 -0.003 20 0 GBADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574157457 950236280 /nfs/dbraw/zinc/23/62/80/950236280.db2.gz BPQGYTSIEJWKLG-LLVKDONJSA-N -1 1 384.404 -0.169 20 0 GBADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574157459 950237397 /nfs/dbraw/zinc/23/73/97/950237397.db2.gz BPQGYTSIEJWKLG-NSHDSACASA-N -1 1 384.404 -0.169 20 0 GBADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574157471 950239271 /nfs/dbraw/zinc/23/92/71/950239271.db2.gz 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CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cnnn1 ZINC001574157713 950251236 /nfs/dbraw/zinc/25/12/36/950251236.db2.gz HGGBADXDBYVIJJ-LLVKDONJSA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cnnn1 ZINC001574157713 950251221 /nfs/dbraw/zinc/25/12/21/950251221.db2.gz HGGBADXDBYVIJJ-LLVKDONJSA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cnnn1 ZINC001574157714 950250497 /nfs/dbraw/zinc/25/04/97/950250497.db2.gz HGGBADXDBYVIJJ-NSHDSACASA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cnnn1 ZINC001574157714 950250480 /nfs/dbraw/zinc/25/04/80/950250480.db2.gz HGGBADXDBYVIJJ-NSHDSACASA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CS(C)(=O)=O ZINC001574157761 950254088 /nfs/dbraw/zinc/25/40/88/950254088.db2.gz ICZGPSPXLVIFJZ-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CS(C)(=O)=O ZINC001574157761 950254065 /nfs/dbraw/zinc/25/40/65/950254065.db2.gz ICZGPSPXLVIFJZ-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CS(C)(=O)=O ZINC001574157762 950253876 /nfs/dbraw/zinc/25/38/76/950253876.db2.gz ICZGPSPXLVIFJZ-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CS(C)(=O)=O ZINC001574157762 950253859 /nfs/dbraw/zinc/25/38/59/950253859.db2.gz ICZGPSPXLVIFJZ-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CN1CCOCC1 ZINC001574157787 950255065 /nfs/dbraw/zinc/25/50/65/950255065.db2.gz ITEVWBIMSUZKDW-CYBMUJFWSA-N -1 1 389.464 -0.068 20 0 GBADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CN1CCOCC1 ZINC001574157787 950255046 /nfs/dbraw/zinc/25/50/46/950255046.db2.gz ITEVWBIMSUZKDW-CYBMUJFWSA-N -1 1 389.464 -0.068 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CN1CCOCC1 ZINC001574157788 950253021 /nfs/dbraw/zinc/25/30/21/950253021.db2.gz ITEVWBIMSUZKDW-ZDUSSCGKSA-N -1 1 389.464 -0.068 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CN1CCOCC1 ZINC001574157788 950252997 /nfs/dbraw/zinc/25/29/97/950252997.db2.gz ITEVWBIMSUZKDW-ZDUSSCGKSA-N -1 1 389.464 -0.068 20 0 GBADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cnn(C)c1 ZINC001574157867 950259126 /nfs/dbraw/zinc/25/91/26/950259126.db2.gz KJGCREKRLUAOPS-CYBMUJFWSA-N -1 1 384.448 -0.002 20 0 GBADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cnn(C)c1 ZINC001574157868 950259816 /nfs/dbraw/zinc/25/98/16/950259816.db2.gz KJGCREKRLUAOPS-ZDUSSCGKSA-N -1 1 384.448 -0.002 20 0 GBADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574157909 950265518 /nfs/dbraw/zinc/26/55/18/950265518.db2.gz KZMFBCAMCAOWPG-JTQLQIEISA-N -1 1 384.404 -0.169 20 0 GBADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574157910 950262715 /nfs/dbraw/zinc/26/27/15/950262715.db2.gz KZMFBCAMCAOWPG-SNVBAGLBSA-N -1 1 384.404 -0.169 20 0 GBADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cnnn1 ZINC001574158501 950281030 /nfs/dbraw/zinc/28/10/30/950281030.db2.gz BSWJTPYPRFLYBK-LLVKDONJSA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cnnn1 ZINC001574158501 950281014 /nfs/dbraw/zinc/28/10/14/950281014.db2.gz BSWJTPYPRFLYBK-LLVKDONJSA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cnnn1 ZINC001574158502 950283173 /nfs/dbraw/zinc/28/31/73/950283173.db2.gz BSWJTPYPRFLYBK-NSHDSACASA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cnnn1 ZINC001574158502 950283150 /nfs/dbraw/zinc/28/31/50/950283150.db2.gz BSWJTPYPRFLYBK-NSHDSACASA-N -1 1 386.424 -0.324 20 0 GBADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(=O)n1C ZINC001574158752 950288935 /nfs/dbraw/zinc/28/89/35/950288935.db2.gz RWPVILAEIJEUMR-JTQLQIEISA-N -1 1 386.420 -0.226 20 0 GBADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(=O)n1C ZINC001574158754 950286260 /nfs/dbraw/zinc/28/62/60/950286260.db2.gz RWPVILAEIJEUMR-SNVBAGLBSA-N -1 1 386.420 -0.226 20 0 GBADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574158756 950285640 /nfs/dbraw/zinc/28/56/40/950285640.db2.gz RXUWTUGCYQUDFP-NEPJUHHUSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574158758 950288103 /nfs/dbraw/zinc/28/81/03/950288103.db2.gz RXUWTUGCYQUDFP-RYUDHWBXSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574158772 950286947 /nfs/dbraw/zinc/28/69/47/950286947.db2.gz SHAZINAGRZRWKH-CMPLNLGQSA-N -1 1 388.436 -0.377 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574158772 950286922 /nfs/dbraw/zinc/28/69/22/950286922.db2.gz SHAZINAGRZRWKH-CMPLNLGQSA-N -1 1 388.436 -0.377 20 0 GBADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574158773 950285156 /nfs/dbraw/zinc/28/51/56/950285156.db2.gz SHAZINAGRZRWKH-JQWIXIFHSA-N -1 1 388.436 -0.377 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950751928 /nfs/dbraw/zinc/75/19/28/950751928.db2.gz SZIBRKSAHIHILU-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574182068 950751917 /nfs/dbraw/zinc/75/19/17/950751917.db2.gz SZIBRKSAHIHILU-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574182593 950761736 /nfs/dbraw/zinc/76/17/36/950761736.db2.gz XTUBBAZRBFZUQD-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574182593 950761719 /nfs/dbraw/zinc/76/17/19/950761719.db2.gz XTUBBAZRBFZUQD-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574182596 950761362 /nfs/dbraw/zinc/76/13/62/950761362.db2.gz XTUBBAZRBFZUQD-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574182596 950761345 /nfs/dbraw/zinc/76/13/45/950761345.db2.gz XTUBBAZRBFZUQD-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574182684 950760802 /nfs/dbraw/zinc/76/08/02/950760802.db2.gz YDXGTOFIRVZNQO-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574182684 950760787 /nfs/dbraw/zinc/76/07/87/950760787.db2.gz YDXGTOFIRVZNQO-GFCCVEGCSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574182696 950760568 /nfs/dbraw/zinc/76/05/68/950760568.db2.gz YDXGTOFIRVZNQO-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574182696 950760554 /nfs/dbraw/zinc/76/05/54/950760554.db2.gz YDXGTOFIRVZNQO-LBPRGKRZSA-N -1 1 387.448 -0.096 20 0 GBADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574182755 950763307 /nfs/dbraw/zinc/76/33/07/950763307.db2.gz YFPMPGDSLNGVME-LLVKDONJSA-N -1 1 375.437 -0.452 20 0 GBADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574182756 950760896 /nfs/dbraw/zinc/76/08/96/950760896.db2.gz YFPMPGDSLNGVME-NSHDSACASA-N -1 1 375.437 -0.452 20 0 GBADMM CC(C)CC[C@](C)(O)CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574183926 950772194 /nfs/dbraw/zinc/77/21/94/950772194.db2.gz BMMQEEUPUDWUQW-INIZCTEOSA-N -1 1 379.421 -0.178 20 0 GBADMM CC(C)CC[C@@](C)(O)CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574183927 950770577 /nfs/dbraw/zinc/77/05/77/950770577.db2.gz BMMQEEUPUDWUQW-MRXNPFEDSA-N -1 1 379.421 -0.178 20 0 GBADMM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574416522 948749255 /nfs/dbraw/zinc/74/92/55/948749255.db2.gz WUXLPBYGELXTBB-GFCCVEGCSA-N -1 1 383.416 -0.200 20 0 GBADMM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574416523 948748619 /nfs/dbraw/zinc/74/86/19/948748619.db2.gz WUXLPBYGELXTBB-LBPRGKRZSA-N -1 1 383.416 -0.200 20 0 GBADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574416686 948755363 /nfs/dbraw/zinc/75/53/63/948755363.db2.gz DHPMKBGOMYMXMM-LLVKDONJSA-N -1 1 383.416 -0.200 20 0 GBADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574416687 948757281 /nfs/dbraw/zinc/75/72/81/948757281.db2.gz DHPMKBGOMYMXMM-NSHDSACASA-N -1 1 383.416 -0.200 20 0 GBADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001574424507 961362792 /nfs/dbraw/zinc/36/27/92/961362792.db2.gz ZEWADOUMBHTBNO-LLVKDONJSA-N -1 1 382.398 -0.696 20 0 GBADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001574424509 961362300 /nfs/dbraw/zinc/36/23/00/961362300.db2.gz ZEWADOUMBHTBNO-NSHDSACASA-N -1 1 382.398 -0.696 20 0 GBADMM CC(C)c1nc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424986 948867852 /nfs/dbraw/zinc/86/78/52/948867852.db2.gz ZSOQNNNDCILZJD-SECBINFHSA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424987 948868943 /nfs/dbraw/zinc/86/89/43/948868943.db2.gz ZSOQNNNDCILZJD-VIFPVBQESA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574426909 948896965 /nfs/dbraw/zinc/89/69/65/948896965.db2.gz WHJKEVRSUKFANU-SECBINFHSA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574426910 948895546 /nfs/dbraw/zinc/89/55/46/948895546.db2.gz WHJKEVRSUKFANU-VIFPVBQESA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1ncc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001574428050 948919931 /nfs/dbraw/zinc/91/99/31/948919931.db2.gz YKGMLHUTKWBYSA-SECBINFHSA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1ncc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001574428051 948922723 /nfs/dbraw/zinc/92/27/23/948922723.db2.gz YKGMLHUTKWBYSA-VIFPVBQESA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574431748 948925855 /nfs/dbraw/zinc/92/58/55/948925855.db2.gz ATCBZKYLVIGVQM-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574431748 948925839 /nfs/dbraw/zinc/92/58/39/948925839.db2.gz ATCBZKYLVIGVQM-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574431749 948924040 /nfs/dbraw/zinc/92/40/40/948924040.db2.gz ATCBZKYLVIGVQM-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574431749 948924028 /nfs/dbraw/zinc/92/40/28/948924028.db2.gz ATCBZKYLVIGVQM-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1nccn1CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574431770 948925262 /nfs/dbraw/zinc/92/52/62/948925262.db2.gz BHINHQLILXIECH-UHFFFAOYSA-N -1 1 387.404 -0.345 20 0 GBADMM CC(C)c1ncncc1C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001574431805 948926239 /nfs/dbraw/zinc/92/62/39/948926239.db2.gz BUGMJIIPOCQKQM-UHFFFAOYSA-N -1 1 383.372 -0.261 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574432284 948931654 /nfs/dbraw/zinc/93/16/54/948931654.db2.gz ILFSYCSADYEFRI-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574432284 948931641 /nfs/dbraw/zinc/93/16/41/948931641.db2.gz ILFSYCSADYEFRI-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574432285 948931853 /nfs/dbraw/zinc/93/18/53/948931853.db2.gz ILFSYCSADYEFRI-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574432285 948931844 /nfs/dbraw/zinc/93/18/44/948931844.db2.gz ILFSYCSADYEFRI-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574432695 948937955 /nfs/dbraw/zinc/93/79/55/948937955.db2.gz AMCRFUAPNYBUJN-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574432695 948937941 /nfs/dbraw/zinc/93/79/41/948937941.db2.gz AMCRFUAPNYBUJN-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574432696 948939044 /nfs/dbraw/zinc/93/90/44/948939044.db2.gz AMCRFUAPNYBUJN-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574432696 948939033 /nfs/dbraw/zinc/93/90/33/948939033.db2.gz AMCRFUAPNYBUJN-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574432726 948939856 /nfs/dbraw/zinc/93/98/56/948939856.db2.gz CGQXMTTUTCELCX-SECBINFHSA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574432728 948940058 /nfs/dbraw/zinc/94/00/58/948940058.db2.gz CGQXMTTUTCELCX-VIFPVBQESA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574432747 948939935 /nfs/dbraw/zinc/93/99/35/948939935.db2.gz CXLWTWHEVYDRSW-JTQLQIEISA-N -1 1 386.420 -0.862 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574432749 948939975 /nfs/dbraw/zinc/93/99/75/948939975.db2.gz CXLWTWHEVYDRSW-SNVBAGLBSA-N -1 1 386.420 -0.862 20 0 GBADMM CC(C)c1nnc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001574432807 948938956 /nfs/dbraw/zinc/93/89/56/948938956.db2.gz DSNPJZBJKQJDHU-UHFFFAOYSA-N -1 1 377.390 -0.466 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432928 948943249 /nfs/dbraw/zinc/94/32/49/948943249.db2.gz PTIRXFCUITWWLX-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432928 948943236 /nfs/dbraw/zinc/94/32/36/948943236.db2.gz PTIRXFCUITWWLX-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432929 948943679 /nfs/dbraw/zinc/94/36/79/948943679.db2.gz PTIRXFCUITWWLX-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432929 948943669 /nfs/dbraw/zinc/94/36/69/948943669.db2.gz PTIRXFCUITWWLX-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432955 948946393 /nfs/dbraw/zinc/94/63/93/948946393.db2.gz QLPLYBNCAPTKCK-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432955 948946384 /nfs/dbraw/zinc/94/63/84/948946384.db2.gz QLPLYBNCAPTKCK-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432956 948944985 /nfs/dbraw/zinc/94/49/85/948944985.db2.gz QLPLYBNCAPTKCK-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432956 948944968 /nfs/dbraw/zinc/94/49/68/948944968.db2.gz QLPLYBNCAPTKCK-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433147 948948175 /nfs/dbraw/zinc/94/81/75/948948175.db2.gz IXRVFVSIGDCWNA-SECBINFHSA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433148 948948656 /nfs/dbraw/zinc/94/86/56/948948656.db2.gz IXRVFVSIGDCWNA-VIFPVBQESA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574433150 948950899 /nfs/dbraw/zinc/95/08/99/948950899.db2.gz IYLUNVOEXCQPFX-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574433150 948950886 /nfs/dbraw/zinc/95/08/86/948950886.db2.gz IYLUNVOEXCQPFX-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574433151 948951083 /nfs/dbraw/zinc/95/10/83/948951083.db2.gz IYLUNVOEXCQPFX-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574433151 948951068 /nfs/dbraw/zinc/95/10/68/948951068.db2.gz IYLUNVOEXCQPFX-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574433161 948950779 /nfs/dbraw/zinc/95/07/79/948950779.db2.gz JMGLEHOINCGOQA-OLZOCXBDSA-N -1 1 398.431 -0.507 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001574433161 948950769 /nfs/dbraw/zinc/95/07/69/948950769.db2.gz JMGLEHOINCGOQA-OLZOCXBDSA-N -1 1 398.431 -0.507 20 0 GBADMM CC(C)c1nnc(C(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)s1 ZINC001574433166 948948052 /nfs/dbraw/zinc/94/80/52/948948052.db2.gz JUFNAKJCVOFKON-UHFFFAOYSA-N -1 1 389.401 -0.199 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574433167 948949862 /nfs/dbraw/zinc/94/98/62/948949862.db2.gz JUFNFNWPZVCRAX-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574433167 948949852 /nfs/dbraw/zinc/94/98/52/948949852.db2.gz JUFNFNWPZVCRAX-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574433168 948950932 /nfs/dbraw/zinc/95/09/32/948950932.db2.gz JUFNFNWPZVCRAX-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574433168 948950922 /nfs/dbraw/zinc/95/09/22/948950922.db2.gz JUFNFNWPZVCRAX-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574433171 948950202 /nfs/dbraw/zinc/95/02/02/948950202.db2.gz JYCQTAAZPJHMFY-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574433171 948950197 /nfs/dbraw/zinc/95/01/97/948950197.db2.gz JYCQTAAZPJHMFY-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574433172 948950094 /nfs/dbraw/zinc/95/00/94/948950094.db2.gz JYCQTAAZPJHMFY-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574433172 948950084 /nfs/dbraw/zinc/95/00/84/948950084.db2.gz JYCQTAAZPJHMFY-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574433182 948950603 /nfs/dbraw/zinc/95/06/03/948950603.db2.gz KKGKUSZYSUXPJW-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574433182 948950587 /nfs/dbraw/zinc/95/05/87/948950587.db2.gz KKGKUSZYSUXPJW-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574433183 948949393 /nfs/dbraw/zinc/94/93/93/948949393.db2.gz KKGKUSZYSUXPJW-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574433183 948949385 /nfs/dbraw/zinc/94/93/85/948949385.db2.gz KKGKUSZYSUXPJW-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574433355 948952961 /nfs/dbraw/zinc/95/29/61/948952961.db2.gz WBDGMXJYWOGDAL-JTQLQIEISA-N -1 1 384.404 -0.805 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574433356 948954292 /nfs/dbraw/zinc/95/42/92/948954292.db2.gz WBDGMXJYWOGDAL-SNVBAGLBSA-N -1 1 384.404 -0.805 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574433359 948954157 /nfs/dbraw/zinc/95/41/57/948954157.db2.gz WDGPJOBLRGJMCX-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574433359 948954144 /nfs/dbraw/zinc/95/41/44/948954144.db2.gz WDGPJOBLRGJMCX-JTQLQIEISA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574433360 948954371 /nfs/dbraw/zinc/95/43/71/948954371.db2.gz WDGPJOBLRGJMCX-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574433360 948954359 /nfs/dbraw/zinc/95/43/59/948954359.db2.gz WDGPJOBLRGJMCX-SNVBAGLBSA-N -1 1 384.404 -0.227 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433915 948969905 /nfs/dbraw/zinc/96/99/05/948969905.db2.gz VVJCBHCKYLRBAS-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433915 948969894 /nfs/dbraw/zinc/96/98/94/948969894.db2.gz VVJCBHCKYLRBAS-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433916 948971056 /nfs/dbraw/zinc/97/10/56/948971056.db2.gz VVJCBHCKYLRBAS-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433916 948971050 /nfs/dbraw/zinc/97/10/50/948971050.db2.gz VVJCBHCKYLRBAS-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574433939 948970864 /nfs/dbraw/zinc/97/08/64/948970864.db2.gz WYHISVLYCRPRPM-JTQLQIEISA-N -1 1 386.420 -0.862 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574433940 948971918 /nfs/dbraw/zinc/97/19/18/948971918.db2.gz WYHISVLYCRPRPM-SNVBAGLBSA-N -1 1 386.420 -0.862 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433953 948969976 /nfs/dbraw/zinc/96/99/76/948969976.db2.gz AFCQGODGGMUWLS-NXEZZACHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433953 948969957 /nfs/dbraw/zinc/96/99/57/948969957.db2.gz AFCQGODGGMUWLS-NXEZZACHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433954 948971582 /nfs/dbraw/zinc/97/15/82/948971582.db2.gz AFCQGODGGMUWLS-UWVGGRQHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433954 948971571 /nfs/dbraw/zinc/97/15/71/948971571.db2.gz AFCQGODGGMUWLS-UWVGGRQHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433955 948970241 /nfs/dbraw/zinc/97/02/41/948970241.db2.gz AFCQGODGGMUWLS-VHSXEESVSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433955 948970230 /nfs/dbraw/zinc/97/02/30/948970230.db2.gz AFCQGODGGMUWLS-VHSXEESVSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433956 948969083 /nfs/dbraw/zinc/96/90/83/948969083.db2.gz AFCQGODGGMUWLS-ZJUUUORDSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433956 948969065 /nfs/dbraw/zinc/96/90/65/948969065.db2.gz AFCQGODGGMUWLS-ZJUUUORDSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574433957 948969218 /nfs/dbraw/zinc/96/92/18/948969218.db2.gz AGJTUXHKXMYFJQ-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574433957 948969204 /nfs/dbraw/zinc/96/92/04/948969204.db2.gz AGJTUXHKXMYFJQ-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574433958 948969728 /nfs/dbraw/zinc/96/97/28/948969728.db2.gz AGJTUXHKXMYFJQ-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574433958 948969712 /nfs/dbraw/zinc/96/97/12/948969712.db2.gz AGJTUXHKXMYFJQ-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574433969 948969161 /nfs/dbraw/zinc/96/91/61/948969161.db2.gz AWHXMLMNZDFFAO-JTQLQIEISA-N -1 1 386.424 -0.853 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574433970 948970783 /nfs/dbraw/zinc/97/07/83/948970783.db2.gz AWHXMLMNZDFFAO-SNVBAGLBSA-N -1 1 386.424 -0.853 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433972 948971355 /nfs/dbraw/zinc/97/13/55/948971355.db2.gz AXSFEWQQTCDMJP-JTQLQIEISA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433973 948969117 /nfs/dbraw/zinc/96/91/17/948969117.db2.gz AXSFEWQQTCDMJP-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnc(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1C ZINC001574434008 948972611 /nfs/dbraw/zinc/97/26/11/948972611.db2.gz CCIAJXJYMATYLX-UHFFFAOYSA-N -1 1 388.392 -0.913 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574434011 948974640 /nfs/dbraw/zinc/97/46/40/948974640.db2.gz CMBKCSAFVGQMOG-GHMZBOCLSA-N -1 1 398.435 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574434011 948974626 /nfs/dbraw/zinc/97/46/26/948974626.db2.gz CMBKCSAFVGQMOG-GHMZBOCLSA-N -1 1 398.435 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574434025 948973445 /nfs/dbraw/zinc/97/34/45/948973445.db2.gz CZHLBFPWZNWSEJ-JTQLQIEISA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574434025 948973440 /nfs/dbraw/zinc/97/34/40/948973440.db2.gz CZHLBFPWZNWSEJ-JTQLQIEISA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574434026 948973420 /nfs/dbraw/zinc/97/34/20/948973420.db2.gz CZHLBFPWZNWSEJ-SNVBAGLBSA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574434026 948973412 /nfs/dbraw/zinc/97/34/12/948973412.db2.gz CZHLBFPWZNWSEJ-SNVBAGLBSA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nn(C)cc1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574434163 948977344 /nfs/dbraw/zinc/97/73/44/948977344.db2.gz YFMUFSZNYAWPCH-UHFFFAOYSA-N -1 1 388.392 -0.192 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574434164 948977927 /nfs/dbraw/zinc/97/79/27/948977927.db2.gz YGDWSLQIPCMOPQ-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574434164 948977917 /nfs/dbraw/zinc/97/79/17/948977917.db2.gz YGDWSLQIPCMOPQ-JTQLQIEISA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574434165 948976285 /nfs/dbraw/zinc/97/62/85/948976285.db2.gz YGDWSLQIPCMOPQ-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574434165 948976277 /nfs/dbraw/zinc/97/62/77/948976277.db2.gz YGDWSLQIPCMOPQ-SNVBAGLBSA-N -1 1 386.420 -0.284 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574434259 948976317 /nfs/dbraw/zinc/97/63/17/948976317.db2.gz FRPVUZJRXFDXRU-JTQLQIEISA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574434259 948976306 /nfs/dbraw/zinc/97/63/06/948976306.db2.gz FRPVUZJRXFDXRU-JTQLQIEISA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574434260 948977524 /nfs/dbraw/zinc/97/75/24/948977524.db2.gz FRPVUZJRXFDXRU-SNVBAGLBSA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574434260 948977515 /nfs/dbraw/zinc/97/75/15/948977515.db2.gz FRPVUZJRXFDXRU-SNVBAGLBSA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574434279 948976993 /nfs/dbraw/zinc/97/69/93/948976993.db2.gz GJJKHDRQSVCYDJ-UHFFFAOYSA-N -1 1 384.408 -0.473 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574434279 948976988 /nfs/dbraw/zinc/97/69/88/948976988.db2.gz GJJKHDRQSVCYDJ-UHFFFAOYSA-N -1 1 384.408 -0.473 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574434289 948980736 /nfs/dbraw/zinc/98/07/36/948980736.db2.gz GMKPWUWFQOFWQS-JTQLQIEISA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574434289 948980724 /nfs/dbraw/zinc/98/07/24/948980724.db2.gz GMKPWUWFQOFWQS-JTQLQIEISA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574434313 948980965 /nfs/dbraw/zinc/98/09/65/948980965.db2.gz HJQGCJPSQGDZDQ-UHFFFAOYSA-N -1 1 384.408 -0.885 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574434313 948980955 /nfs/dbraw/zinc/98/09/55/948980955.db2.gz HJQGCJPSQGDZDQ-UHFFFAOYSA-N -1 1 384.408 -0.885 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574434386 948979696 /nfs/dbraw/zinc/97/96/96/948979696.db2.gz IYLMUCJEAAZXJT-JTQLQIEISA-N -1 1 386.424 -0.805 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574434397 948978690 /nfs/dbraw/zinc/97/86/90/948978690.db2.gz JAIZPXVMPTXNAA-JTQLQIEISA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574434397 948978684 /nfs/dbraw/zinc/97/86/84/948978684.db2.gz JAIZPXVMPTXNAA-JTQLQIEISA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574434400 948978884 /nfs/dbraw/zinc/97/88/84/948978884.db2.gz JAIZPXVMPTXNAA-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574434400 948978870 /nfs/dbraw/zinc/97/88/70/948978870.db2.gz JAIZPXVMPTXNAA-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574434572 948984665 /nfs/dbraw/zinc/98/46/65/948984665.db2.gz KJFYSANVSQEWAB-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574434572 948984645 /nfs/dbraw/zinc/98/46/45/948984645.db2.gz KJFYSANVSQEWAB-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574434573 948982805 /nfs/dbraw/zinc/98/28/05/948982805.db2.gz KJFYSANVSQEWAB-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574434573 948982788 /nfs/dbraw/zinc/98/27/88/948982788.db2.gz KJFYSANVSQEWAB-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574434587 948985405 /nfs/dbraw/zinc/98/54/05/948985405.db2.gz KTNLXXCXMSMAKW-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574434587 948985394 /nfs/dbraw/zinc/98/53/94/948985394.db2.gz KTNLXXCXMSMAKW-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574434588 948985313 /nfs/dbraw/zinc/98/53/13/948985313.db2.gz KTNLXXCXMSMAKW-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574434588 948985298 /nfs/dbraw/zinc/98/52/98/948985298.db2.gz KTNLXXCXMSMAKW-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574434635 948984328 /nfs/dbraw/zinc/98/43/28/948984328.db2.gz LHROFWQPUKRCGA-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574434635 948984311 /nfs/dbraw/zinc/98/43/11/948984311.db2.gz LHROFWQPUKRCGA-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574434637 948983846 /nfs/dbraw/zinc/98/38/46/948983846.db2.gz LHROFWQPUKRCGA-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574434637 948983837 /nfs/dbraw/zinc/98/38/37/948983837.db2.gz LHROFWQPUKRCGA-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574434639 948983532 /nfs/dbraw/zinc/98/35/32/948983532.db2.gz LIDCYTKNAFCUPW-GHMZBOCLSA-N -1 1 398.435 -0.853 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574434641 948983465 /nfs/dbraw/zinc/98/34/65/948983465.db2.gz LNBCAFGHDPTKNT-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574434641 948983453 /nfs/dbraw/zinc/98/34/53/948983453.db2.gz LNBCAFGHDPTKNT-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574434658 948984429 /nfs/dbraw/zinc/98/44/29/948984429.db2.gz LZRYKGPGMNZKRP-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574434658 948984419 /nfs/dbraw/zinc/98/44/19/948984419.db2.gz LZRYKGPGMNZKRP-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574434662 948982447 /nfs/dbraw/zinc/98/24/47/948982447.db2.gz MBZBTUIXFWMDKN-UHFFFAOYSA-N -1 1 384.408 -0.473 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574434662 948982435 /nfs/dbraw/zinc/98/24/35/948982435.db2.gz MBZBTUIXFWMDKN-UHFFFAOYSA-N -1 1 384.408 -0.473 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574434951 948986029 /nfs/dbraw/zinc/98/60/29/948986029.db2.gz NFNJUNYXKBOKFJ-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574434951 948986012 /nfs/dbraw/zinc/98/60/12/948986012.db2.gz NFNJUNYXKBOKFJ-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574434953 948987872 /nfs/dbraw/zinc/98/78/72/948987872.db2.gz NFNJUNYXKBOKFJ-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574434953 948987863 /nfs/dbraw/zinc/98/78/63/948987863.db2.gz NFNJUNYXKBOKFJ-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574434954 948985985 /nfs/dbraw/zinc/98/59/85/948985985.db2.gz NFXYWQKPWUJTOO-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574434954 948985975 /nfs/dbraw/zinc/98/59/75/948985975.db2.gz NFXYWQKPWUJTOO-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574434956 948988050 /nfs/dbraw/zinc/98/80/50/948988050.db2.gz NFXYWQKPWUJTOO-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574434956 948988039 /nfs/dbraw/zinc/98/80/39/948988039.db2.gz NFXYWQKPWUJTOO-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574434963 948988199 /nfs/dbraw/zinc/98/81/99/948988199.db2.gz NJHVWHNWUXUIOX-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574434963 948988184 /nfs/dbraw/zinc/98/81/84/948988184.db2.gz NJHVWHNWUXUIOX-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574434964 948986372 /nfs/dbraw/zinc/98/63/72/948986372.db2.gz NJHVWHNWUXUIOX-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574434964 948986361 /nfs/dbraw/zinc/98/63/61/948986361.db2.gz NJHVWHNWUXUIOX-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574435003 948989096 /nfs/dbraw/zinc/98/90/96/948989096.db2.gz OQLKCKFCIHATQL-JTQLQIEISA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574435004 948985804 /nfs/dbraw/zinc/98/58/04/948985804.db2.gz OQLKCKFCIHATQL-SNVBAGLBSA-N -1 1 386.424 -0.592 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574435008 948987636 /nfs/dbraw/zinc/98/76/36/948987636.db2.gz OTKNHXGDSFJOLP-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574435008 948987619 /nfs/dbraw/zinc/98/76/19/948987619.db2.gz OTKNHXGDSFJOLP-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574435022 948992606 /nfs/dbraw/zinc/99/26/06/948992606.db2.gz PMLNQNDCSOGWGQ-NXEZZACHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574435022 948992590 /nfs/dbraw/zinc/99/25/90/948992590.db2.gz PMLNQNDCSOGWGQ-NXEZZACHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574435023 948989829 /nfs/dbraw/zinc/98/98/29/948989829.db2.gz PMLNQNDCSOGWGQ-UWVGGRQHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574435023 948989818 /nfs/dbraw/zinc/98/98/18/948989818.db2.gz PMLNQNDCSOGWGQ-UWVGGRQHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574435024 948992180 /nfs/dbraw/zinc/99/21/80/948992180.db2.gz PMLNQNDCSOGWGQ-VHSXEESVSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574435024 948992174 /nfs/dbraw/zinc/99/21/74/948992174.db2.gz PMLNQNDCSOGWGQ-VHSXEESVSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574435025 948989873 /nfs/dbraw/zinc/98/98/73/948989873.db2.gz PMLNQNDCSOGWGQ-ZJUUUORDSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574435025 948989863 /nfs/dbraw/zinc/98/98/63/948989863.db2.gz PMLNQNDCSOGWGQ-ZJUUUORDSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574435319 948992459 /nfs/dbraw/zinc/99/24/59/948992459.db2.gz SQPQQLZKKQCAKH-UHFFFAOYSA-N -1 1 384.408 -0.473 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574435319 948992445 /nfs/dbraw/zinc/99/24/45/948992445.db2.gz SQPQQLZKKQCAKH-UHFFFAOYSA-N -1 1 384.408 -0.473 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574435346 948993729 /nfs/dbraw/zinc/99/37/29/948993729.db2.gz UFLWGKFCSLSYJI-NXEZZACHSA-N -1 1 386.424 -0.806 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574435349 948994748 /nfs/dbraw/zinc/99/47/48/948994748.db2.gz UFLWGKFCSLSYJI-UWVGGRQHSA-N -1 1 386.424 -0.806 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574435351 948995367 /nfs/dbraw/zinc/99/53/67/948995367.db2.gz UFLWGKFCSLSYJI-VHSXEESVSA-N -1 1 386.424 -0.806 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574435354 948993167 /nfs/dbraw/zinc/99/31/67/948993167.db2.gz UFLWGKFCSLSYJI-ZJUUUORDSA-N -1 1 386.424 -0.806 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574435458 948994719 /nfs/dbraw/zinc/99/47/19/948994719.db2.gz VKLANFPBQKEOAL-NXEZZACHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574435458 948994704 /nfs/dbraw/zinc/99/47/04/948994704.db2.gz VKLANFPBQKEOAL-NXEZZACHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574435461 948994419 /nfs/dbraw/zinc/99/44/19/948994419.db2.gz VKLANFPBQKEOAL-UWVGGRQHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574435461 948994412 /nfs/dbraw/zinc/99/44/12/948994412.db2.gz VKLANFPBQKEOAL-UWVGGRQHSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574435465 948993889 /nfs/dbraw/zinc/99/38/89/948993889.db2.gz VKLANFPBQKEOAL-VHSXEESVSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574435465 948993873 /nfs/dbraw/zinc/99/38/73/948993873.db2.gz VKLANFPBQKEOAL-VHSXEESVSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574435469 948995422 /nfs/dbraw/zinc/99/54/22/948995422.db2.gz VKLANFPBQKEOAL-ZJUUUORDSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574435469 948995408 /nfs/dbraw/zinc/99/54/08/948995408.db2.gz VKLANFPBQKEOAL-ZJUUUORDSA-N -1 1 386.424 -0.228 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574435473 948993484 /nfs/dbraw/zinc/99/34/84/948993484.db2.gz VNJSCRMWZJETQQ-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574435473 948993473 /nfs/dbraw/zinc/99/34/73/948993473.db2.gz VNJSCRMWZJETQQ-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574435474 948994105 /nfs/dbraw/zinc/99/41/05/948994105.db2.gz VNJSCRMWZJETQQ-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574435474 948994095 /nfs/dbraw/zinc/99/40/95/948994095.db2.gz VNJSCRMWZJETQQ-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574435477 948995874 /nfs/dbraw/zinc/99/58/74/948995874.db2.gz VQISIYDFUGRSBT-UHFFFAOYSA-N -1 1 386.424 -0.639 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574435477 948995862 /nfs/dbraw/zinc/99/58/62/948995862.db2.gz VQISIYDFUGRSBT-UHFFFAOYSA-N -1 1 386.424 -0.639 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574435630 948999122 /nfs/dbraw/zinc/99/91/22/948999122.db2.gz WTVDVRIYCUYJJC-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574435630 948999105 /nfs/dbraw/zinc/99/91/05/948999105.db2.gz WTVDVRIYCUYJJC-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574435666 948999073 /nfs/dbraw/zinc/99/90/73/948999073.db2.gz XSQWLAUVYILKJM-JTQLQIEISA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574435666 948999058 /nfs/dbraw/zinc/99/90/58/948999058.db2.gz XSQWLAUVYILKJM-JTQLQIEISA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574435668 948999029 /nfs/dbraw/zinc/99/90/29/948999029.db2.gz XSQWLAUVYILKJM-SNVBAGLBSA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574435668 948999014 /nfs/dbraw/zinc/99/90/14/948999014.db2.gz XSQWLAUVYILKJM-SNVBAGLBSA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574435675 948999777 /nfs/dbraw/zinc/99/97/77/948999777.db2.gz XZNLVXDHZDHWEW-UHFFFAOYSA-N -1 1 386.424 -0.639 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574435675 948999770 /nfs/dbraw/zinc/99/97/70/948999770.db2.gz XZNLVXDHZDHWEW-UHFFFAOYSA-N -1 1 386.424 -0.639 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574435681 948998401 /nfs/dbraw/zinc/99/84/01/948998401.db2.gz YCIBFTNSOOBZQD-UHFFFAOYSA-N -1 1 384.408 -0.885 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574435681 948998390 /nfs/dbraw/zinc/99/83/90/948998390.db2.gz YCIBFTNSOOBZQD-UHFFFAOYSA-N -1 1 384.408 -0.885 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574435710 948998164 /nfs/dbraw/zinc/99/81/64/948998164.db2.gz YORLPPMOORJSDN-UHFFFAOYSA-N -1 1 384.408 -0.885 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574435721 948999676 /nfs/dbraw/zinc/99/96/76/948999676.db2.gz YVBYOXOVMZVXDT-UHFFFAOYSA-N -1 1 386.424 -0.639 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574435752 948998260 /nfs/dbraw/zinc/99/82/60/948998260.db2.gz ZNLFYXIODLAMJR-UHFFFAOYSA-N -1 1 386.424 -0.639 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574435752 948998256 /nfs/dbraw/zinc/99/82/56/948998256.db2.gz ZNLFYXIODLAMJR-UHFFFAOYSA-N -1 1 386.424 -0.639 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574435756 948996914 /nfs/dbraw/zinc/99/69/14/948996914.db2.gz ZRERCBDIVRCJAY-JTQLQIEISA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574435756 948996903 /nfs/dbraw/zinc/99/69/03/948996903.db2.gz ZRERCBDIVRCJAY-JTQLQIEISA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574435758 948999368 /nfs/dbraw/zinc/99/93/68/948999368.db2.gz ZRERCBDIVRCJAY-SNVBAGLBSA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574435758 948999352 /nfs/dbraw/zinc/99/93/52/948999352.db2.gz ZRERCBDIVRCJAY-SNVBAGLBSA-N -1 1 384.408 -0.520 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574435760 949001600 /nfs/dbraw/zinc/00/16/00/949001600.db2.gz ZSUUDHWKAWXJLC-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574435760 949001586 /nfs/dbraw/zinc/00/15/86/949001586.db2.gz ZSUUDHWKAWXJLC-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574435766 949000634 /nfs/dbraw/zinc/00/06/34/949000634.db2.gz ZYCMEUZCLUVSBQ-JTQLQIEISA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574435766 949000608 /nfs/dbraw/zinc/00/06/08/949000608.db2.gz ZYCMEUZCLUVSBQ-JTQLQIEISA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574435768 949002904 /nfs/dbraw/zinc/00/29/04/949002904.db2.gz ZYCMEUZCLUVSBQ-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574435768 949002898 /nfs/dbraw/zinc/00/28/98/949002898.db2.gz ZYCMEUZCLUVSBQ-SNVBAGLBSA-N -1 1 384.408 -0.838 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574439240 949002006 /nfs/dbraw/zinc/00/20/06/949002006.db2.gz DKKFXSALRSLIJJ-AOOOYVTPSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574439240 949001992 /nfs/dbraw/zinc/00/19/92/949001992.db2.gz DKKFXSALRSLIJJ-AOOOYVTPSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574439241 949001297 /nfs/dbraw/zinc/00/12/97/949001297.db2.gz DKKFXSALRSLIJJ-MGCOHNPYSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574439241 949001279 /nfs/dbraw/zinc/00/12/79/949001279.db2.gz DKKFXSALRSLIJJ-MGCOHNPYSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574439877 949015484 /nfs/dbraw/zinc/01/54/84/949015484.db2.gz LDNIMUIDLRAXSM-MRVPVSSYSA-N -1 1 390.433 -0.744 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574439878 949015824 /nfs/dbraw/zinc/01/58/24/949015824.db2.gz LDNIMUIDLRAXSM-QMMMGPOBSA-N -1 1 390.433 -0.744 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574440103 949021254 /nfs/dbraw/zinc/02/12/54/949021254.db2.gz NNFIJIPPCTWIBI-MRVPVSSYSA-N -1 1 390.433 -0.744 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574440104 949023836 /nfs/dbraw/zinc/02/38/36/949023836.db2.gz NNFIJIPPCTWIBI-QMMMGPOBSA-N -1 1 390.433 -0.744 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574440139 949024137 /nfs/dbraw/zinc/02/41/37/949024137.db2.gz OOVRYNGBINPTIX-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574440139 949024120 /nfs/dbraw/zinc/02/41/20/949024120.db2.gz OOVRYNGBINPTIX-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574440140 949024092 /nfs/dbraw/zinc/02/40/92/949024092.db2.gz OOVRYNGBINPTIX-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574440140 949024076 /nfs/dbraw/zinc/02/40/76/949024076.db2.gz OOVRYNGBINPTIX-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574440156 949024720 /nfs/dbraw/zinc/02/47/20/949024720.db2.gz PAGCSKKXFHOVBT-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574440156 949024700 /nfs/dbraw/zinc/02/47/00/949024700.db2.gz PAGCSKKXFHOVBT-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574440158 949022214 /nfs/dbraw/zinc/02/22/14/949022214.db2.gz PAGCSKKXFHOVBT-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574440158 949022200 /nfs/dbraw/zinc/02/22/00/949022200.db2.gz PAGCSKKXFHOVBT-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574440509 949029595 /nfs/dbraw/zinc/02/95/95/949029595.db2.gz QOUJOWJFKRITNN-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574440509 949029580 /nfs/dbraw/zinc/02/95/80/949029580.db2.gz QOUJOWJFKRITNN-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574440510 949026583 /nfs/dbraw/zinc/02/65/83/949026583.db2.gz QOUJOWJFKRITNN-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574440510 949026568 /nfs/dbraw/zinc/02/65/68/949026568.db2.gz QOUJOWJFKRITNN-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001574440860 949044587 /nfs/dbraw/zinc/04/45/87/949044587.db2.gz WUUHDCRLGXQXME-MNOVXSKESA-N -1 1 398.435 -0.450 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001574440860 949044569 /nfs/dbraw/zinc/04/45/69/949044569.db2.gz WUUHDCRLGXQXME-MNOVXSKESA-N -1 1 398.435 -0.450 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574440867 949041525 /nfs/dbraw/zinc/04/15/25/949041525.db2.gz XHCZWAAISGTQAV-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574440867 949041505 /nfs/dbraw/zinc/04/15/05/949041505.db2.gz XHCZWAAISGTQAV-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574440868 949044697 /nfs/dbraw/zinc/04/46/97/949044697.db2.gz XHCZWAAISGTQAV-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574440868 949044683 /nfs/dbraw/zinc/04/46/83/949044683.db2.gz XHCZWAAISGTQAV-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574440964 949048434 /nfs/dbraw/zinc/04/84/34/949048434.db2.gz ZUJDODBKHZYWSU-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574440964 949048418 /nfs/dbraw/zinc/04/84/18/949048418.db2.gz ZUJDODBKHZYWSU-MRVPVSSYSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574440965 949047588 /nfs/dbraw/zinc/04/75/88/949047588.db2.gz ZUJDODBKHZYWSU-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574440965 949047572 /nfs/dbraw/zinc/04/75/72/949047572.db2.gz ZUJDODBKHZYWSU-QMMMGPOBSA-N -1 1 390.433 -0.166 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574440968 949050332 /nfs/dbraw/zinc/05/03/32/949050332.db2.gz ZWQWJFOWBHJBIX-AOOOYVTPSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574440968 949050307 /nfs/dbraw/zinc/05/03/07/949050307.db2.gz ZWQWJFOWBHJBIX-AOOOYVTPSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574440969 949047319 /nfs/dbraw/zinc/04/73/19/949047319.db2.gz ZWQWJFOWBHJBIX-MGCOHNPYSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574440969 949047301 /nfs/dbraw/zinc/04/73/01/949047301.db2.gz ZWQWJFOWBHJBIX-MGCOHNPYSA-N -1 1 384.408 -0.474 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574441026 949049306 /nfs/dbraw/zinc/04/93/06/949049306.db2.gz FDEAXYCNHQHMIK-NEPJUHHUSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001574441026 949049287 /nfs/dbraw/zinc/04/92/87/949049287.db2.gz FDEAXYCNHQHMIK-NEPJUHHUSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574441029 949048607 /nfs/dbraw/zinc/04/86/07/949048607.db2.gz FDEAXYCNHQHMIK-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001574441029 949048586 /nfs/dbraw/zinc/04/85/86/949048586.db2.gz FDEAXYCNHQHMIK-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001574441515 949065000 /nfs/dbraw/zinc/06/50/00/949065000.db2.gz NNQFLGLPHYPVCB-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001574441515 949064981 /nfs/dbraw/zinc/06/49/81/949064981.db2.gz NNQFLGLPHYPVCB-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001574441516 949060456 /nfs/dbraw/zinc/06/04/56/949060456.db2.gz NNQFLGLPHYPVCB-MNOVXSKESA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001574441516 949060437 /nfs/dbraw/zinc/06/04/37/949060437.db2.gz NNQFLGLPHYPVCB-MNOVXSKESA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001574441710 949073268 /nfs/dbraw/zinc/07/32/68/949073268.db2.gz TVSRXQBMSSFMND-NEPJUHHUSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001574441710 949073243 /nfs/dbraw/zinc/07/32/43/949073243.db2.gz TVSRXQBMSSFMND-NEPJUHHUSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574441711 949073714 /nfs/dbraw/zinc/07/37/14/949073714.db2.gz TVSRXQBMSSFMND-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574441711 949073695 /nfs/dbraw/zinc/07/36/95/949073695.db2.gz TVSRXQBMSSFMND-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574441741 949071060 /nfs/dbraw/zinc/07/10/60/949071060.db2.gz VOFOMQHKAHNTRD-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574446849 949141654 /nfs/dbraw/zinc/14/16/54/949141654.db2.gz YFQUUZIQJPRXPC-UHFFFAOYSA-N -1 1 387.404 -0.263 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574446946 949146683 /nfs/dbraw/zinc/14/66/83/949146683.db2.gz BZUNLKIEELHNTR-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574446946 949146676 /nfs/dbraw/zinc/14/66/76/949146676.db2.gz BZUNLKIEELHNTR-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001574446947 949145653 /nfs/dbraw/zinc/14/56/53/949145653.db2.gz BZUNLKIEELHNTR-MNOVXSKESA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001574446947 949145636 /nfs/dbraw/zinc/14/56/36/949145636.db2.gz BZUNLKIEELHNTR-MNOVXSKESA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001574447130 949155188 /nfs/dbraw/zinc/15/51/88/949155188.db2.gz HNIHSFVJSCEFOY-ZJUUUORDSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001574447130 949155176 /nfs/dbraw/zinc/15/51/76/949155176.db2.gz HNIHSFVJSCEFOY-ZJUUUORDSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574447633 949167657 /nfs/dbraw/zinc/16/76/57/949167657.db2.gz VKMACSGEFUTHHE-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001574447633 949167648 /nfs/dbraw/zinc/16/76/48/949167648.db2.gz VKMACSGEFUTHHE-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574447634 949166011 /nfs/dbraw/zinc/16/60/11/949166011.db2.gz VKMACSGEFUTHHE-MNOVXSKESA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001574447634 949165996 /nfs/dbraw/zinc/16/59/96/949165996.db2.gz VKMACSGEFUTHHE-MNOVXSKESA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574447663 949170324 /nfs/dbraw/zinc/17/03/24/949170324.db2.gz WKMIALCGDSQGPH-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574447663 949170304 /nfs/dbraw/zinc/17/03/04/949170304.db2.gz WKMIALCGDSQGPH-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574447992 949174554 /nfs/dbraw/zinc/17/45/54/949174554.db2.gz AVKSPTWJSNWDIT-JTQLQIEISA-N -1 1 387.404 -0.265 20 0 GBADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574447993 949173399 /nfs/dbraw/zinc/17/33/99/949173399.db2.gz AVKSPTWJSNWDIT-SNVBAGLBSA-N -1 1 387.404 -0.265 20 0 GBADMM CC(C)c1oncc1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574447997 949174599 /nfs/dbraw/zinc/17/45/99/949174599.db2.gz AZSVTBNVZUCDEG-UHFFFAOYSA-N -1 1 387.404 -0.263 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574451347 949231588 /nfs/dbraw/zinc/23/15/88/949231588.db2.gz NFZHHFBUILBUFT-NEPJUHHUSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574451347 949231566 /nfs/dbraw/zinc/23/15/66/949231566.db2.gz NFZHHFBUILBUFT-NEPJUHHUSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574451348 949235109 /nfs/dbraw/zinc/23/51/09/949235109.db2.gz NFZHHFBUILBUFT-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574451348 949235095 /nfs/dbraw/zinc/23/50/95/949235095.db2.gz NFZHHFBUILBUFT-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574451398 949231691 /nfs/dbraw/zinc/23/16/91/949231691.db2.gz PCISMDPFKOLQGQ-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574451399 949231768 /nfs/dbraw/zinc/23/17/68/949231768.db2.gz PDRGXTZBRINIJI-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574451399 949231750 /nfs/dbraw/zinc/23/17/50/949231750.db2.gz PDRGXTZBRINIJI-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574451429 949232855 /nfs/dbraw/zinc/23/28/55/949232855.db2.gz PMNXWXSIMIYXQP-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001574451429 949232833 /nfs/dbraw/zinc/23/28/33/949232833.db2.gz PMNXWXSIMIYXQP-VXGBXAGGSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001574451451 949230974 /nfs/dbraw/zinc/23/09/74/949230974.db2.gz PTPDPVPEMFOERB-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001574451451 949230951 /nfs/dbraw/zinc/23/09/51/949230951.db2.gz PTPDPVPEMFOERB-GHMZBOCLSA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001574451455 949234942 /nfs/dbraw/zinc/23/49/42/949234942.db2.gz PTPDPVPEMFOERB-MNOVXSKESA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001574451455 949234926 /nfs/dbraw/zinc/23/49/26/949234926.db2.gz PTPDPVPEMFOERB-MNOVXSKESA-N -1 1 385.388 -0.252 20 0 GBADMM CC(C)c1scnc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574451541 949239003 /nfs/dbraw/zinc/23/90/03/949239003.db2.gz ROQCKSPSDPIYCS-SECBINFHSA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1scnc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574451542 949240031 /nfs/dbraw/zinc/24/00/31/949240031.db2.gz ROQCKSPSDPIYCS-VIFPVBQESA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574451805 949248834 /nfs/dbraw/zinc/24/88/34/949248834.db2.gz ZLGAUAFUUVSWCY-SECBINFHSA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574451806 949246650 /nfs/dbraw/zinc/24/66/50/949246650.db2.gz ZLGAUAFUUVSWCY-VIFPVBQESA-N -1 1 389.445 -0.139 20 0 GBADMM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574452005 949255156 /nfs/dbraw/zinc/25/51/56/949255156.db2.gz DVBYZWOLOVEWMI-GFCCVEGCSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574452005 949255135 /nfs/dbraw/zinc/25/51/35/949255135.db2.gz DVBYZWOLOVEWMI-GFCCVEGCSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574452006 949254535 /nfs/dbraw/zinc/25/45/35/949254535.db2.gz DVBYZWOLOVEWMI-LBPRGKRZSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574452006 949254511 /nfs/dbraw/zinc/25/45/11/949254511.db2.gz DVBYZWOLOVEWMI-LBPRGKRZSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574452207 949254131 /nfs/dbraw/zinc/25/41/31/949254131.db2.gz GFTHUXVQFXXHCH-UHFFFAOYSA-N -1 1 386.420 -0.597 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574452269 949258715 /nfs/dbraw/zinc/25/87/15/949258715.db2.gz IKSBDPPIOXMTEP-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574452269 949258687 /nfs/dbraw/zinc/25/86/87/949258687.db2.gz IKSBDPPIOXMTEP-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574452470 949264402 /nfs/dbraw/zinc/26/44/02/949264402.db2.gz KHDNULPIZRJIRX-GFCCVEGCSA-N -1 1 386.420 -0.599 20 0 GBADMM CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574452471 949262821 /nfs/dbraw/zinc/26/28/21/949262821.db2.gz KHDNULPIZRJIRX-LBPRGKRZSA-N -1 1 386.420 -0.599 20 0 GBADMM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574452502 949261440 /nfs/dbraw/zinc/26/14/40/949261440.db2.gz LJKABFVKPJZFKV-GFCCVEGCSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574452502 949261421 /nfs/dbraw/zinc/26/14/21/949261421.db2.gz LJKABFVKPJZFKV-GFCCVEGCSA-N 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CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001574452527 949261846 /nfs/dbraw/zinc/26/18/46/949261846.db2.gz MDEJBAJCFNSHMH-LBPRGKRZSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574452855 949269791 /nfs/dbraw/zinc/26/97/91/949269791.db2.gz OMGHGBKEIIPMLC-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574452855 949269779 /nfs/dbraw/zinc/26/97/79/949269779.db2.gz OMGHGBKEIIPMLC-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574452863 949268034 /nfs/dbraw/zinc/26/80/34/949268034.db2.gz OXGCVDDMJLQLAE-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574452863 949268012 /nfs/dbraw/zinc/26/80/12/949268012.db2.gz OXGCVDDMJLQLAE-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)cn1 ZINC001574453006 949278019 /nfs/dbraw/zinc/27/80/19/949278019.db2.gz VGVMXZFCSULWKZ-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cc(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)cn1 ZINC001574453006 949277997 /nfs/dbraw/zinc/27/79/97/949277997.db2.gz VGVMXZFCSULWKZ-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cc(NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)cn1 ZINC001574454746 949286212 /nfs/dbraw/zinc/28/62/12/949286212.db2.gz BUCQFMQYJGBSNQ-UHFFFAOYSA-N -1 1 386.376 -0.005 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cn1 ZINC001574454803 949290841 /nfs/dbraw/zinc/29/08/41/949290841.db2.gz FZGFPLUKTCMTFS-NEPJUHHUSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)cn1 ZINC001574454932 949293667 /nfs/dbraw/zinc/29/36/67/949293667.db2.gz HZQBVUGKAMKCGL-CHWSQXEVSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)cn1 ZINC001574454932 949293644 /nfs/dbraw/zinc/29/36/44/949293644.db2.gz HZQBVUGKAMKCGL-CHWSQXEVSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)cn1 ZINC001574454933 949295956 /nfs/dbraw/zinc/29/59/56/949295956.db2.gz HZQBVUGKAMKCGL-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)cn1 ZINC001574454933 949295934 /nfs/dbraw/zinc/29/59/34/949295934.db2.gz HZQBVUGKAMKCGL-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)cn1 ZINC001574454952 949292769 /nfs/dbraw/zinc/29/27/69/949292769.db2.gz IUIZCKHEWQEYKB-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)cn1 ZINC001574454952 949292749 /nfs/dbraw/zinc/29/27/49/949292749.db2.gz IUIZCKHEWQEYKB-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)cn1 ZINC001574455385 949307088 /nfs/dbraw/zinc/30/70/88/949307088.db2.gz PYJPGIGTRAFUKE-NEPJUHHUSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)cn1 ZINC001574455385 949307071 /nfs/dbraw/zinc/30/70/71/949307071.db2.gz PYJPGIGTRAFUKE-NEPJUHHUSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)cn1 ZINC001574455387 949307203 /nfs/dbraw/zinc/30/72/03/949307203.db2.gz PYJPGIGTRAFUKE-VXGBXAGGSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)cn1 ZINC001574455387 949307180 /nfs/dbraw/zinc/30/71/80/949307180.db2.gz PYJPGIGTRAFUKE-VXGBXAGGSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)cn1 ZINC001574455658 949311237 /nfs/dbraw/zinc/31/12/37/949311237.db2.gz USSWHTLABPFAKV-CHWSQXEVSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)cn1 ZINC001574455658 949311215 /nfs/dbraw/zinc/31/12/15/949311215.db2.gz USSWHTLABPFAKV-CHWSQXEVSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)cn1 ZINC001574455659 949312550 /nfs/dbraw/zinc/31/25/50/949312550.db2.gz USSWHTLABPFAKV-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)cn1 ZINC001574455659 949312531 /nfs/dbraw/zinc/31/25/31/949312531.db2.gz USSWHTLABPFAKV-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)n1 ZINC001574457206 949317674 /nfs/dbraw/zinc/31/76/74/949317674.db2.gz BMALHWRVYDLFLU-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)n1 ZINC001574457206 949317658 /nfs/dbraw/zinc/31/76/58/949317658.db2.gz BMALHWRVYDLFLU-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574457258 949320789 /nfs/dbraw/zinc/32/07/89/949320789.db2.gz DXNDLMJORCHSGR-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574457258 949320770 /nfs/dbraw/zinc/32/07/70/949320770.db2.gz DXNDLMJORCHSGR-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574457259 949319879 /nfs/dbraw/zinc/31/98/79/949319879.db2.gz DXNDLMJORCHSGR-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574457259 949319857 /nfs/dbraw/zinc/31/98/57/949319857.db2.gz DXNDLMJORCHSGR-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)n1 ZINC001574457266 949322763 /nfs/dbraw/zinc/32/27/63/949322763.db2.gz FCGHBTCEKGWJQN-CHWSQXEVSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)n1 ZINC001574457266 949322741 /nfs/dbraw/zinc/32/27/41/949322741.db2.gz FCGHBTCEKGWJQN-CHWSQXEVSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574457269 949324042 /nfs/dbraw/zinc/32/40/42/949324042.db2.gz FFFHIINMYPBHJM-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1ccc(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574457269 949324023 /nfs/dbraw/zinc/32/40/23/949324023.db2.gz FFFHIINMYPBHJM-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1ccc(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574457593 949328018 /nfs/dbraw/zinc/32/80/18/949328018.db2.gz KROHFOKJWJPBGA-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1ccc(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574457593 949327996 /nfs/dbraw/zinc/32/79/96/949327996.db2.gz KROHFOKJWJPBGA-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)n1 ZINC001574457626 949331291 /nfs/dbraw/zinc/33/12/91/949331291.db2.gz LUXZOXWQTORHRA-NEPJUHHUSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)n1 ZINC001574457626 949331268 /nfs/dbraw/zinc/33/12/68/949331268.db2.gz LUXZOXWQTORHRA-NEPJUHHUSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)n1 ZINC001574457628 949333858 /nfs/dbraw/zinc/33/38/58/949333858.db2.gz LUXZOXWQTORHRA-VXGBXAGGSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)n1 ZINC001574457628 949333831 /nfs/dbraw/zinc/33/38/31/949333831.db2.gz LUXZOXWQTORHRA-VXGBXAGGSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574458140 949336668 /nfs/dbraw/zinc/33/66/68/949336668.db2.gz PPFQSNDLPRPUEW-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574458140 949336640 /nfs/dbraw/zinc/33/66/40/949336640.db2.gz PPFQSNDLPRPUEW-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574458143 949337009 /nfs/dbraw/zinc/33/70/09/949337009.db2.gz PPFQSNDLPRPUEW-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574458143 949336989 /nfs/dbraw/zinc/33/69/89/949336989.db2.gz PPFQSNDLPRPUEW-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574458225 949334678 /nfs/dbraw/zinc/33/46/78/949334678.db2.gz RCFNIXUJFSMRMV-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574458225 949334652 /nfs/dbraw/zinc/33/46/52/949334652.db2.gz RCFNIXUJFSMRMV-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574458228 949339346 /nfs/dbraw/zinc/33/93/46/949339346.db2.gz RCFNIXUJFSMRMV-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574458228 949339327 /nfs/dbraw/zinc/33/93/27/949339327.db2.gz RCFNIXUJFSMRMV-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574458309 949342964 /nfs/dbraw/zinc/34/29/64/949342964.db2.gz SLOLYDFDNOXHIR-LLVKDONJSA-N -1 1 386.420 -0.599 20 0 GBADMM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574458313 949341741 /nfs/dbraw/zinc/34/17/41/949341741.db2.gz SLOLYDFDNOXHIR-NSHDSACASA-N -1 1 386.420 -0.599 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)n1 ZINC001574458577 949344096 /nfs/dbraw/zinc/34/40/96/949344096.db2.gz TVUOFYUJHUUBEV-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)n1 ZINC001574458577 949344074 /nfs/dbraw/zinc/34/40/74/949344074.db2.gz TVUOFYUJHUUBEV-OLZOCXBDSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1ccc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574458621 949339613 /nfs/dbraw/zinc/33/96/13/949339613.db2.gz UPAVJSYRSJOLMR-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1ccc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574458621 949339596 /nfs/dbraw/zinc/33/95/96/949339596.db2.gz UPAVJSYRSJOLMR-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1ccc(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574458677 949347823 /nfs/dbraw/zinc/34/78/23/949347823.db2.gz XJRRPZQXATTXDT-UHFFFAOYSA-N -1 1 386.420 -0.597 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574459321 949351771 /nfs/dbraw/zinc/35/17/71/949351771.db2.gz AMCTYFYJOWQENM-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574459321 949351752 /nfs/dbraw/zinc/35/17/52/949351752.db2.gz AMCTYFYJOWQENM-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574459322 949353773 /nfs/dbraw/zinc/35/37/73/949353773.db2.gz AMCTYFYJOWQENM-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574459322 949353751 /nfs/dbraw/zinc/35/37/51/949353751.db2.gz AMCTYFYJOWQENM-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)n1 ZINC001574459382 949355261 /nfs/dbraw/zinc/35/52/61/949355261.db2.gz DCEOIQWRPDNNEY-ZIAGYGMSSA-N -1 1 398.431 -0.658 20 0 GBADMM CC(C)n1ccc(CC(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)n1 ZINC001574459382 949355240 /nfs/dbraw/zinc/35/52/40/949355240.db2.gz DCEOIQWRPDNNEY-ZIAGYGMSSA-N -1 1 398.431 -0.658 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574459431 949357995 /nfs/dbraw/zinc/35/79/95/949357995.db2.gz GCAPAZMFTCLRTL-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574459431 949357973 /nfs/dbraw/zinc/35/79/73/949357973.db2.gz GCAPAZMFTCLRTL-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574459432 949355467 /nfs/dbraw/zinc/35/54/67/949355467.db2.gz GCAPAZMFTCLRTL-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574459432 949355447 /nfs/dbraw/zinc/35/54/47/949355447.db2.gz GCAPAZMFTCLRTL-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574459448 949356297 /nfs/dbraw/zinc/35/62/97/949356297.db2.gz HAXUUXVLHQEWBE-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574459448 949356276 /nfs/dbraw/zinc/35/62/76/949356276.db2.gz HAXUUXVLHQEWBE-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574459449 949357080 /nfs/dbraw/zinc/35/70/80/949357080.db2.gz HAXUUXVLHQEWBE-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574459449 949357056 /nfs/dbraw/zinc/35/70/56/949357056.db2.gz HAXUUXVLHQEWBE-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574459483 949363634 /nfs/dbraw/zinc/36/36/34/949363634.db2.gz IGXBUEAFHMLARY-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574459483 949363615 /nfs/dbraw/zinc/36/36/15/949363615.db2.gz IGXBUEAFHMLARY-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574459485 949363750 /nfs/dbraw/zinc/36/37/50/949363750.db2.gz IGXBUEAFHMLARY-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574459485 949363722 /nfs/dbraw/zinc/36/37/22/949363722.db2.gz IGXBUEAFHMLARY-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001574459853 949366194 /nfs/dbraw/zinc/36/61/94/949366194.db2.gz MLWPMRFEETXBGV-UHFFFAOYSA-N -1 1 388.392 -0.594 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574459854 949364974 /nfs/dbraw/zinc/36/49/74/949364974.db2.gz MNZKFHMGSQGNBR-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574459854 949364951 /nfs/dbraw/zinc/36/49/51/949364951.db2.gz MNZKFHMGSQGNBR-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574459855 949365159 /nfs/dbraw/zinc/36/51/59/949365159.db2.gz MNZKFHMGSQGNBR-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574459855 949365137 /nfs/dbraw/zinc/36/51/37/949365137.db2.gz MNZKFHMGSQGNBR-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574460180 949374934 /nfs/dbraw/zinc/37/49/34/949374934.db2.gz ROULANMCWDSQOM-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574460180 949374921 /nfs/dbraw/zinc/37/49/21/949374921.db2.gz ROULANMCWDSQOM-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574460181 949374111 /nfs/dbraw/zinc/37/41/11/949374111.db2.gz ROULANMCWDSQOM-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574460181 949374092 /nfs/dbraw/zinc/37/40/92/949374092.db2.gz ROULANMCWDSQOM-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)n1 ZINC001574460630 949379083 /nfs/dbraw/zinc/37/90/83/949379083.db2.gz UTGRRYOYWZZAEB-OLZOCXBDSA-N -1 1 398.431 -0.658 20 0 GBADMM CC(C)n1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)n1 ZINC001574460630 949379060 /nfs/dbraw/zinc/37/90/60/949379060.db2.gz UTGRRYOYWZZAEB-OLZOCXBDSA-N -1 1 398.431 -0.658 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574460709 949380790 /nfs/dbraw/zinc/38/07/90/949380790.db2.gz YKJGLNQSLXEWCD-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574460709 949380769 /nfs/dbraw/zinc/38/07/69/949380769.db2.gz YKJGLNQSLXEWCD-GFCCVEGCSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574460710 949385206 /nfs/dbraw/zinc/38/52/06/949385206.db2.gz YKJGLNQSLXEWCD-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574460710 949385181 /nfs/dbraw/zinc/38/51/81/949385181.db2.gz YKJGLNQSLXEWCD-LBPRGKRZSA-N -1 1 386.420 -0.434 20 0 GBADMM Cn1cnnc1COCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001574462255 961539313 /nfs/dbraw/zinc/53/93/13/961539313.db2.gz HDJBSIQSXDGNHN-GZMMTYOYSA-N -1 1 393.322 -0.546 20 0 GBADMM Cn1cnnc1COCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001574462256 961538882 /nfs/dbraw/zinc/53/88/82/961538882.db2.gz HDJBSIQSXDGNHN-KCJUWKMLSA-N -1 1 393.322 -0.546 20 0 GBADMM Cn1cnnc1COCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001574462257 961538078 /nfs/dbraw/zinc/53/80/78/961538078.db2.gz HDJBSIQSXDGNHN-KWQFWETISA-N -1 1 393.322 -0.546 20 0 GBADMM Cn1cnnc1COCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001574462258 961538232 /nfs/dbraw/zinc/53/82/32/961538232.db2.gz HDJBSIQSXDGNHN-LDYMZIIASA-N -1 1 393.322 -0.546 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464133 949397621 /nfs/dbraw/zinc/39/76/21/949397621.db2.gz GPTUVJMVWNLEFJ-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464133 949397597 /nfs/dbraw/zinc/39/75/97/949397597.db2.gz GPTUVJMVWNLEFJ-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464134 949397760 /nfs/dbraw/zinc/39/77/60/949397760.db2.gz GPTUVJMVWNLEFJ-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464134 949397739 /nfs/dbraw/zinc/39/77/39/949397739.db2.gz GPTUVJMVWNLEFJ-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[n-]n2)c1 ZINC001574464171 949398484 /nfs/dbraw/zinc/39/84/84/949398484.db2.gz IBXZYTNGZFBZBH-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nnn[n-]2)c1 ZINC001574464171 949398463 /nfs/dbraw/zinc/39/84/63/949398463.db2.gz IBXZYTNGZFBZBH-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[n-]n2)c1 ZINC001574464172 949399844 /nfs/dbraw/zinc/39/98/44/949399844.db2.gz IBXZYTNGZFBZBH-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nnn[n-]2)c1 ZINC001574464172 949399821 /nfs/dbraw/zinc/39/98/21/949399821.db2.gz IBXZYTNGZFBZBH-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464182 949402676 /nfs/dbraw/zinc/40/26/76/949402676.db2.gz IHDIJYYVZQCSNC-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cnc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464182 949402662 /nfs/dbraw/zinc/40/26/62/949402662.db2.gz IHDIJYYVZQCSNC-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cnc(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)c1 ZINC001574464399 949412142 /nfs/dbraw/zinc/41/21/42/949412142.db2.gz NTZSRLKQRPNQGH-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cnc(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)c1 ZINC001574464399 949412125 /nfs/dbraw/zinc/41/21/25/949412125.db2.gz NTZSRLKQRPNQGH-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001574464645 949419450 /nfs/dbraw/zinc/41/94/50/949419450.db2.gz PQWKSFRIYXBAHQ-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001574464645 949419436 /nfs/dbraw/zinc/41/94/36/949419436.db2.gz PQWKSFRIYXBAHQ-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001574464646 949419904 /nfs/dbraw/zinc/41/99/04/949419904.db2.gz PQWKSFRIYXBAHQ-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001574464646 949419885 /nfs/dbraw/zinc/41/98/85/949419885.db2.gz PQWKSFRIYXBAHQ-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574464685 949423806 /nfs/dbraw/zinc/42/38/06/949423806.db2.gz RLDNBJMYKDPLGL-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574464685 949423790 /nfs/dbraw/zinc/42/37/90/949423790.db2.gz RLDNBJMYKDPLGL-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574464686 949426054 /nfs/dbraw/zinc/42/60/54/949426054.db2.gz RLDNBJMYKDPLGL-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574464686 949426038 /nfs/dbraw/zinc/42/60/38/949426038.db2.gz RLDNBJMYKDPLGL-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574464695 949423728 /nfs/dbraw/zinc/42/37/28/949423728.db2.gz SEGIUWMJVDXFLI-LLVKDONJSA-N -1 1 386.420 -0.599 20 0 GBADMM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574464696 949425583 /nfs/dbraw/zinc/42/55/83/949425583.db2.gz SEGIUWMJVDXFLI-NSHDSACASA-N -1 1 386.420 -0.599 20 0 GBADMM CC(C)n1cnc(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574465093 949431015 /nfs/dbraw/zinc/43/10/15/949431015.db2.gz XDMJVNCATUMFEO-UHFFFAOYSA-N -1 1 386.420 -0.597 20 0 GBADMM CC(C)n1cnc(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001574465449 949438923 /nfs/dbraw/zinc/43/89/23/949438923.db2.gz YLEZIJIUNFZDED-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cnc(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001574465449 949438903 /nfs/dbraw/zinc/43/89/03/949438903.db2.gz YLEZIJIUNFZDED-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574467950 949449204 /nfs/dbraw/zinc/44/92/04/949449204.db2.gz ANRZLPIKADYWBY-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574467950 949449182 /nfs/dbraw/zinc/44/91/82/949449182.db2.gz ANRZLPIKADYWBY-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574467951 949446657 /nfs/dbraw/zinc/44/66/57/949446657.db2.gz ANRZLPIKADYWBY-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574467951 949446637 /nfs/dbraw/zinc/44/66/37/949446637.db2.gz ANRZLPIKADYWBY-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574468012 949452697 /nfs/dbraw/zinc/45/26/97/949452697.db2.gz DGWCPBONAMXETK-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1nccc1C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574468012 949452689 /nfs/dbraw/zinc/45/26/89/949452689.db2.gz DGWCPBONAMXETK-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1nccc1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574468013 949453200 /nfs/dbraw/zinc/45/32/00/949453200.db2.gz DHKAQRPAPJVNOB-UHFFFAOYSA-N -1 1 386.420 -0.597 20 0 GBADMM CC(C)n1nccc1C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001574468073 949457742 /nfs/dbraw/zinc/45/77/42/949457742.db2.gz HJGLDYOOXKNSAD-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1nccc1C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001574468073 949457733 /nfs/dbraw/zinc/45/77/33/949457733.db2.gz HJGLDYOOXKNSAD-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cnnc1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001574468533 949461551 /nfs/dbraw/zinc/46/15/51/949461551.db2.gz OEPHTZKHLIDKPK-UHFFFAOYSA-N -1 1 386.420 -0.190 20 0 GBADMM CC(C)n1cnnc1CN(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574468555 949464273 /nfs/dbraw/zinc/46/42/73/949464273.db2.gz PPFQBBLDBOBJFA-UHFFFAOYSA-N -1 1 388.392 -0.650 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574468560 949463285 /nfs/dbraw/zinc/46/32/85/949463285.db2.gz PTDCPFMOJBPSCL-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574468560 949463269 /nfs/dbraw/zinc/46/32/69/949463269.db2.gz PTDCPFMOJBPSCL-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574468561 949460526 /nfs/dbraw/zinc/46/05/26/949460526.db2.gz PTDCPFMOJBPSCL-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574468561 949460513 /nfs/dbraw/zinc/46/05/13/949460513.db2.gz PTDCPFMOJBPSCL-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)c1 ZINC001574468567 949468755 /nfs/dbraw/zinc/46/87/55/949468755.db2.gz PXBUICLKORLDFW-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)c1 ZINC001574468567 949468740 /nfs/dbraw/zinc/46/87/40/949468740.db2.gz PXBUICLKORLDFW-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574468864 949466949 /nfs/dbraw/zinc/46/69/49/949466949.db2.gz UOVAEFNBDALAGQ-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574468864 949466933 /nfs/dbraw/zinc/46/69/33/949466933.db2.gz UOVAEFNBDALAGQ-LLVKDONJSA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574468868 949467196 /nfs/dbraw/zinc/46/71/96/949467196.db2.gz UOVAEFNBDALAGQ-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574468868 949467184 /nfs/dbraw/zinc/46/71/84/949467184.db2.gz UOVAEFNBDALAGQ-NSHDSACASA-N -1 1 386.420 -0.021 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)c1 ZINC001574468891 949470261 /nfs/dbraw/zinc/47/02/61/949470261.db2.gz UWUSUYFLZOGKKR-PWSUYJOCSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)c1 ZINC001574468891 949470243 /nfs/dbraw/zinc/47/02/43/949470243.db2.gz UWUSUYFLZOGKKR-PWSUYJOCSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)c1 ZINC001574468895 949471217 /nfs/dbraw/zinc/47/12/17/949471217.db2.gz UWUSUYFLZOGKKR-ZYHUDNBSSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)c1 ZINC001574468895 949471204 /nfs/dbraw/zinc/47/12/04/949471204.db2.gz UWUSUYFLZOGKKR-ZYHUDNBSSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)c1 ZINC001574468930 949471572 /nfs/dbraw/zinc/47/15/72/949471572.db2.gz VITCHFNEMZGSEO-DGCLKSJQSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)c1 ZINC001574468930 949471555 /nfs/dbraw/zinc/47/15/55/949471555.db2.gz VITCHFNEMZGSEO-DGCLKSJQSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)c1 ZINC001574468933 949473127 /nfs/dbraw/zinc/47/31/27/949473127.db2.gz VITCHFNEMZGSEO-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)c1 ZINC001574468933 949473116 /nfs/dbraw/zinc/47/31/16/949473116.db2.gz VITCHFNEMZGSEO-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574468952 949471846 /nfs/dbraw/zinc/47/18/46/949471846.db2.gz WDLNGQRXUNIOKJ-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1nccc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574468952 949471834 /nfs/dbraw/zinc/47/18/34/949471834.db2.gz WDLNGQRXUNIOKJ-UHFFFAOYSA-N -1 1 386.420 -0.019 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)c1 ZINC001574469255 949475632 /nfs/dbraw/zinc/47/56/32/949475632.db2.gz ZOIJKNVMTMBSHA-PWSUYJOCSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)c1 ZINC001574469257 949475877 /nfs/dbraw/zinc/47/58/77/949475877.db2.gz ZOIJKNVMTMBSHA-ZYHUDNBSSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574469828 949485605 /nfs/dbraw/zinc/48/56/05/949485605.db2.gz HWBNXPCDXZMMJF-DGCLKSJQSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001574469828 949485585 /nfs/dbraw/zinc/48/55/85/949485585.db2.gz HWBNXPCDXZMMJF-DGCLKSJQSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574469829 949486020 /nfs/dbraw/zinc/48/60/20/949486020.db2.gz HWBNXPCDXZMMJF-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001574469829 949486008 /nfs/dbraw/zinc/48/60/08/949486008.db2.gz HWBNXPCDXZMMJF-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574470023 949488743 /nfs/dbraw/zinc/48/87/43/949488743.db2.gz KNNACXQIQWGLRP-DGCLKSJQSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574470023 949488732 /nfs/dbraw/zinc/48/87/32/949488732.db2.gz KNNACXQIQWGLRP-DGCLKSJQSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001574470025 949490077 /nfs/dbraw/zinc/49/00/77/949490077.db2.gz KNNACXQIQWGLRP-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001574470025 949490066 /nfs/dbraw/zinc/49/00/66/949490066.db2.gz KNNACXQIQWGLRP-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574470159 949490206 /nfs/dbraw/zinc/49/02/06/949490206.db2.gz NVEKUBFEHDAOQU-PWSUYJOCSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574470160 949489635 /nfs/dbraw/zinc/48/96/35/949489635.db2.gz NVEKUBFEHDAOQU-ZYHUDNBSSA-N -1 1 384.404 -0.586 20 0 GBADMM C[C@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)NC(N)=O ZINC001574470306 949494217 /nfs/dbraw/zinc/49/42/17/949494217.db2.gz AYKCVQAEGDZKIE-BXKDBHETSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)NC(N)=O ZINC001574470306 949494203 /nfs/dbraw/zinc/49/42/03/949494203.db2.gz AYKCVQAEGDZKIE-BXKDBHETSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)NC(N)=O ZINC001574470307 949493824 /nfs/dbraw/zinc/49/38/24/949493824.db2.gz AYKCVQAEGDZKIE-CABZTGNLSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)NC(N)=O ZINC001574470307 949493813 /nfs/dbraw/zinc/49/38/13/949493813.db2.gz AYKCVQAEGDZKIE-CABZTGNLSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)NC(N)=O ZINC001574470309 949493349 /nfs/dbraw/zinc/49/33/49/949493349.db2.gz AYKCVQAEGDZKIE-JOYOIKCWSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)NC(N)=O ZINC001574470309 949493333 /nfs/dbraw/zinc/49/33/33/949493333.db2.gz AYKCVQAEGDZKIE-JOYOIKCWSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)NC(N)=O ZINC001574470310 949494759 /nfs/dbraw/zinc/49/47/59/949494759.db2.gz AYKCVQAEGDZKIE-SKDRFNHKSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)NC(N)=O ZINC001574470310 949494737 /nfs/dbraw/zinc/49/47/37/949494737.db2.gz AYKCVQAEGDZKIE-SKDRFNHKSA-N -1 1 388.436 -0.248 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574470775 949513848 /nfs/dbraw/zinc/51/38/48/949513848.db2.gz UKORURQPCDKQGH-DGCLKSJQSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574470775 949513835 /nfs/dbraw/zinc/51/38/35/949513835.db2.gz UKORURQPCDKQGH-DGCLKSJQSA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574470777 949514196 /nfs/dbraw/zinc/51/41/96/949514196.db2.gz UKORURQPCDKQGH-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574470777 949514186 /nfs/dbraw/zinc/51/41/86/949514186.db2.gz UKORURQPCDKQGH-YPMHNXCESA-N -1 1 384.404 -0.586 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574470832 949519178 /nfs/dbraw/zinc/51/91/78/949519178.db2.gz HKCOVDIGNVXZEN-GXSJLCMTSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574470832 949519155 /nfs/dbraw/zinc/51/91/55/949519155.db2.gz HKCOVDIGNVXZEN-GXSJLCMTSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574470834 949518952 /nfs/dbraw/zinc/51/89/52/949518952.db2.gz HKCOVDIGNVXZEN-KOLCDFICSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574470834 949518935 /nfs/dbraw/zinc/51/89/35/949518935.db2.gz HKCOVDIGNVXZEN-KOLCDFICSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574470835 949515687 /nfs/dbraw/zinc/51/56/87/949515687.db2.gz HKCOVDIGNVXZEN-MWLCHTKSSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574470835 949515676 /nfs/dbraw/zinc/51/56/76/949515676.db2.gz HKCOVDIGNVXZEN-MWLCHTKSSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574470836 949519051 /nfs/dbraw/zinc/51/90/51/949519051.db2.gz HKCOVDIGNVXZEN-ONGXEEELSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574470836 949519034 /nfs/dbraw/zinc/51/90/34/949519034.db2.gz HKCOVDIGNVXZEN-ONGXEEELSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574471333 949533306 /nfs/dbraw/zinc/53/33/06/949533306.db2.gz MHQCGYMCOGFKSD-BXKDBHETSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574471333 949533288 /nfs/dbraw/zinc/53/32/88/949533288.db2.gz MHQCGYMCOGFKSD-BXKDBHETSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574471335 949534317 /nfs/dbraw/zinc/53/43/17/949534317.db2.gz MHQCGYMCOGFKSD-CABZTGNLSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574471335 949534298 /nfs/dbraw/zinc/53/42/98/949534298.db2.gz MHQCGYMCOGFKSD-CABZTGNLSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574471337 949533360 /nfs/dbraw/zinc/53/33/60/949533360.db2.gz MHQCGYMCOGFKSD-JOYOIKCWSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574471337 949533349 /nfs/dbraw/zinc/53/33/49/949533349.db2.gz MHQCGYMCOGFKSD-JOYOIKCWSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574471338 949534726 /nfs/dbraw/zinc/53/47/26/949534726.db2.gz MHQCGYMCOGFKSD-SKDRFNHKSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574471338 949534711 /nfs/dbraw/zinc/53/47/11/949534711.db2.gz MHQCGYMCOGFKSD-SKDRFNHKSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574475793 949579582 /nfs/dbraw/zinc/57/95/82/949579582.db2.gz BYJWAVXDJNQPTO-NEPJUHHUSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574475796 949578578 /nfs/dbraw/zinc/57/85/78/949578578.db2.gz BYJWAVXDJNQPTO-NWDGAFQWSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574475798 949578847 /nfs/dbraw/zinc/57/88/47/949578847.db2.gz BYJWAVXDJNQPTO-RYUDHWBXSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574475799 949579168 /nfs/dbraw/zinc/57/91/68/949579168.db2.gz BYJWAVXDJNQPTO-VXGBXAGGSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574475869 949575926 /nfs/dbraw/zinc/57/59/26/949575926.db2.gz CSTQSQGHXAPRSR-JTQLQIEISA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574475869 949575910 /nfs/dbraw/zinc/57/59/10/949575910.db2.gz CSTQSQGHXAPRSR-JTQLQIEISA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574475870 949578396 /nfs/dbraw/zinc/57/83/96/949578396.db2.gz CSTQSQGHXAPRSR-SNVBAGLBSA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574475870 949578377 /nfs/dbraw/zinc/57/83/77/949578377.db2.gz CSTQSQGHXAPRSR-SNVBAGLBSA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@@H](CC(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574475976 949581256 /nfs/dbraw/zinc/58/12/56/949581256.db2.gz DRJBGRJSBNPBBQ-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574475977 949583274 /nfs/dbraw/zinc/58/32/74/949583274.db2.gz DRJBGRJSBNPBBQ-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574476010 949581727 /nfs/dbraw/zinc/58/17/27/949581727.db2.gz FBDNGNGVKXXBPL-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574476010 949581709 /nfs/dbraw/zinc/58/17/09/949581709.db2.gz FBDNGNGVKXXBPL-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574476011 949581926 /nfs/dbraw/zinc/58/19/26/949581926.db2.gz FBDNGNGVKXXBPL-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574476011 949581904 /nfs/dbraw/zinc/58/19/04/949581904.db2.gz FBDNGNGVKXXBPL-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476094 949586476 /nfs/dbraw/zinc/58/64/76/949586476.db2.gz AAMOHKIAAJMTAX-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476094 949586459 /nfs/dbraw/zinc/58/64/59/949586459.db2.gz AAMOHKIAAJMTAX-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C[C@H](C)NC(N)=O ZINC001574476096 949588108 /nfs/dbraw/zinc/58/81/08/949588108.db2.gz AAMOHKIAAJMTAX-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C[C@H](C)NC(N)=O ZINC001574476096 949588088 /nfs/dbraw/zinc/58/80/88/949588088.db2.gz AAMOHKIAAJMTAX-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574476207 949591184 /nfs/dbraw/zinc/59/11/84/949591184.db2.gz BRXCNIODWOAMQC-GARJFASQSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574476207 949591169 /nfs/dbraw/zinc/59/11/69/949591169.db2.gz BRXCNIODWOAMQC-GARJFASQSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574476208 949593381 /nfs/dbraw/zinc/59/33/81/949593381.db2.gz BRXCNIODWOAMQC-MXWKQRLJSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574476208 949593370 /nfs/dbraw/zinc/59/33/70/949593370.db2.gz BRXCNIODWOAMQC-MXWKQRLJSA-N -1 1 386.420 -0.717 20 0 GBADMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476219 949591945 /nfs/dbraw/zinc/59/19/45/949591945.db2.gz BUAXRFOMIBHBMH-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C[C@H](C)NC(N)=O ZINC001574476221 949592067 /nfs/dbraw/zinc/59/20/67/949592067.db2.gz BUAXRFOMIBHBMH-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476329 949596473 /nfs/dbraw/zinc/59/64/73/949596473.db2.gz GPZXAAPOJUDTTK-NEPJUHHUSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574476329 949596452 /nfs/dbraw/zinc/59/64/52/949596452.db2.gz GPZXAAPOJUDTTK-NEPJUHHUSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476330 949596180 /nfs/dbraw/zinc/59/61/80/949596180.db2.gz GPZXAAPOJUDTTK-NWDGAFQWSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574476330 949596165 /nfs/dbraw/zinc/59/61/65/949596165.db2.gz GPZXAAPOJUDTTK-NWDGAFQWSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476332 949597204 /nfs/dbraw/zinc/59/72/04/949597204.db2.gz GPZXAAPOJUDTTK-RYUDHWBXSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574476332 949597190 /nfs/dbraw/zinc/59/71/90/949597190.db2.gz GPZXAAPOJUDTTK-RYUDHWBXSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476333 949598894 /nfs/dbraw/zinc/59/88/94/949598894.db2.gz GPZXAAPOJUDTTK-VXGBXAGGSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574476333 949598879 /nfs/dbraw/zinc/59/88/79/949598879.db2.gz GPZXAAPOJUDTTK-VXGBXAGGSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)NC(N)=O ZINC001574476413 949599588 /nfs/dbraw/zinc/59/95/88/949599588.db2.gz CCSSCXXYSMPCJK-NXEZZACHSA-N -1 1 388.436 -0.826 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)NC(N)=O ZINC001574476414 949596097 /nfs/dbraw/zinc/59/60/97/949596097.db2.gz CCSSCXXYSMPCJK-UWVGGRQHSA-N -1 1 388.436 -0.826 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)NC(N)=O ZINC001574476416 949596021 /nfs/dbraw/zinc/59/60/21/949596021.db2.gz CCSSCXXYSMPCJK-VHSXEESVSA-N -1 1 388.436 -0.826 20 0 GBADMM C[C@H](CC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)NC(N)=O ZINC001574476417 949598748 /nfs/dbraw/zinc/59/87/48/949598748.db2.gz CCSSCXXYSMPCJK-ZJUUUORDSA-N -1 1 388.436 -0.826 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574476446 949601060 /nfs/dbraw/zinc/60/10/60/949601060.db2.gz CTFNCYUORUJFDU-HWPZZCPQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574476446 949601046 /nfs/dbraw/zinc/60/10/46/949601046.db2.gz CTFNCYUORUJFDU-HWPZZCPQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574476447 949602683 /nfs/dbraw/zinc/60/26/83/949602683.db2.gz CTFNCYUORUJFDU-MGPLVRAMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574476447 949602675 /nfs/dbraw/zinc/60/26/75/949602675.db2.gz CTFNCYUORUJFDU-MGPLVRAMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574476449 949601719 /nfs/dbraw/zinc/60/17/19/949601719.db2.gz CTFNCYUORUJFDU-QFYYESIMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574476449 949601705 /nfs/dbraw/zinc/60/17/05/949601705.db2.gz CTFNCYUORUJFDU-QFYYESIMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574476450 949602476 /nfs/dbraw/zinc/60/24/76/949602476.db2.gz CTFNCYUORUJFDU-QLJPJBMISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574476450 949602471 /nfs/dbraw/zinc/60/24/71/949602471.db2.gz CTFNCYUORUJFDU-QLJPJBMISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574476538 949606167 /nfs/dbraw/zinc/60/61/67/949606167.db2.gz DWHSXJBJYPAYRO-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574476538 949606153 /nfs/dbraw/zinc/60/61/53/949606153.db2.gz DWHSXJBJYPAYRO-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574476540 949607419 /nfs/dbraw/zinc/60/74/19/949607419.db2.gz DWHSXJBJYPAYRO-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574476540 949607407 /nfs/dbraw/zinc/60/74/07/949607407.db2.gz DWHSXJBJYPAYRO-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574476561 949607306 /nfs/dbraw/zinc/60/73/06/949607306.db2.gz IANMLLVUYKBTOQ-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574476561 949607296 /nfs/dbraw/zinc/60/72/96/949607296.db2.gz IANMLLVUYKBTOQ-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574476562 949605773 /nfs/dbraw/zinc/60/57/73/949605773.db2.gz IANMLLVUYKBTOQ-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574476562 949605759 /nfs/dbraw/zinc/60/57/59/949605759.db2.gz IANMLLVUYKBTOQ-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476577 949606100 /nfs/dbraw/zinc/60/61/00/949606100.db2.gz IEWKNXFHNRFSCA-NEPJUHHUSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476578 949605706 /nfs/dbraw/zinc/60/57/06/949605706.db2.gz IEWKNXFHNRFSCA-NWDGAFQWSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476579 949606847 /nfs/dbraw/zinc/60/68/47/949606847.db2.gz IEWKNXFHNRFSCA-RYUDHWBXSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476580 949605149 /nfs/dbraw/zinc/60/51/49/949605149.db2.gz IEWKNXFHNRFSCA-VXGBXAGGSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574476625 949611140 /nfs/dbraw/zinc/61/11/40/949611140.db2.gz FJQJJADTRGVAQL-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574476625 949611123 /nfs/dbraw/zinc/61/11/23/949611123.db2.gz FJQJJADTRGVAQL-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574476626 949609380 /nfs/dbraw/zinc/60/93/80/949609380.db2.gz FJQJJADTRGVAQL-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574476626 949609366 /nfs/dbraw/zinc/60/93/66/949609366.db2.gz FJQJJADTRGVAQL-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476647 949611498 /nfs/dbraw/zinc/61/14/98/949611498.db2.gz FRRVTMPHTJAUTP-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476647 949611490 /nfs/dbraw/zinc/61/14/90/949611490.db2.gz FRRVTMPHTJAUTP-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C[C@H](C)NC(N)=O ZINC001574476649 949609421 /nfs/dbraw/zinc/60/94/21/949609421.db2.gz FRRVTMPHTJAUTP-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C[C@H](C)NC(N)=O ZINC001574476649 949609408 /nfs/dbraw/zinc/60/94/08/949609408.db2.gz FRRVTMPHTJAUTP-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574476672 949614706 /nfs/dbraw/zinc/61/47/06/949614706.db2.gz FXFVRVVKISLWDV-GARJFASQSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574476674 949616394 /nfs/dbraw/zinc/61/63/94/949616394.db2.gz FXFVRVVKISLWDV-MXWKQRLJSA-N -1 1 386.420 -0.717 20 0 GBADMM CC(C)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476692 949616218 /nfs/dbraw/zinc/61/62/18/949616218.db2.gz GHRWKVQYPUMHAW-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476692 949616205 /nfs/dbraw/zinc/61/62/05/949616205.db2.gz GHRWKVQYPUMHAW-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)C[C@H](C)NC(N)=O ZINC001574476693 949617094 /nfs/dbraw/zinc/61/70/94/949617094.db2.gz GHRWKVQYPUMHAW-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)C[C@H](C)NC(N)=O ZINC001574476693 949617079 /nfs/dbraw/zinc/61/70/79/949617079.db2.gz GHRWKVQYPUMHAW-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476708 949615561 /nfs/dbraw/zinc/61/55/61/949615561.db2.gz GLSGPTUPABSLSX-HWPZZCPQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476708 949615543 /nfs/dbraw/zinc/61/55/43/949615543.db2.gz GLSGPTUPABSLSX-HWPZZCPQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476710 949614215 /nfs/dbraw/zinc/61/42/15/949614215.db2.gz GLSGPTUPABSLSX-MGPLVRAMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476710 949614208 /nfs/dbraw/zinc/61/42/08/949614208.db2.gz GLSGPTUPABSLSX-MGPLVRAMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476711 949617416 /nfs/dbraw/zinc/61/74/16/949617416.db2.gz GLSGPTUPABSLSX-QFYYESIMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476711 949617401 /nfs/dbraw/zinc/61/74/01/949617401.db2.gz GLSGPTUPABSLSX-QFYYESIMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476712 949615890 /nfs/dbraw/zinc/61/58/90/949615890.db2.gz GLSGPTUPABSLSX-QLJPJBMISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476712 949615877 /nfs/dbraw/zinc/61/58/77/949615877.db2.gz GLSGPTUPABSLSX-QLJPJBMISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476809 949620679 /nfs/dbraw/zinc/62/06/79/949620679.db2.gz HDUBDCCIVRNGMP-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574476809 949620659 /nfs/dbraw/zinc/62/06/59/949620659.db2.gz HDUBDCCIVRNGMP-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574476810 949621328 /nfs/dbraw/zinc/62/13/28/949621328.db2.gz HDUBDCCIVRNGMP-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574476810 949621319 /nfs/dbraw/zinc/62/13/19/949621319.db2.gz HDUBDCCIVRNGMP-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM CC(C)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476811 949621005 /nfs/dbraw/zinc/62/10/05/949621005.db2.gz HETAGOJQJYTUMY-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476811 949620994 /nfs/dbraw/zinc/62/09/94/949620994.db2.gz HETAGOJQJYTUMY-LLVKDONJSA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)C[C@H](C)NC(N)=O ZINC001574476812 949621080 /nfs/dbraw/zinc/62/10/80/949621080.db2.gz HETAGOJQJYTUMY-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM CC(C)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)C[C@H](C)NC(N)=O ZINC001574476812 949621068 /nfs/dbraw/zinc/62/10/68/949621068.db2.gz HETAGOJQJYTUMY-NSHDSACASA-N -1 1 390.452 -0.223 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574476813 949620325 /nfs/dbraw/zinc/62/03/25/949620325.db2.gz HGDGLIZHRNGZQW-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574476813 949620316 /nfs/dbraw/zinc/62/03/16/949620316.db2.gz HGDGLIZHRNGZQW-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574476814 949620478 /nfs/dbraw/zinc/62/04/78/949620478.db2.gz HGDGLIZHRNGZQW-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574476814 949620474 /nfs/dbraw/zinc/62/04/74/949620474.db2.gz HGDGLIZHRNGZQW-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574476853 949624036 /nfs/dbraw/zinc/62/40/36/949624036.db2.gz IEPGXAYUTRIVSP-CYBMUJFWSA-N -1 1 385.432 -0.236 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574476855 949624089 /nfs/dbraw/zinc/62/40/89/949624089.db2.gz IEPGXAYUTRIVSP-ZDUSSCGKSA-N -1 1 385.432 -0.236 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574476947 949630848 /nfs/dbraw/zinc/63/08/48/949630848.db2.gz MJPCRUSUGNFKIZ-BDAKNGLRSA-N -1 1 388.354 -0.102 20 0 GBADMM C[C@@H](CC(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574476948 949630023 /nfs/dbraw/zinc/63/00/23/949630023.db2.gz IUSHQRYBRZYYBH-JTQLQIEISA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574476948 949630008 /nfs/dbraw/zinc/63/00/08/949630008.db2.gz IUSHQRYBRZYYBH-JTQLQIEISA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574476949 949627910 /nfs/dbraw/zinc/62/79/10/949627910.db2.gz MJPCRUSUGNFKIZ-DTWKUNHWSA-N -1 1 388.354 -0.102 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574476950 949629670 /nfs/dbraw/zinc/62/96/70/949629670.db2.gz MJPCRUSUGNFKIZ-IUCAKERBSA-N -1 1 388.354 -0.102 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574476951 949628132 /nfs/dbraw/zinc/62/81/32/949628132.db2.gz MJPCRUSUGNFKIZ-RKDXNWHRSA-N -1 1 388.354 -0.102 20 0 GBADMM C[C@H](CC(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574476952 949630417 /nfs/dbraw/zinc/63/04/17/949630417.db2.gz IUSHQRYBRZYYBH-SNVBAGLBSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574476952 949630403 /nfs/dbraw/zinc/63/04/03/949630403.db2.gz IUSHQRYBRZYYBH-SNVBAGLBSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574477009 949634361 /nfs/dbraw/zinc/63/43/61/949634361.db2.gz MSEBRABTUWSDJT-JTQLQIEISA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574477009 949634345 /nfs/dbraw/zinc/63/43/45/949634345.db2.gz MSEBRABTUWSDJT-JTQLQIEISA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574477010 949634664 /nfs/dbraw/zinc/63/46/64/949634664.db2.gz MSEBRABTUWSDJT-SNVBAGLBSA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574477010 949634652 /nfs/dbraw/zinc/63/46/52/949634652.db2.gz MSEBRABTUWSDJT-SNVBAGLBSA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574477021 949635113 /nfs/dbraw/zinc/63/51/13/949635113.db2.gz NBZGYPIKXPAHPZ-JTQLQIEISA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574477021 949635102 /nfs/dbraw/zinc/63/51/02/949635102.db2.gz NBZGYPIKXPAHPZ-JTQLQIEISA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574477022 949634405 /nfs/dbraw/zinc/63/44/05/949634405.db2.gz NBZGYPIKXPAHPZ-SNVBAGLBSA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574477022 949634392 /nfs/dbraw/zinc/63/43/92/949634392.db2.gz NBZGYPIKXPAHPZ-SNVBAGLBSA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574477033 949634535 /nfs/dbraw/zinc/63/45/35/949634535.db2.gz NIJMBPXLPVPXJT-NEPJUHHUSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574477033 949634523 /nfs/dbraw/zinc/63/45/23/949634523.db2.gz NIJMBPXLPVPXJT-NEPJUHHUSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574477034 949635610 /nfs/dbraw/zinc/63/56/10/949635610.db2.gz NIJMBPXLPVPXJT-NWDGAFQWSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574477034 949635599 /nfs/dbraw/zinc/63/55/99/949635599.db2.gz NIJMBPXLPVPXJT-NWDGAFQWSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574477035 949635404 /nfs/dbraw/zinc/63/54/04/949635404.db2.gz NIJMBPXLPVPXJT-RYUDHWBXSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574477035 949635390 /nfs/dbraw/zinc/63/53/90/949635390.db2.gz NIJMBPXLPVPXJT-RYUDHWBXSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574477036 949634495 /nfs/dbraw/zinc/63/44/95/949634495.db2.gz NIJMBPXLPVPXJT-VXGBXAGGSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574477036 949634480 /nfs/dbraw/zinc/63/44/80/949634480.db2.gz NIJMBPXLPVPXJT-VXGBXAGGSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477088 949640287 /nfs/dbraw/zinc/64/02/87/949640287.db2.gz JNZXIDJXYUYFCQ-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574477088 949640276 /nfs/dbraw/zinc/64/02/76/949640276.db2.gz JNZXIDJXYUYFCQ-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477089 949637478 /nfs/dbraw/zinc/63/74/78/949637478.db2.gz JNZXIDJXYUYFCQ-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574477089 949637464 /nfs/dbraw/zinc/63/74/64/949637464.db2.gz JNZXIDJXYUYFCQ-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574477112 949640237 /nfs/dbraw/zinc/64/02/37/949640237.db2.gz JWZCQGPRTCSHSO-HWPZZCPQSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574477114 949639680 /nfs/dbraw/zinc/63/96/80/949639680.db2.gz JWZCQGPRTCSHSO-MGPLVRAMSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574477115 949638521 /nfs/dbraw/zinc/63/85/21/949638521.db2.gz JWZCQGPRTCSHSO-QFYYESIMSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574477117 949639124 /nfs/dbraw/zinc/63/91/24/949639124.db2.gz JWZCQGPRTCSHSO-QLJPJBMISA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@@H](CC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574477215 949644050 /nfs/dbraw/zinc/64/40/50/949644050.db2.gz LZVKMBKZXNCCKQ-JTQLQIEISA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574477215 949644039 /nfs/dbraw/zinc/64/40/39/949644039.db2.gz LZVKMBKZXNCCKQ-JTQLQIEISA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574477216 949644192 /nfs/dbraw/zinc/64/41/92/949644192.db2.gz LZVKMBKZXNCCKQ-SNVBAGLBSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574477216 949644181 /nfs/dbraw/zinc/64/41/81/949644181.db2.gz LZVKMBKZXNCCKQ-SNVBAGLBSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574477369 949651879 /nfs/dbraw/zinc/65/18/79/949651879.db2.gz NJYXUZPUQFCYSU-HWPZZCPQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574477369 949651869 /nfs/dbraw/zinc/65/18/69/949651869.db2.gz NJYXUZPUQFCYSU-HWPZZCPQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574477370 949653092 /nfs/dbraw/zinc/65/30/92/949653092.db2.gz NJYXUZPUQFCYSU-MGPLVRAMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574477370 949653081 /nfs/dbraw/zinc/65/30/81/949653081.db2.gz NJYXUZPUQFCYSU-MGPLVRAMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574477371 949652386 /nfs/dbraw/zinc/65/23/86/949652386.db2.gz NJYXUZPUQFCYSU-QFYYESIMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574477371 949652368 /nfs/dbraw/zinc/65/23/68/949652368.db2.gz NJYXUZPUQFCYSU-QFYYESIMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574477372 949652033 /nfs/dbraw/zinc/65/20/33/949652033.db2.gz NJYXUZPUQFCYSU-QLJPJBMISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574477372 949652020 /nfs/dbraw/zinc/65/20/20/949652020.db2.gz NJYXUZPUQFCYSU-QLJPJBMISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477377 949653444 /nfs/dbraw/zinc/65/34/44/949653444.db2.gz NLTZHDJJQPWZNS-GFCCVEGCSA-N -1 1 386.420 -0.841 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477378 949651710 /nfs/dbraw/zinc/65/17/10/949651710.db2.gz NLTZHDJJQPWZNS-LBPRGKRZSA-N -1 1 386.420 -0.841 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574477469 949662020 /nfs/dbraw/zinc/66/20/20/949662020.db2.gz OHJUVBMHHHKMSR-HWPZZCPQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574477469 949662005 /nfs/dbraw/zinc/66/20/05/949662005.db2.gz OHJUVBMHHHKMSR-HWPZZCPQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574477471 949662211 /nfs/dbraw/zinc/66/22/11/949662211.db2.gz OHJUVBMHHHKMSR-MGPLVRAMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574477471 949662200 /nfs/dbraw/zinc/66/22/00/949662200.db2.gz OHJUVBMHHHKMSR-MGPLVRAMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574477473 949661874 /nfs/dbraw/zinc/66/18/74/949661874.db2.gz OHJUVBMHHHKMSR-QFYYESIMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574477473 949661853 /nfs/dbraw/zinc/66/18/53/949661853.db2.gz OHJUVBMHHHKMSR-QFYYESIMSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574477475 949662256 /nfs/dbraw/zinc/66/22/56/949662256.db2.gz OHJUVBMHHHKMSR-QLJPJBMISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574477475 949662241 /nfs/dbraw/zinc/66/22/41/949662241.db2.gz OHJUVBMHHHKMSR-QLJPJBMISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)NC(N)=O ZINC001574477490 949660602 /nfs/dbraw/zinc/66/06/02/949660602.db2.gz OIUPTRHALIWCQD-NXEZZACHSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)NC(N)=O ZINC001574477490 949660591 /nfs/dbraw/zinc/66/05/91/949660591.db2.gz OIUPTRHALIWCQD-NXEZZACHSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)NC(N)=O ZINC001574477491 949662820 /nfs/dbraw/zinc/66/28/20/949662820.db2.gz OIUPTRHALIWCQD-UWVGGRQHSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)NC(N)=O ZINC001574477491 949662807 /nfs/dbraw/zinc/66/28/07/949662807.db2.gz OIUPTRHALIWCQD-UWVGGRQHSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)NC(N)=O ZINC001574477492 949661826 /nfs/dbraw/zinc/66/18/26/949661826.db2.gz OIUPTRHALIWCQD-VHSXEESVSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)NC(N)=O ZINC001574477492 949661812 /nfs/dbraw/zinc/66/18/12/949661812.db2.gz OIUPTRHALIWCQD-VHSXEESVSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)NC(N)=O ZINC001574477493 949662406 /nfs/dbraw/zinc/66/24/06/949662406.db2.gz OIUPTRHALIWCQD-ZJUUUORDSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)NC(N)=O ZINC001574477493 949662387 /nfs/dbraw/zinc/66/23/87/949662387.db2.gz OIUPTRHALIWCQD-ZJUUUORDSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574477607 949665819 /nfs/dbraw/zinc/66/58/19/949665819.db2.gz SOCXVFLPNXTEEZ-CHWSQXEVSA-N -1 1 385.432 -0.237 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574477608 949664408 /nfs/dbraw/zinc/66/44/08/949664408.db2.gz SOCXVFLPNXTEEZ-OLZOCXBDSA-N -1 1 385.432 -0.237 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574477609 949667144 /nfs/dbraw/zinc/66/71/44/949667144.db2.gz SOCXVFLPNXTEEZ-QWHCGFSZSA-N -1 1 385.432 -0.237 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574477610 949665315 /nfs/dbraw/zinc/66/53/15/949665315.db2.gz SOCXVFLPNXTEEZ-STQMWFEESA-N -1 1 385.432 -0.237 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477641 949668459 /nfs/dbraw/zinc/66/84/59/949668459.db2.gz SXDGQRXTRDSCGM-NEPJUHHUSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574477641 949668451 /nfs/dbraw/zinc/66/84/51/949668451.db2.gz SXDGQRXTRDSCGM-NEPJUHHUSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477642 949671479 /nfs/dbraw/zinc/67/14/79/949671479.db2.gz SXDGQRXTRDSCGM-NWDGAFQWSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574477642 949671465 /nfs/dbraw/zinc/67/14/65/949671465.db2.gz SXDGQRXTRDSCGM-NWDGAFQWSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477643 949669718 /nfs/dbraw/zinc/66/97/18/949669718.db2.gz SXDGQRXTRDSCGM-RYUDHWBXSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574477643 949669698 /nfs/dbraw/zinc/66/96/98/949669698.db2.gz SXDGQRXTRDSCGM-RYUDHWBXSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477644 949671163 /nfs/dbraw/zinc/67/11/63/949671163.db2.gz SXDGQRXTRDSCGM-VXGBXAGGSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574477644 949671151 /nfs/dbraw/zinc/67/11/51/949671151.db2.gz SXDGQRXTRDSCGM-VXGBXAGGSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001574477683 949670145 /nfs/dbraw/zinc/67/01/45/949670145.db2.gz QHYOVHYEUWAHGF-CHWSQXEVSA-N -1 1 390.448 -0.483 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001574477685 949668731 /nfs/dbraw/zinc/66/87/31/949668731.db2.gz QHYOVHYEUWAHGF-OLZOCXBDSA-N -1 1 390.448 -0.483 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001574477687 949670199 /nfs/dbraw/zinc/67/01/99/949670199.db2.gz QHYOVHYEUWAHGF-QWHCGFSZSA-N -1 1 390.448 -0.483 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001574477689 949669240 /nfs/dbraw/zinc/66/92/40/949669240.db2.gz QHYOVHYEUWAHGF-STQMWFEESA-N -1 1 390.448 -0.483 20 0 GBADMM C[C@@H](CC(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574477785 949680169 /nfs/dbraw/zinc/68/01/69/949680169.db2.gz RQLXDLFUGNBMKQ-JTQLQIEISA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574477785 949680149 /nfs/dbraw/zinc/68/01/49/949680149.db2.gz RQLXDLFUGNBMKQ-JTQLQIEISA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574477786 949678331 /nfs/dbraw/zinc/67/83/31/949678331.db2.gz RQLXDLFUGNBMKQ-SNVBAGLBSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574477786 949678316 /nfs/dbraw/zinc/67/83/16/949678316.db2.gz RQLXDLFUGNBMKQ-SNVBAGLBSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574477846 949677985 /nfs/dbraw/zinc/67/79/85/949677985.db2.gz VKXCZRGLMFVHNT-JTQLQIEISA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574477846 949677976 /nfs/dbraw/zinc/67/79/76/949677976.db2.gz VKXCZRGLMFVHNT-JTQLQIEISA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574477848 949678380 /nfs/dbraw/zinc/67/83/80/949678380.db2.gz VKXCZRGLMFVHNT-SNVBAGLBSA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574477848 949678362 /nfs/dbraw/zinc/67/83/62/949678362.db2.gz VKXCZRGLMFVHNT-SNVBAGLBSA-N -1 1 376.425 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)NC(N)=O ZINC001574477987 949689024 /nfs/dbraw/zinc/68/90/24/949689024.db2.gz UBSSHGMJVMUOAU-GXSJLCMTSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)NC(N)=O ZINC001574477987 949689008 /nfs/dbraw/zinc/68/90/08/949689008.db2.gz UBSSHGMJVMUOAU-GXSJLCMTSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)NC(N)=O ZINC001574477988 949690122 /nfs/dbraw/zinc/69/01/22/949690122.db2.gz UBSSHGMJVMUOAU-KOLCDFICSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)NC(N)=O ZINC001574477988 949690114 /nfs/dbraw/zinc/69/01/14/949690114.db2.gz UBSSHGMJVMUOAU-KOLCDFICSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)NC(N)=O ZINC001574477989 949691045 /nfs/dbraw/zinc/69/10/45/949691045.db2.gz UBSSHGMJVMUOAU-MWLCHTKSSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)NC(N)=O ZINC001574477989 949691028 /nfs/dbraw/zinc/69/10/28/949691028.db2.gz UBSSHGMJVMUOAU-MWLCHTKSSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)NC(N)=O ZINC001574477990 949688398 /nfs/dbraw/zinc/68/83/98/949688398.db2.gz UBSSHGMJVMUOAU-ONGXEEELSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)NC(N)=O ZINC001574477990 949688382 /nfs/dbraw/zinc/68/83/82/949688382.db2.gz UBSSHGMJVMUOAU-ONGXEEELSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574478155 949698248 /nfs/dbraw/zinc/69/82/48/949698248.db2.gz VUXIPLRFABQUQH-GARJFASQSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574478155 949698236 /nfs/dbraw/zinc/69/82/36/949698236.db2.gz VUXIPLRFABQUQH-GARJFASQSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574478159 949697770 /nfs/dbraw/zinc/69/77/70/949697770.db2.gz VUXIPLRFABQUQH-MXWKQRLJSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574478159 949697759 /nfs/dbraw/zinc/69/77/59/949697759.db2.gz VUXIPLRFABQUQH-MXWKQRLJSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574478425 949709215 /nfs/dbraw/zinc/70/92/15/949709215.db2.gz XOMAHUYKTTUSEC-GFCCVEGCSA-N -1 1 386.420 -0.841 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574478428 949708934 /nfs/dbraw/zinc/70/89/34/949708934.db2.gz XOMAHUYKTTUSEC-LBPRGKRZSA-N -1 1 386.420 -0.841 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)NC(N)=O ZINC001574478452 949708432 /nfs/dbraw/zinc/70/84/32/949708432.db2.gz XYMCXWJPKNZREH-GXSJLCMTSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)NC(N)=O ZINC001574478452 949708411 /nfs/dbraw/zinc/70/84/11/949708411.db2.gz XYMCXWJPKNZREH-GXSJLCMTSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)NC(N)=O ZINC001574478455 949707875 /nfs/dbraw/zinc/70/78/75/949707875.db2.gz XYMCXWJPKNZREH-KOLCDFICSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)NC(N)=O ZINC001574478455 949707852 /nfs/dbraw/zinc/70/78/52/949707852.db2.gz XYMCXWJPKNZREH-KOLCDFICSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)NC(N)=O ZINC001574478458 949707172 /nfs/dbraw/zinc/70/71/72/949707172.db2.gz XYMCXWJPKNZREH-MWLCHTKSSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)NC(N)=O ZINC001574478458 949707158 /nfs/dbraw/zinc/70/71/58/949707158.db2.gz XYMCXWJPKNZREH-MWLCHTKSSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)NC(N)=O ZINC001574478461 949706555 /nfs/dbraw/zinc/70/65/55/949706555.db2.gz XYMCXWJPKNZREH-ONGXEEELSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)NC(N)=O ZINC001574478461 949706536 /nfs/dbraw/zinc/70/65/36/949706536.db2.gz XYMCXWJPKNZREH-ONGXEEELSA-N -1 1 388.436 -0.248 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574478494 949711737 /nfs/dbraw/zinc/71/17/37/949711737.db2.gz YJZPEBROBBFYQH-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574478494 949711720 /nfs/dbraw/zinc/71/17/20/949711720.db2.gz YJZPEBROBBFYQH-GFCCVEGCSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574478497 949713969 /nfs/dbraw/zinc/71/39/69/949713969.db2.gz YJZPEBROBBFYQH-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574478497 949713955 /nfs/dbraw/zinc/71/39/55/949713955.db2.gz YJZPEBROBBFYQH-LBPRGKRZSA-N -1 1 386.420 -0.263 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574478518 949711864 /nfs/dbraw/zinc/71/18/64/949711864.db2.gz ZZRUDIHDBWPBHU-NEPJUHHUSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574478518 949711845 /nfs/dbraw/zinc/71/18/45/949711845.db2.gz ZZRUDIHDBWPBHU-NEPJUHHUSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574478520 949715394 /nfs/dbraw/zinc/71/53/94/949715394.db2.gz ZZRUDIHDBWPBHU-NWDGAFQWSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574478520 949715376 /nfs/dbraw/zinc/71/53/76/949715376.db2.gz ZZRUDIHDBWPBHU-NWDGAFQWSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574478521 949712656 /nfs/dbraw/zinc/71/26/56/949712656.db2.gz ZZRUDIHDBWPBHU-RYUDHWBXSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574478521 949712634 /nfs/dbraw/zinc/71/26/34/949712634.db2.gz ZZRUDIHDBWPBHU-RYUDHWBXSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574478523 949713398 /nfs/dbraw/zinc/71/33/98/949713398.db2.gz ZZRUDIHDBWPBHU-VXGBXAGGSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574478523 949713384 /nfs/dbraw/zinc/71/33/84/949713384.db2.gz ZZRUDIHDBWPBHU-VXGBXAGGSA-N -1 1 386.420 -0.264 20 0 GBADMM C[C@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574478532 949711393 /nfs/dbraw/zinc/71/13/93/949711393.db2.gz YTAPMCMFYWRZPE-SECBINFHSA-N -1 1 388.354 -0.100 20 0 GBADMM C[C@@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574478534 949712724 /nfs/dbraw/zinc/71/27/24/949712724.db2.gz YTAPMCMFYWRZPE-VIFPVBQESA-N -1 1 388.354 -0.100 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574478605 949714704 /nfs/dbraw/zinc/71/47/04/949714704.db2.gz ZDFIUCOZJUCBLF-GARJFASQSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574478605 949714688 /nfs/dbraw/zinc/71/46/88/949714688.db2.gz ZDFIUCOZJUCBLF-GARJFASQSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574478606 949714481 /nfs/dbraw/zinc/71/44/81/949714481.db2.gz ZDFIUCOZJUCBLF-MXWKQRLJSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574478606 949714467 /nfs/dbraw/zinc/71/44/67/949714467.db2.gz ZDFIUCOZJUCBLF-MXWKQRLJSA-N -1 1 386.420 -0.717 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574479368 949734167 /nfs/dbraw/zinc/73/41/67/949734167.db2.gz DXDVNIRUYMDVGY-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574479368 949734147 /nfs/dbraw/zinc/73/41/47/949734147.db2.gz DXDVNIRUYMDVGY-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574479369 949733370 /nfs/dbraw/zinc/73/33/70/949733370.db2.gz DXDVNIRUYMDVGY-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574479369 949733353 /nfs/dbraw/zinc/73/33/53/949733353.db2.gz DXDVNIRUYMDVGY-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574479371 949734530 /nfs/dbraw/zinc/73/45/30/949734530.db2.gz DXDVNIRUYMDVGY-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574479371 949734514 /nfs/dbraw/zinc/73/45/14/949734514.db2.gz DXDVNIRUYMDVGY-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574479373 949735216 /nfs/dbraw/zinc/73/52/16/949735216.db2.gz DXDVNIRUYMDVGY-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574479373 949735199 /nfs/dbraw/zinc/73/51/99/949735199.db2.gz DXDVNIRUYMDVGY-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479665 949738366 /nfs/dbraw/zinc/73/83/66/949738366.db2.gz FIYDABGQACNNFO-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479665 949738347 /nfs/dbraw/zinc/73/83/47/949738347.db2.gz FIYDABGQACNNFO-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479666 949738081 /nfs/dbraw/zinc/73/80/81/949738081.db2.gz FIYDABGQACNNFO-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479666 949738062 /nfs/dbraw/zinc/73/80/62/949738062.db2.gz FIYDABGQACNNFO-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479667 949737025 /nfs/dbraw/zinc/73/70/25/949737025.db2.gz FIYDABGQACNNFO-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479667 949737007 /nfs/dbraw/zinc/73/70/07/949737007.db2.gz FIYDABGQACNNFO-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479668 949738912 /nfs/dbraw/zinc/73/89/12/949738912.db2.gz FIYDABGQACNNFO-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479668 949738902 /nfs/dbraw/zinc/73/89/02/949738902.db2.gz FIYDABGQACNNFO-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574479677 949738790 /nfs/dbraw/zinc/73/87/90/949738790.db2.gz FKYPHYUMMQDDSF-GHMZBOCLSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574479677 949738776 /nfs/dbraw/zinc/73/87/76/949738776.db2.gz FKYPHYUMMQDDSF-GHMZBOCLSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574479678 949739136 /nfs/dbraw/zinc/73/91/36/949739136.db2.gz FKYPHYUMMQDDSF-MNOVXSKESA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574479678 949739127 /nfs/dbraw/zinc/73/91/27/949739127.db2.gz FKYPHYUMMQDDSF-MNOVXSKESA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574479679 949738652 /nfs/dbraw/zinc/73/86/52/949738652.db2.gz FKYPHYUMMQDDSF-QWRGUYRKSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574479679 949738639 /nfs/dbraw/zinc/73/86/39/949738639.db2.gz FKYPHYUMMQDDSF-QWRGUYRKSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574479680 949737913 /nfs/dbraw/zinc/73/79/13/949737913.db2.gz FKYPHYUMMQDDSF-WDEREUQCSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574479680 949737897 /nfs/dbraw/zinc/73/78/97/949737897.db2.gz FKYPHYUMMQDDSF-WDEREUQCSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479705 949739704 /nfs/dbraw/zinc/73/97/04/949739704.db2.gz FVRLYQHQQPFROA-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479705 949739693 /nfs/dbraw/zinc/73/96/93/949739693.db2.gz FVRLYQHQQPFROA-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479706 949740573 /nfs/dbraw/zinc/74/05/73/949740573.db2.gz FVRLYQHQQPFROA-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479706 949740557 /nfs/dbraw/zinc/74/05/57/949740557.db2.gz FVRLYQHQQPFROA-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479707 949737786 /nfs/dbraw/zinc/73/77/86/949737786.db2.gz FVRLYQHQQPFROA-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479707 949737761 /nfs/dbraw/zinc/73/77/61/949737761.db2.gz FVRLYQHQQPFROA-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479708 949738307 /nfs/dbraw/zinc/73/83/07/949738307.db2.gz FVRLYQHQQPFROA-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479708 949738288 /nfs/dbraw/zinc/73/82/88/949738288.db2.gz FVRLYQHQQPFROA-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574480223 949746682 /nfs/dbraw/zinc/74/66/82/949746682.db2.gz HNIPGVIQQIXDNM-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574480223 949746671 /nfs/dbraw/zinc/74/66/71/949746671.db2.gz HNIPGVIQQIXDNM-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574480225 949750377 /nfs/dbraw/zinc/75/03/77/949750377.db2.gz HNIPGVIQQIXDNM-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574480225 949750364 /nfs/dbraw/zinc/75/03/64/949750364.db2.gz HNIPGVIQQIXDNM-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574480228 949749403 /nfs/dbraw/zinc/74/94/03/949749403.db2.gz HNIPGVIQQIXDNM-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574480228 949749393 /nfs/dbraw/zinc/74/93/93/949749393.db2.gz HNIPGVIQQIXDNM-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574480231 949749659 /nfs/dbraw/zinc/74/96/59/949749659.db2.gz HNIPGVIQQIXDNM-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574480231 949749648 /nfs/dbraw/zinc/74/96/48/949749648.db2.gz HNIPGVIQQIXDNM-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574480495 949751417 /nfs/dbraw/zinc/75/14/17/949751417.db2.gz JGDABTIJXVOTHX-JTQLQIEISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574480495 949751405 /nfs/dbraw/zinc/75/14/05/949751405.db2.gz JGDABTIJXVOTHX-JTQLQIEISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574480496 949751471 /nfs/dbraw/zinc/75/14/71/949751471.db2.gz JGDABTIJXVOTHX-SNVBAGLBSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574480496 949751453 /nfs/dbraw/zinc/75/14/53/949751453.db2.gz JGDABTIJXVOTHX-SNVBAGLBSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574480919 949757244 /nfs/dbraw/zinc/75/72/44/949757244.db2.gz LLKJQXUMEIPKAB-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574480919 949757236 /nfs/dbraw/zinc/75/72/36/949757236.db2.gz LLKJQXUMEIPKAB-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574480920 949756336 /nfs/dbraw/zinc/75/63/36/949756336.db2.gz LLKJQXUMEIPKAB-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574480920 949756315 /nfs/dbraw/zinc/75/63/15/949756315.db2.gz LLKJQXUMEIPKAB-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574480921 949760122 /nfs/dbraw/zinc/76/01/22/949760122.db2.gz LLKJQXUMEIPKAB-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574480921 949760109 /nfs/dbraw/zinc/76/01/09/949760109.db2.gz LLKJQXUMEIPKAB-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574480922 949760405 /nfs/dbraw/zinc/76/04/05/949760405.db2.gz LLKJQXUMEIPKAB-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574480922 949760399 /nfs/dbraw/zinc/76/03/99/949760399.db2.gz LLKJQXUMEIPKAB-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574481009 949763913 /nfs/dbraw/zinc/76/39/13/949763913.db2.gz MBUALEJHIWWMMP-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574481011 949764019 /nfs/dbraw/zinc/76/40/19/949764019.db2.gz MBUALEJHIWWMMP-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574481220 949770170 /nfs/dbraw/zinc/77/01/70/949770170.db2.gz NKCGRLJWBQIAPM-GHMZBOCLSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574481220 949770152 /nfs/dbraw/zinc/77/01/52/949770152.db2.gz NKCGRLJWBQIAPM-GHMZBOCLSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574481221 949768814 /nfs/dbraw/zinc/76/88/14/949768814.db2.gz NKCGRLJWBQIAPM-MNOVXSKESA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574481221 949768804 /nfs/dbraw/zinc/76/88/04/949768804.db2.gz NKCGRLJWBQIAPM-MNOVXSKESA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574481222 949770589 /nfs/dbraw/zinc/77/05/89/949770589.db2.gz NKCGRLJWBQIAPM-QWRGUYRKSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574481222 949770578 /nfs/dbraw/zinc/77/05/78/949770578.db2.gz NKCGRLJWBQIAPM-QWRGUYRKSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574481223 949767925 /nfs/dbraw/zinc/76/79/25/949767925.db2.gz NKCGRLJWBQIAPM-WDEREUQCSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574481223 949767913 /nfs/dbraw/zinc/76/79/13/949767913.db2.gz NKCGRLJWBQIAPM-WDEREUQCSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574481254 949775690 /nfs/dbraw/zinc/77/56/90/949775690.db2.gz NYSHZVHLMOXRKQ-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574481254 949775670 /nfs/dbraw/zinc/77/56/70/949775670.db2.gz NYSHZVHLMOXRKQ-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574481255 949776066 /nfs/dbraw/zinc/77/60/66/949776066.db2.gz NYSHZVHLMOXRKQ-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574481255 949776050 /nfs/dbraw/zinc/77/60/50/949776050.db2.gz NYSHZVHLMOXRKQ-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481279 949772213 /nfs/dbraw/zinc/77/22/13/949772213.db2.gz OHFBWBDKPULYQK-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481283 949776108 /nfs/dbraw/zinc/77/61/08/949776108.db2.gz OHFBWBDKPULYQK-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481284 949772875 /nfs/dbraw/zinc/77/28/75/949772875.db2.gz OHFBWBDKPULYQK-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481285 949771846 /nfs/dbraw/zinc/77/18/46/949771846.db2.gz OHFBWBDKPULYQK-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481372 949774549 /nfs/dbraw/zinc/77/45/49/949774549.db2.gz OYYMCXVEWFMTDV-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574481372 949774535 /nfs/dbraw/zinc/77/45/35/949774535.db2.gz OYYMCXVEWFMTDV-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481373 949773631 /nfs/dbraw/zinc/77/36/31/949773631.db2.gz OYYMCXVEWFMTDV-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574481373 949773609 /nfs/dbraw/zinc/77/36/09/949773609.db2.gz OYYMCXVEWFMTDV-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481374 949775999 /nfs/dbraw/zinc/77/59/99/949775999.db2.gz OYYMCXVEWFMTDV-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574481374 949775979 /nfs/dbraw/zinc/77/59/79/949775979.db2.gz OYYMCXVEWFMTDV-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481375 949774589 /nfs/dbraw/zinc/77/45/89/949774589.db2.gz OYYMCXVEWFMTDV-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574481375 949774576 /nfs/dbraw/zinc/77/45/76/949774576.db2.gz OYYMCXVEWFMTDV-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574481484 949782004 /nfs/dbraw/zinc/78/20/04/949782004.db2.gz QIBBGYNBFIHGNV-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574481484 949781989 /nfs/dbraw/zinc/78/19/89/949781989.db2.gz QIBBGYNBFIHGNV-JTQLQIEISA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574481485 949785272 /nfs/dbraw/zinc/78/52/72/949785272.db2.gz QIBBGYNBFIHGNV-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574481485 949785257 /nfs/dbraw/zinc/78/52/57/949785257.db2.gz QIBBGYNBFIHGNV-SNVBAGLBSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481654 949791735 /nfs/dbraw/zinc/79/17/35/949791735.db2.gz SVXCXFYHNGIDBC-GHMZBOCLSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481654 949791701 /nfs/dbraw/zinc/79/17/01/949791701.db2.gz SVXCXFYHNGIDBC-GHMZBOCLSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481655 949795032 /nfs/dbraw/zinc/79/50/32/949795032.db2.gz SVXCXFYHNGIDBC-MNOVXSKESA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481655 949795020 /nfs/dbraw/zinc/79/50/20/949795020.db2.gz SVXCXFYHNGIDBC-MNOVXSKESA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481656 949794266 /nfs/dbraw/zinc/79/42/66/949794266.db2.gz SVXCXFYHNGIDBC-QWRGUYRKSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481656 949794247 /nfs/dbraw/zinc/79/42/47/949794247.db2.gz SVXCXFYHNGIDBC-QWRGUYRKSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481657 949795505 /nfs/dbraw/zinc/79/55/05/949795505.db2.gz SVXCXFYHNGIDBC-WDEREUQCSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481657 949795486 /nfs/dbraw/zinc/79/54/86/949795486.db2.gz SVXCXFYHNGIDBC-WDEREUQCSA-N -1 1 388.436 -0.612 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481802 949801309 /nfs/dbraw/zinc/80/13/09/949801309.db2.gz VQUDDIZUJRKMIF-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481802 949801285 /nfs/dbraw/zinc/80/12/85/949801285.db2.gz VQUDDIZUJRKMIF-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481803 949806172 /nfs/dbraw/zinc/80/61/72/949806172.db2.gz VQUDDIZUJRKMIF-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481803 949806151 /nfs/dbraw/zinc/80/61/51/949806151.db2.gz VQUDDIZUJRKMIF-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481804 949806365 /nfs/dbraw/zinc/80/63/65/949806365.db2.gz VQUDDIZUJRKMIF-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481804 949806343 /nfs/dbraw/zinc/80/63/43/949806343.db2.gz VQUDDIZUJRKMIF-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481805 949802889 /nfs/dbraw/zinc/80/28/89/949802889.db2.gz VQUDDIZUJRKMIF-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481805 949802875 /nfs/dbraw/zinc/80/28/75/949802875.db2.gz VQUDDIZUJRKMIF-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574481984 949816287 /nfs/dbraw/zinc/81/62/87/949816287.db2.gz YJFWJQKEFZHAGU-JTQLQIEISA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@H](CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574481985 949815435 /nfs/dbraw/zinc/81/54/35/949815435.db2.gz YJFWJQKEFZHAGU-SNVBAGLBSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481994 949816094 /nfs/dbraw/zinc/81/60/94/949816094.db2.gz YMHNSLVHPSXOCJ-GHMZBOCLSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481995 949813356 /nfs/dbraw/zinc/81/33/56/949813356.db2.gz YMHNSLVHPSXOCJ-MNOVXSKESA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481996 949815756 /nfs/dbraw/zinc/81/57/56/949815756.db2.gz YMHNSLVHPSXOCJ-QWRGUYRKSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574481997 949816150 /nfs/dbraw/zinc/81/61/50/949816150.db2.gz YMHNSLVHPSXOCJ-WDEREUQCSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@@H](CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574482066 949818300 /nfs/dbraw/zinc/81/83/00/949818300.db2.gz ZYKIYVWWRSJSIC-JTQLQIEISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574482066 949818278 /nfs/dbraw/zinc/81/82/78/949818278.db2.gz ZYKIYVWWRSJSIC-JTQLQIEISA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574482067 949823102 /nfs/dbraw/zinc/82/31/02/949823102.db2.gz ZYKIYVWWRSJSIC-SNVBAGLBSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574482067 949823083 /nfs/dbraw/zinc/82/30/83/949823083.db2.gz ZYKIYVWWRSJSIC-SNVBAGLBSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)NC(N)=O ZINC001574483659 949831703 /nfs/dbraw/zinc/83/17/03/949831703.db2.gz HRRVIKQWQLRKBA-JBLDHEPKSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)NC(N)=O ZINC001574483659 949831681 /nfs/dbraw/zinc/83/16/81/949831681.db2.gz HRRVIKQWQLRKBA-JBLDHEPKSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)NC(N)=O ZINC001574483660 949831507 /nfs/dbraw/zinc/83/15/07/949831507.db2.gz HRRVIKQWQLRKBA-JFGNBEQYSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)NC(N)=O ZINC001574483660 949831486 /nfs/dbraw/zinc/83/14/86/949831486.db2.gz HRRVIKQWQLRKBA-JFGNBEQYSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574483955 949846408 /nfs/dbraw/zinc/84/64/08/949846408.db2.gz ANRQIHYOIZBETK-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574483955 949846384 /nfs/dbraw/zinc/84/63/84/949846384.db2.gz ANRQIHYOIZBETK-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574483956 949849283 /nfs/dbraw/zinc/84/92/83/949849283.db2.gz ANRQIHYOIZBETK-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574483956 949849260 /nfs/dbraw/zinc/84/92/60/949849260.db2.gz ANRQIHYOIZBETK-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574483957 949851099 /nfs/dbraw/zinc/85/10/99/949851099.db2.gz ANRQIHYOIZBETK-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574483957 949851070 /nfs/dbraw/zinc/85/10/70/949851070.db2.gz ANRQIHYOIZBETK-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574483958 949847003 /nfs/dbraw/zinc/84/70/03/949847003.db2.gz ANRQIHYOIZBETK-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574483958 949846975 /nfs/dbraw/zinc/84/69/75/949846975.db2.gz ANRQIHYOIZBETK-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484181 949866067 /nfs/dbraw/zinc/86/60/67/949866067.db2.gz DXASEIABMIBBSZ-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574484181 949866055 /nfs/dbraw/zinc/86/60/55/949866055.db2.gz DXASEIABMIBBSZ-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484182 949866200 /nfs/dbraw/zinc/86/62/00/949866200.db2.gz DXASEIABMIBBSZ-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574484182 949866184 /nfs/dbraw/zinc/86/61/84/949866184.db2.gz DXASEIABMIBBSZ-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484183 949864095 /nfs/dbraw/zinc/86/40/95/949864095.db2.gz DXASEIABMIBBSZ-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574484183 949864075 /nfs/dbraw/zinc/86/40/75/949864075.db2.gz DXASEIABMIBBSZ-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484184 949865418 /nfs/dbraw/zinc/86/54/18/949865418.db2.gz DXASEIABMIBBSZ-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574484184 949865403 /nfs/dbraw/zinc/86/54/03/949865403.db2.gz DXASEIABMIBBSZ-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484437 949876772 /nfs/dbraw/zinc/87/67/72/949876772.db2.gz GOINNRBQCDCHCT-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484437 949876748 /nfs/dbraw/zinc/87/67/48/949876748.db2.gz GOINNRBQCDCHCT-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484438 949875114 /nfs/dbraw/zinc/87/51/14/949875114.db2.gz GOINNRBQCDCHCT-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484438 949875088 /nfs/dbraw/zinc/87/50/88/949875088.db2.gz GOINNRBQCDCHCT-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484439 949874807 /nfs/dbraw/zinc/87/48/07/949874807.db2.gz GOINNRBQCDCHCT-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484439 949874785 /nfs/dbraw/zinc/87/47/85/949874785.db2.gz GOINNRBQCDCHCT-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484440 949878169 /nfs/dbraw/zinc/87/81/69/949878169.db2.gz GOINNRBQCDCHCT-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484440 949878149 /nfs/dbraw/zinc/87/81/49/949878149.db2.gz GOINNRBQCDCHCT-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574484527 949883785 /nfs/dbraw/zinc/88/37/85/949883785.db2.gz JGAYAMAHLOEHOY-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574484527 949883760 /nfs/dbraw/zinc/88/37/60/949883760.db2.gz JGAYAMAHLOEHOY-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574484528 949883205 /nfs/dbraw/zinc/88/32/05/949883205.db2.gz JGAYAMAHLOEHOY-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574484528 949883175 /nfs/dbraw/zinc/88/31/75/949883175.db2.gz JGAYAMAHLOEHOY-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574484529 949882131 /nfs/dbraw/zinc/88/21/31/949882131.db2.gz JGAYAMAHLOEHOY-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574484529 949882115 /nfs/dbraw/zinc/88/21/15/949882115.db2.gz JGAYAMAHLOEHOY-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574484530 949880320 /nfs/dbraw/zinc/88/03/20/949880320.db2.gz JGAYAMAHLOEHOY-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574484530 949880302 /nfs/dbraw/zinc/88/03/02/949880302.db2.gz JGAYAMAHLOEHOY-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574484629 949895672 /nfs/dbraw/zinc/89/56/72/949895672.db2.gz KZONUXPBYNCWGO-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574484629 949895652 /nfs/dbraw/zinc/89/56/52/949895652.db2.gz KZONUXPBYNCWGO-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574484630 949895905 /nfs/dbraw/zinc/89/59/05/949895905.db2.gz KZONUXPBYNCWGO-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574484630 949895886 /nfs/dbraw/zinc/89/58/86/949895886.db2.gz KZONUXPBYNCWGO-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574484631 949893314 /nfs/dbraw/zinc/89/33/14/949893314.db2.gz KZONUXPBYNCWGO-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574484631 949893288 /nfs/dbraw/zinc/89/32/88/949893288.db2.gz KZONUXPBYNCWGO-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574484632 949894369 /nfs/dbraw/zinc/89/43/69/949894369.db2.gz KZONUXPBYNCWGO-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574484632 949894345 /nfs/dbraw/zinc/89/43/45/949894345.db2.gz KZONUXPBYNCWGO-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484667 949891645 /nfs/dbraw/zinc/89/16/45/949891645.db2.gz LRJFDDOTLCZJCE-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484667 949891631 /nfs/dbraw/zinc/89/16/31/949891631.db2.gz LRJFDDOTLCZJCE-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484668 949894888 /nfs/dbraw/zinc/89/48/88/949894888.db2.gz LRJFDDOTLCZJCE-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484668 949894866 /nfs/dbraw/zinc/89/48/66/949894866.db2.gz LRJFDDOTLCZJCE-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484669 949894720 /nfs/dbraw/zinc/89/47/20/949894720.db2.gz LRJFDDOTLCZJCE-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484669 949894702 /nfs/dbraw/zinc/89/47/02/949894702.db2.gz LRJFDDOTLCZJCE-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484670 949891355 /nfs/dbraw/zinc/89/13/55/949891355.db2.gz LRJFDDOTLCZJCE-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484670 949891329 /nfs/dbraw/zinc/89/13/29/949891329.db2.gz LRJFDDOTLCZJCE-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484799 949902806 /nfs/dbraw/zinc/90/28/06/949902806.db2.gz OQABBWGUTHZYFS-GHMZBOCLSA-N -1 1 388.436 -0.682 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484800 949906803 /nfs/dbraw/zinc/90/68/03/949906803.db2.gz OQABBWGUTHZYFS-MNOVXSKESA-N -1 1 388.436 -0.682 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484801 949902686 /nfs/dbraw/zinc/90/26/86/949902686.db2.gz OQABBWGUTHZYFS-QWRGUYRKSA-N -1 1 388.436 -0.682 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484802 949904520 /nfs/dbraw/zinc/90/45/20/949904520.db2.gz OQABBWGUTHZYFS-WDEREUQCSA-N -1 1 388.436 -0.682 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484813 949906767 /nfs/dbraw/zinc/90/67/67/949906767.db2.gz PAKRRNGYTKBHAK-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484813 949906751 /nfs/dbraw/zinc/90/67/51/949906751.db2.gz PAKRRNGYTKBHAK-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484814 949903069 /nfs/dbraw/zinc/90/30/69/949903069.db2.gz PAKRRNGYTKBHAK-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484814 949903054 /nfs/dbraw/zinc/90/30/54/949903054.db2.gz PAKRRNGYTKBHAK-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484815 949902579 /nfs/dbraw/zinc/90/25/79/949902579.db2.gz PAKRRNGYTKBHAK-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484815 949902563 /nfs/dbraw/zinc/90/25/63/949902563.db2.gz PAKRRNGYTKBHAK-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484816 949905133 /nfs/dbraw/zinc/90/51/33/949905133.db2.gz PAKRRNGYTKBHAK-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484816 949905108 /nfs/dbraw/zinc/90/51/08/949905108.db2.gz PAKRRNGYTKBHAK-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574484823 949904599 /nfs/dbraw/zinc/90/45/99/949904599.db2.gz PEBIRSZZJUFFBP-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574484823 949904575 /nfs/dbraw/zinc/90/45/75/949904575.db2.gz PEBIRSZZJUFFBP-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574484824 949903958 /nfs/dbraw/zinc/90/39/58/949903958.db2.gz PEBIRSZZJUFFBP-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574484824 949903941 /nfs/dbraw/zinc/90/39/41/949903941.db2.gz PEBIRSZZJUFFBP-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574484825 949902516 /nfs/dbraw/zinc/90/25/16/949902516.db2.gz PEBIRSZZJUFFBP-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574484825 949902502 /nfs/dbraw/zinc/90/25/02/949902502.db2.gz PEBIRSZZJUFFBP-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574484826 949902268 /nfs/dbraw/zinc/90/22/68/949902268.db2.gz PEBIRSZZJUFFBP-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574484826 949902231 /nfs/dbraw/zinc/90/22/31/949902231.db2.gz PEBIRSZZJUFFBP-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484969 949914689 /nfs/dbraw/zinc/91/46/89/949914689.db2.gz SPKNOAHUBVJRQZ-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574484969 949914666 /nfs/dbraw/zinc/91/46/66/949914666.db2.gz SPKNOAHUBVJRQZ-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484970 949916966 /nfs/dbraw/zinc/91/69/66/949916966.db2.gz SPKNOAHUBVJRQZ-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574484970 949916932 /nfs/dbraw/zinc/91/69/32/949916932.db2.gz SPKNOAHUBVJRQZ-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484971 949914450 /nfs/dbraw/zinc/91/44/50/949914450.db2.gz SPKNOAHUBVJRQZ-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574484971 949914437 /nfs/dbraw/zinc/91/44/37/949914437.db2.gz SPKNOAHUBVJRQZ-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574484972 949915162 /nfs/dbraw/zinc/91/51/62/949915162.db2.gz SPKNOAHUBVJRQZ-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574484972 949915148 /nfs/dbraw/zinc/91/51/48/949915148.db2.gz SPKNOAHUBVJRQZ-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574485237 949918289 /nfs/dbraw/zinc/91/82/89/949918289.db2.gz VRBFBAMWACBMAL-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574485237 949918269 /nfs/dbraw/zinc/91/82/69/949918269.db2.gz VRBFBAMWACBMAL-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574485238 949919657 /nfs/dbraw/zinc/91/96/57/949919657.db2.gz VRBFBAMWACBMAL-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574485238 949919639 /nfs/dbraw/zinc/91/96/39/949919639.db2.gz VRBFBAMWACBMAL-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574485239 949920184 /nfs/dbraw/zinc/92/01/84/949920184.db2.gz VRBFBAMWACBMAL-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574485239 949920163 /nfs/dbraw/zinc/92/01/63/949920163.db2.gz VRBFBAMWACBMAL-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574485241 949921385 /nfs/dbraw/zinc/92/13/85/949921385.db2.gz VRBFBAMWACBMAL-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574485241 949921366 /nfs/dbraw/zinc/92/13/66/949921366.db2.gz VRBFBAMWACBMAL-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574485253 949922444 /nfs/dbraw/zinc/92/24/44/949922444.db2.gz VUYWESJDCFVWJW-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574485253 949922424 /nfs/dbraw/zinc/92/24/24/949922424.db2.gz VUYWESJDCFVWJW-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574485255 949921980 /nfs/dbraw/zinc/92/19/80/949921980.db2.gz VUYWESJDCFVWJW-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574485255 949921958 /nfs/dbraw/zinc/92/19/58/949921958.db2.gz VUYWESJDCFVWJW-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574485256 949918592 /nfs/dbraw/zinc/91/85/92/949918592.db2.gz VUYWESJDCFVWJW-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574485256 949918573 /nfs/dbraw/zinc/91/85/73/949918573.db2.gz VUYWESJDCFVWJW-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574485257 949921916 /nfs/dbraw/zinc/92/19/16/949921916.db2.gz VUYWESJDCFVWJW-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574485257 949921896 /nfs/dbraw/zinc/92/18/96/949921896.db2.gz VUYWESJDCFVWJW-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574485709 949929275 /nfs/dbraw/zinc/92/92/75/949929275.db2.gz ZLDPHRXANVWBDD-GHMZBOCLSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574485710 949932611 /nfs/dbraw/zinc/93/26/11/949932611.db2.gz ZLDPHRXANVWBDD-MNOVXSKESA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574485711 949932517 /nfs/dbraw/zinc/93/25/17/949932517.db2.gz ZLDPHRXANVWBDD-QWRGUYRKSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574485712 949930896 /nfs/dbraw/zinc/93/08/96/949930896.db2.gz ZLDPHRXANVWBDD-WDEREUQCSA-N -1 1 388.436 -0.469 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)NC(N)=O ZINC001574488377 949945521 /nfs/dbraw/zinc/94/55/21/949945521.db2.gz DUSRWBRAKJKBTO-JBLDHEPKSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)NC(N)=O ZINC001574488377 949945503 /nfs/dbraw/zinc/94/55/03/949945503.db2.gz DUSRWBRAKJKBTO-JBLDHEPKSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)NC(N)=O ZINC001574488378 949949492 /nfs/dbraw/zinc/94/94/92/949949492.db2.gz DUSRWBRAKJKBTO-JFGNBEQYSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)NC(N)=O ZINC001574488378 949949475 /nfs/dbraw/zinc/94/94/75/949949475.db2.gz DUSRWBRAKJKBTO-JFGNBEQYSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)NC(N)=O ZINC001574488941 949957667 /nfs/dbraw/zinc/95/76/67/949957667.db2.gz HJIFJVIIBZTYTE-GMTAPVOTSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)NC(N)=O ZINC001574488941 949957650 /nfs/dbraw/zinc/95/76/50/949957650.db2.gz HJIFJVIIBZTYTE-GMTAPVOTSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)NC(N)=O ZINC001574488942 949957967 /nfs/dbraw/zinc/95/79/67/949957967.db2.gz HJIFJVIIBZTYTE-OUAUKWLOSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)NC(N)=O ZINC001574488942 949957948 /nfs/dbraw/zinc/95/79/48/949957948.db2.gz HJIFJVIIBZTYTE-OUAUKWLOSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574489346 949962729 /nfs/dbraw/zinc/96/27/29/949962729.db2.gz IVVQIQMKYLGHOT-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574489346 949962704 /nfs/dbraw/zinc/96/27/04/949962704.db2.gz IVVQIQMKYLGHOT-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574489347 949961871 /nfs/dbraw/zinc/96/18/71/949961871.db2.gz IVVQIQMKYLGHOT-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574489347 949961853 /nfs/dbraw/zinc/96/18/53/949961853.db2.gz IVVQIQMKYLGHOT-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)NC(N)=O ZINC001574489390 949963397 /nfs/dbraw/zinc/96/33/97/949963397.db2.gz JOHLXYOFNAYIRK-JBLDHEPKSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)NC(N)=O ZINC001574489390 949963381 /nfs/dbraw/zinc/96/33/81/949963381.db2.gz JOHLXYOFNAYIRK-JBLDHEPKSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)NC(N)=O ZINC001574489391 949964099 /nfs/dbraw/zinc/96/40/99/949964099.db2.gz JOHLXYOFNAYIRK-JFGNBEQYSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)NC(N)=O ZINC001574489391 949964076 /nfs/dbraw/zinc/96/40/76/949964076.db2.gz JOHLXYOFNAYIRK-JFGNBEQYSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)NC(N)=O ZINC001574489656 949971576 /nfs/dbraw/zinc/97/15/76/949971576.db2.gz KGULBKNLGBYUJA-GMTAPVOTSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)NC(N)=O ZINC001574489656 949971562 /nfs/dbraw/zinc/97/15/62/949971562.db2.gz KGULBKNLGBYUJA-GMTAPVOTSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)NC(N)=O ZINC001574489657 949966911 /nfs/dbraw/zinc/96/69/11/949966911.db2.gz KGULBKNLGBYUJA-OUAUKWLOSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)NC(N)=O ZINC001574489657 949966898 /nfs/dbraw/zinc/96/68/98/949966898.db2.gz KGULBKNLGBYUJA-OUAUKWLOSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)NC(N)=O ZINC001574489688 949970493 /nfs/dbraw/zinc/97/04/93/949970493.db2.gz KVLLIKVVDCLHNU-GMTAPVOTSA-N -1 1 388.436 -0.968 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)NC(N)=O ZINC001574489689 949968297 /nfs/dbraw/zinc/96/82/97/949968297.db2.gz KVLLIKVVDCLHNU-OUAUKWLOSA-N -1 1 388.436 -0.968 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)NC(N)=O ZINC001574490561 950004104 /nfs/dbraw/zinc/00/41/04/950004104.db2.gz VBSNKDCHCNLLFK-GMTAPVOTSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)NC(N)=O ZINC001574490561 950004091 /nfs/dbraw/zinc/00/40/91/950004091.db2.gz VBSNKDCHCNLLFK-GMTAPVOTSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)NC(N)=O ZINC001574490562 950002792 /nfs/dbraw/zinc/00/27/92/950002792.db2.gz VBSNKDCHCNLLFK-OUAUKWLOSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)NC(N)=O ZINC001574490562 950002770 /nfs/dbraw/zinc/00/27/70/950002770.db2.gz VBSNKDCHCNLLFK-OUAUKWLOSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)NC(N)=O ZINC001574490597 950009679 /nfs/dbraw/zinc/00/96/79/950009679.db2.gz VYCCOEFBNLMASV-GMTAPVOTSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@H](CC(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)NC(N)=O ZINC001574490597 950009659 /nfs/dbraw/zinc/00/96/59/950009659.db2.gz VYCCOEFBNLMASV-GMTAPVOTSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)NC(N)=O ZINC001574490598 950008714 /nfs/dbraw/zinc/00/87/14/950008714.db2.gz VYCCOEFBNLMASV-OUAUKWLOSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)NC(N)=O ZINC001574490598 950008694 /nfs/dbraw/zinc/00/86/94/950008694.db2.gz VYCCOEFBNLMASV-OUAUKWLOSA-N -1 1 388.436 -0.390 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574490815 950022625 /nfs/dbraw/zinc/02/26/25/950022625.db2.gz ZPXODHPNMHNMMI-GARJFASQSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574490815 950022605 /nfs/dbraw/zinc/02/26/05/950022605.db2.gz ZPXODHPNMHNMMI-GARJFASQSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574490816 950022366 /nfs/dbraw/zinc/02/23/66/950022366.db2.gz ZPXODHPNMHNMMI-OUAUKWLOSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574490816 950022349 /nfs/dbraw/zinc/02/23/49/950022349.db2.gz ZPXODHPNMHNMMI-OUAUKWLOSA-N -1 1 386.420 -0.859 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574491561 950040587 /nfs/dbraw/zinc/04/05/87/950040587.db2.gz DHRUXXCBORNSMH-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574491561 950040571 /nfs/dbraw/zinc/04/05/71/950040571.db2.gz DHRUXXCBORNSMH-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574491562 950039155 /nfs/dbraw/zinc/03/91/55/950039155.db2.gz DHRUXXCBORNSMH-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574491562 950039135 /nfs/dbraw/zinc/03/91/35/950039135.db2.gz DHRUXXCBORNSMH-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574491563 950038338 /nfs/dbraw/zinc/03/83/38/950038338.db2.gz DHRUXXCBORNSMH-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574491563 950038321 /nfs/dbraw/zinc/03/83/21/950038321.db2.gz DHRUXXCBORNSMH-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574491564 950040264 /nfs/dbraw/zinc/04/02/64/950040264.db2.gz DHRUXXCBORNSMH-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574491564 950040239 /nfs/dbraw/zinc/04/02/39/950040239.db2.gz DHRUXXCBORNSMH-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574491972 950053354 /nfs/dbraw/zinc/05/33/54/950053354.db2.gz HWLOQQPAGSAVIF-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574491972 950053330 /nfs/dbraw/zinc/05/33/30/950053330.db2.gz HWLOQQPAGSAVIF-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574491973 950049252 /nfs/dbraw/zinc/04/92/52/950049252.db2.gz HWLOQQPAGSAVIF-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574491973 950049231 /nfs/dbraw/zinc/04/92/31/950049231.db2.gz HWLOQQPAGSAVIF-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574491996 950058717 /nfs/dbraw/zinc/05/87/17/950058717.db2.gz IAKVIAPVUKPJSF-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574491997 950057029 /nfs/dbraw/zinc/05/70/29/950057029.db2.gz IAKVIAPVUKPJSF-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574491998 950055565 /nfs/dbraw/zinc/05/55/65/950055565.db2.gz IARHGCGYKDRWQX-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574491998 950055543 /nfs/dbraw/zinc/05/55/43/950055543.db2.gz IARHGCGYKDRWQX-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574491999 950057723 /nfs/dbraw/zinc/05/77/23/950057723.db2.gz IARHGCGYKDRWQX-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574491999 950057698 /nfs/dbraw/zinc/05/76/98/950057698.db2.gz IARHGCGYKDRWQX-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574492000 950054824 /nfs/dbraw/zinc/05/48/24/950054824.db2.gz IARHGCGYKDRWQX-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574492000 950054801 /nfs/dbraw/zinc/05/48/01/950054801.db2.gz IARHGCGYKDRWQX-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574492001 950054491 /nfs/dbraw/zinc/05/44/91/950054491.db2.gz IARHGCGYKDRWQX-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574492001 950054467 /nfs/dbraw/zinc/05/44/67/950054467.db2.gz IARHGCGYKDRWQX-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574492716 950105094 /nfs/dbraw/zinc/10/50/94/950105094.db2.gz PARWZHDQBBAUGV-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574492716 950105079 /nfs/dbraw/zinc/10/50/79/950105079.db2.gz PARWZHDQBBAUGV-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574492717 950103297 /nfs/dbraw/zinc/10/32/97/950103297.db2.gz PARWZHDQBBAUGV-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574492717 950103285 /nfs/dbraw/zinc/10/32/85/950103285.db2.gz PARWZHDQBBAUGV-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574492718 950102299 /nfs/dbraw/zinc/10/22/99/950102299.db2.gz PARWZHDQBBAUGV-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574492718 950102279 /nfs/dbraw/zinc/10/22/79/950102279.db2.gz PARWZHDQBBAUGV-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574492719 950103019 /nfs/dbraw/zinc/10/30/19/950103019.db2.gz PARWZHDQBBAUGV-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574492719 950103006 /nfs/dbraw/zinc/10/30/06/950103006.db2.gz PARWZHDQBBAUGV-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574493059 950112046 /nfs/dbraw/zinc/11/20/46/950112046.db2.gz REBAQKSYLRHVFU-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574493059 950112034 /nfs/dbraw/zinc/11/20/34/950112034.db2.gz REBAQKSYLRHVFU-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574493061 950114013 /nfs/dbraw/zinc/11/40/13/950114013.db2.gz REBAQKSYLRHVFU-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574493061 950114000 /nfs/dbraw/zinc/11/40/00/950114000.db2.gz REBAQKSYLRHVFU-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574493237 950123612 /nfs/dbraw/zinc/12/36/12/950123612.db2.gz REBAQKSYLRHVFU-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574493237 950123598 /nfs/dbraw/zinc/12/35/98/950123598.db2.gz REBAQKSYLRHVFU-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574493238 950122978 /nfs/dbraw/zinc/12/29/78/950122978.db2.gz REBAQKSYLRHVFU-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574493238 950122959 /nfs/dbraw/zinc/12/29/59/950122959.db2.gz REBAQKSYLRHVFU-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574493299 950123983 /nfs/dbraw/zinc/12/39/83/950123983.db2.gz SBIVQSQNFQNPCZ-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574493299 950123974 /nfs/dbraw/zinc/12/39/74/950123974.db2.gz SBIVQSQNFQNPCZ-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574493300 950124503 /nfs/dbraw/zinc/12/45/03/950124503.db2.gz SBIVQSQNFQNPCZ-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574493300 950124491 /nfs/dbraw/zinc/12/44/91/950124491.db2.gz SBIVQSQNFQNPCZ-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574493317 950128260 /nfs/dbraw/zinc/12/82/60/950128260.db2.gz SFAVSEUTMYKZMD-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574493318 950126724 /nfs/dbraw/zinc/12/67/24/950126724.db2.gz SFAVSEUTMYKZMD-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574493319 950127942 /nfs/dbraw/zinc/12/79/42/950127942.db2.gz SFAVSEUTMYKZMD-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574493320 950128096 /nfs/dbraw/zinc/12/80/96/950128096.db2.gz SFAVSEUTMYKZMD-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)NC(N)=O ZINC001574493402 950128487 /nfs/dbraw/zinc/12/84/87/950128487.db2.gz GINSTJGVGTXWDE-NXEZZACHSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)NC(N)=O ZINC001574493402 950128472 /nfs/dbraw/zinc/12/84/72/950128472.db2.gz GINSTJGVGTXWDE-NXEZZACHSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)NC(N)=O ZINC001574493403 950126092 /nfs/dbraw/zinc/12/60/92/950126092.db2.gz GINSTJGVGTXWDE-UWVGGRQHSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)NC(N)=O ZINC001574493403 950126073 /nfs/dbraw/zinc/12/60/73/950126073.db2.gz GINSTJGVGTXWDE-UWVGGRQHSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)NC(N)=O ZINC001574493404 950126259 /nfs/dbraw/zinc/12/62/59/950126259.db2.gz GINSTJGVGTXWDE-VHSXEESVSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)NC(N)=O ZINC001574493404 950126249 /nfs/dbraw/zinc/12/62/49/950126249.db2.gz GINSTJGVGTXWDE-VHSXEESVSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)NC(N)=O ZINC001574493405 950133060 /nfs/dbraw/zinc/13/30/60/950133060.db2.gz GINSTJGVGTXWDE-ZJUUUORDSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)NC(N)=O ZINC001574493405 950133047 /nfs/dbraw/zinc/13/30/47/950133047.db2.gz GINSTJGVGTXWDE-ZJUUUORDSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574494445 950164698 /nfs/dbraw/zinc/16/46/98/950164698.db2.gz YTVCOBUPIZIYQN-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574494445 950164681 /nfs/dbraw/zinc/16/46/81/950164681.db2.gz YTVCOBUPIZIYQN-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574494446 950164626 /nfs/dbraw/zinc/16/46/26/950164626.db2.gz YTVCOBUPIZIYQN-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574494446 950164613 /nfs/dbraw/zinc/16/46/13/950164613.db2.gz YTVCOBUPIZIYQN-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)NC(N)=O ZINC001574494653 950175786 /nfs/dbraw/zinc/17/57/86/950175786.db2.gz MHBHANOKLDZPKI-GXSJLCMTSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)NC(N)=O ZINC001574494653 950175777 /nfs/dbraw/zinc/17/57/77/950175777.db2.gz MHBHANOKLDZPKI-GXSJLCMTSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)NC(N)=O ZINC001574494654 950173226 /nfs/dbraw/zinc/17/32/26/950173226.db2.gz MHBHANOKLDZPKI-KOLCDFICSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)NC(N)=O ZINC001574494654 950173216 /nfs/dbraw/zinc/17/32/16/950173216.db2.gz MHBHANOKLDZPKI-KOLCDFICSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)NC(N)=O ZINC001574494655 950173536 /nfs/dbraw/zinc/17/35/36/950173536.db2.gz MHBHANOKLDZPKI-MWLCHTKSSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)NC(N)=O ZINC001574494655 950173525 /nfs/dbraw/zinc/17/35/25/950173525.db2.gz MHBHANOKLDZPKI-MWLCHTKSSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)NC(N)=O ZINC001574494656 950173754 /nfs/dbraw/zinc/17/37/54/950173754.db2.gz MHBHANOKLDZPKI-ONGXEEELSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)NC(N)=O ZINC001574494656 950173746 /nfs/dbraw/zinc/17/37/46/950173746.db2.gz MHBHANOKLDZPKI-ONGXEEELSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)NC(N)=O ZINC001574494723 950180275 /nfs/dbraw/zinc/18/02/75/950180275.db2.gz NIEFNLJZNSMGQF-NXEZZACHSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)NC(N)=O ZINC001574494724 950179960 /nfs/dbraw/zinc/17/99/60/950179960.db2.gz NIEFNLJZNSMGQF-UWVGGRQHSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)NC(N)=O ZINC001574494725 950178499 /nfs/dbraw/zinc/17/84/99/950178499.db2.gz NIEFNLJZNSMGQF-VHSXEESVSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)NC(N)=O ZINC001574494726 950179162 /nfs/dbraw/zinc/17/91/62/950179162.db2.gz NIEFNLJZNSMGQF-ZJUUUORDSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574494987 950192585 /nfs/dbraw/zinc/19/25/85/950192585.db2.gz QUENXFFCIQJPHP-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574494987 950192571 /nfs/dbraw/zinc/19/25/71/950192571.db2.gz QUENXFFCIQJPHP-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574494988 950193383 /nfs/dbraw/zinc/19/33/83/950193383.db2.gz QUENXFFCIQJPHP-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574494988 950193372 /nfs/dbraw/zinc/19/33/72/950193372.db2.gz QUENXFFCIQJPHP-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574494989 950194266 /nfs/dbraw/zinc/19/42/66/950194266.db2.gz QUENXFFCIQJPHP-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574494989 950194253 /nfs/dbraw/zinc/19/42/53/950194253.db2.gz QUENXFFCIQJPHP-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574494990 950191513 /nfs/dbraw/zinc/19/15/13/950191513.db2.gz QUENXFFCIQJPHP-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574494990 950191499 /nfs/dbraw/zinc/19/14/99/950191499.db2.gz QUENXFFCIQJPHP-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574494993 950197720 /nfs/dbraw/zinc/19/77/20/950197720.db2.gz QVXZZXFNKITTCP-AAEUAGOBSA-N -1 1 383.416 -0.444 20 0 GBADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574494994 950195977 /nfs/dbraw/zinc/19/59/77/950195977.db2.gz QVXZZXFNKITTCP-DGCLKSJQSA-N -1 1 383.416 -0.444 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574494995 950198483 /nfs/dbraw/zinc/19/84/83/950198483.db2.gz QVXZZXFNKITTCP-WCQYABFASA-N -1 1 383.416 -0.444 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574494996 950196798 /nfs/dbraw/zinc/19/67/98/950196798.db2.gz QVXZZXFNKITTCP-YPMHNXCESA-N -1 1 383.416 -0.444 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)NC(N)=O ZINC001574495237 950198928 /nfs/dbraw/zinc/19/89/28/950198928.db2.gz RPSPLDSFZCIVOM-GXSJLCMTSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)NC(N)=O ZINC001574495237 950198913 /nfs/dbraw/zinc/19/89/13/950198913.db2.gz RPSPLDSFZCIVOM-GXSJLCMTSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)NC(N)=O ZINC001574495239 950196366 /nfs/dbraw/zinc/19/63/66/950196366.db2.gz RPSPLDSFZCIVOM-KOLCDFICSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)NC(N)=O ZINC001574495239 950196357 /nfs/dbraw/zinc/19/63/57/950196357.db2.gz RPSPLDSFZCIVOM-KOLCDFICSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)NC(N)=O ZINC001574495240 950198353 /nfs/dbraw/zinc/19/83/53/950198353.db2.gz RPSPLDSFZCIVOM-MWLCHTKSSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)NC(N)=O ZINC001574495240 950198334 /nfs/dbraw/zinc/19/83/34/950198334.db2.gz RPSPLDSFZCIVOM-MWLCHTKSSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)NC(N)=O ZINC001574495242 950197821 /nfs/dbraw/zinc/19/78/21/950197821.db2.gz RPSPLDSFZCIVOM-ONGXEEELSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)NC(N)=O ZINC001574495242 950197795 /nfs/dbraw/zinc/19/77/95/950197795.db2.gz RPSPLDSFZCIVOM-ONGXEEELSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)NC(N)=O ZINC001574495342 950204449 /nfs/dbraw/zinc/20/44/49/950204449.db2.gz SLUNMLQETQGMFF-GXSJLCMTSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)NC(N)=O ZINC001574495342 950204433 /nfs/dbraw/zinc/20/44/33/950204433.db2.gz SLUNMLQETQGMFF-GXSJLCMTSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)NC(N)=O ZINC001574495345 950203700 /nfs/dbraw/zinc/20/37/00/950203700.db2.gz SLUNMLQETQGMFF-KOLCDFICSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)NC(N)=O ZINC001574495345 950203688 /nfs/dbraw/zinc/20/36/88/950203688.db2.gz SLUNMLQETQGMFF-KOLCDFICSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)NC(N)=O ZINC001574495348 950201927 /nfs/dbraw/zinc/20/19/27/950201927.db2.gz SLUNMLQETQGMFF-MWLCHTKSSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)NC(N)=O ZINC001574495348 950201914 /nfs/dbraw/zinc/20/19/14/950201914.db2.gz SLUNMLQETQGMFF-MWLCHTKSSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)NC(N)=O ZINC001574495351 950201496 /nfs/dbraw/zinc/20/14/96/950201496.db2.gz SLUNMLQETQGMFF-ONGXEEELSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)NC(N)=O ZINC001574495351 950201481 /nfs/dbraw/zinc/20/14/81/950201481.db2.gz SLUNMLQETQGMFF-ONGXEEELSA-N -1 1 388.436 -0.565 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574495639 950205392 /nfs/dbraw/zinc/20/53/92/950205392.db2.gz UKFBPJKTOCZOLU-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574495639 950205372 /nfs/dbraw/zinc/20/53/72/950205372.db2.gz UKFBPJKTOCZOLU-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574495643 950206149 /nfs/dbraw/zinc/20/61/49/950206149.db2.gz UKFBPJKTOCZOLU-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574495643 950206136 /nfs/dbraw/zinc/20/61/36/950206136.db2.gz UKFBPJKTOCZOLU-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574495647 950207367 /nfs/dbraw/zinc/20/73/67/950207367.db2.gz UKFBPJKTOCZOLU-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574495647 950207347 /nfs/dbraw/zinc/20/73/47/950207347.db2.gz UKFBPJKTOCZOLU-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574495652 950205667 /nfs/dbraw/zinc/20/56/67/950205667.db2.gz UKFBPJKTOCZOLU-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574495652 950205657 /nfs/dbraw/zinc/20/56/57/950205657.db2.gz UKFBPJKTOCZOLU-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574497687 950236916 /nfs/dbraw/zinc/23/69/16/950236916.db2.gz BCRCTSGNGRUIJV-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574497687 950236897 /nfs/dbraw/zinc/23/68/97/950236897.db2.gz BCRCTSGNGRUIJV-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574497688 950236546 /nfs/dbraw/zinc/23/65/46/950236546.db2.gz BCRCTSGNGRUIJV-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574497688 950236524 /nfs/dbraw/zinc/23/65/24/950236524.db2.gz BCRCTSGNGRUIJV-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574497689 950238003 /nfs/dbraw/zinc/23/80/03/950238003.db2.gz BCRCTSGNGRUIJV-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574497689 950237983 /nfs/dbraw/zinc/23/79/83/950237983.db2.gz BCRCTSGNGRUIJV-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574497690 950236021 /nfs/dbraw/zinc/23/60/21/950236021.db2.gz BCRCTSGNGRUIJV-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574497690 950236002 /nfs/dbraw/zinc/23/60/02/950236002.db2.gz BCRCTSGNGRUIJV-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574497763 950241023 /nfs/dbraw/zinc/24/10/23/950241023.db2.gz CLJKCZHNWDLEOF-JTQLQIEISA-N -1 1 386.420 -0.644 20 0 GBADMM C[C@@H](CC(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574497763 950241009 /nfs/dbraw/zinc/24/10/09/950241009.db2.gz CLJKCZHNWDLEOF-JTQLQIEISA-N -1 1 386.420 -0.644 20 0 GBADMM C[C@H](CC(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574497764 950243728 /nfs/dbraw/zinc/24/37/28/950243728.db2.gz CLJKCZHNWDLEOF-SNVBAGLBSA-N -1 1 386.420 -0.644 20 0 GBADMM C[C@H](CC(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574497764 950243708 /nfs/dbraw/zinc/24/37/08/950243708.db2.gz CLJKCZHNWDLEOF-SNVBAGLBSA-N -1 1 386.420 -0.644 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574497851 950244711 /nfs/dbraw/zinc/24/47/11/950244711.db2.gz FBTOSASRLMFQAF-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574497851 950244697 /nfs/dbraw/zinc/24/46/97/950244697.db2.gz FBTOSASRLMFQAF-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574497852 950245233 /nfs/dbraw/zinc/24/52/33/950245233.db2.gz FBTOSASRLMFQAF-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574497852 950245211 /nfs/dbraw/zinc/24/52/11/950245211.db2.gz FBTOSASRLMFQAF-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574497853 950245351 /nfs/dbraw/zinc/24/53/51/950245351.db2.gz FBTOSASRLMFQAF-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574497853 950245334 /nfs/dbraw/zinc/24/53/34/950245334.db2.gz FBTOSASRLMFQAF-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574497854 950245793 /nfs/dbraw/zinc/24/57/93/950245793.db2.gz FBTOSASRLMFQAF-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574497854 950245774 /nfs/dbraw/zinc/24/57/74/950245774.db2.gz FBTOSASRLMFQAF-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574499183 950293809 /nfs/dbraw/zinc/29/38/09/950293809.db2.gz SNHLZHQFEPFRRV-AAEUAGOBSA-N -1 1 383.416 -0.444 20 0 GBADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574499184 950294133 /nfs/dbraw/zinc/29/41/33/950294133.db2.gz SNHLZHQFEPFRRV-DGCLKSJQSA-N -1 1 383.416 -0.444 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574499185 950293213 /nfs/dbraw/zinc/29/32/13/950293213.db2.gz SNHLZHQFEPFRRV-WCQYABFASA-N -1 1 383.416 -0.444 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574499186 950294718 /nfs/dbraw/zinc/29/47/18/950294718.db2.gz SNHLZHQFEPFRRV-YPMHNXCESA-N -1 1 383.416 -0.444 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574499892 950309165 /nfs/dbraw/zinc/30/91/65/950309165.db2.gz XMYDZFGLLASEMR-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574499892 950309151 /nfs/dbraw/zinc/30/91/51/950309151.db2.gz XMYDZFGLLASEMR-CMPLNLGQSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574499896 950306990 /nfs/dbraw/zinc/30/69/90/950306990.db2.gz XMYDZFGLLASEMR-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574499896 950306973 /nfs/dbraw/zinc/30/69/73/950306973.db2.gz XMYDZFGLLASEMR-JQWIXIFHSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574499901 950311171 /nfs/dbraw/zinc/31/11/71/950311171.db2.gz XMYDZFGLLASEMR-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574499901 950311151 /nfs/dbraw/zinc/31/11/51/950311151.db2.gz XMYDZFGLLASEMR-PWSUYJOCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574499906 950311225 /nfs/dbraw/zinc/31/12/25/950311225.db2.gz XMYDZFGLLASEMR-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574499906 950311206 /nfs/dbraw/zinc/31/12/06/950311206.db2.gz XMYDZFGLLASEMR-ZYHUDNBSSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H](CC(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574501095 950319823 /nfs/dbraw/zinc/31/98/23/950319823.db2.gz BEBWLYQGNMWNLN-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574501095 950319803 /nfs/dbraw/zinc/31/98/03/950319803.db2.gz BEBWLYQGNMWNLN-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574501096 950318022 /nfs/dbraw/zinc/31/80/22/950318022.db2.gz BEBWLYQGNMWNLN-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574501096 950317997 /nfs/dbraw/zinc/31/79/97/950317997.db2.gz BEBWLYQGNMWNLN-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574501097 950319578 /nfs/dbraw/zinc/31/95/78/950319578.db2.gz BEBWLYQGNMWNLN-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574501097 950319559 /nfs/dbraw/zinc/31/95/59/950319559.db2.gz BEBWLYQGNMWNLN-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574501098 950322025 /nfs/dbraw/zinc/32/20/25/950322025.db2.gz BEBWLYQGNMWNLN-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574501098 950322001 /nfs/dbraw/zinc/32/20/01/950322001.db2.gz BEBWLYQGNMWNLN-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574501247 950324621 /nfs/dbraw/zinc/32/46/21/950324621.db2.gz CDQFFQCHOCSSFZ-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574501247 950324600 /nfs/dbraw/zinc/32/46/00/950324600.db2.gz CDQFFQCHOCSSFZ-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574501248 950324686 /nfs/dbraw/zinc/32/46/86/950324686.db2.gz CDQFFQCHOCSSFZ-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574501248 950324667 /nfs/dbraw/zinc/32/46/67/950324667.db2.gz CDQFFQCHOCSSFZ-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574501249 950326271 /nfs/dbraw/zinc/32/62/71/950326271.db2.gz CDQFFQCHOCSSFZ-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574501249 950326232 /nfs/dbraw/zinc/32/62/32/950326232.db2.gz CDQFFQCHOCSSFZ-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574501250 950326546 /nfs/dbraw/zinc/32/65/46/950326546.db2.gz CDQFFQCHOCSSFZ-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574501250 950326524 /nfs/dbraw/zinc/32/65/24/950326524.db2.gz CDQFFQCHOCSSFZ-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574501301 950332422 /nfs/dbraw/zinc/33/24/22/950332422.db2.gz CQNDVXDBFRFOAV-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574501302 950333875 /nfs/dbraw/zinc/33/38/75/950333875.db2.gz CQNDVXDBFRFOAV-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574501303 950333590 /nfs/dbraw/zinc/33/35/90/950333590.db2.gz CQNDVXDBFRFOAV-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574501304 950333370 /nfs/dbraw/zinc/33/33/70/950333370.db2.gz CQNDVXDBFRFOAV-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574501321 950332903 /nfs/dbraw/zinc/33/29/03/950332903.db2.gz CZVJRJAILXGRGZ-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574501321 950332885 /nfs/dbraw/zinc/33/28/85/950332885.db2.gz CZVJRJAILXGRGZ-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574501322 950332283 /nfs/dbraw/zinc/33/22/83/950332283.db2.gz CZVJRJAILXGRGZ-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574501322 950332262 /nfs/dbraw/zinc/33/22/62/950332262.db2.gz CZVJRJAILXGRGZ-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574501323 950330500 /nfs/dbraw/zinc/33/05/00/950330500.db2.gz CZVJRJAILXGRGZ-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574501323 950330478 /nfs/dbraw/zinc/33/04/78/950330478.db2.gz CZVJRJAILXGRGZ-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574501324 950332512 /nfs/dbraw/zinc/33/25/12/950332512.db2.gz CZVJRJAILXGRGZ-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574501324 950332489 /nfs/dbraw/zinc/33/24/89/950332489.db2.gz CZVJRJAILXGRGZ-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574501505 950334537 /nfs/dbraw/zinc/33/45/37/950334537.db2.gz DXYIHFFFJDSCEM-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574501506 950335811 /nfs/dbraw/zinc/33/58/11/950335811.db2.gz DXYIHFFFJDSCEM-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574501507 950335744 /nfs/dbraw/zinc/33/57/44/950335744.db2.gz DXYIHFFFJDSCEM-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574501508 950337391 /nfs/dbraw/zinc/33/73/91/950337391.db2.gz DXYIHFFFJDSCEM-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574501683 950339540 /nfs/dbraw/zinc/33/95/40/950339540.db2.gz GGGGCNYGNRCGAA-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574501683 950339517 /nfs/dbraw/zinc/33/95/17/950339517.db2.gz GGGGCNYGNRCGAA-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574501684 950343822 /nfs/dbraw/zinc/34/38/22/950343822.db2.gz GGGGCNYGNRCGAA-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574501684 950343806 /nfs/dbraw/zinc/34/38/06/950343806.db2.gz GGGGCNYGNRCGAA-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574501685 950342525 /nfs/dbraw/zinc/34/25/25/950342525.db2.gz GGGGCNYGNRCGAA-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574501685 950342505 /nfs/dbraw/zinc/34/25/05/950342505.db2.gz GGGGCNYGNRCGAA-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)NC(N)=O ZINC001574501686 950343642 /nfs/dbraw/zinc/34/36/42/950343642.db2.gz GGGGCNYGNRCGAA-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)NC(N)=O ZINC001574501686 950343624 /nfs/dbraw/zinc/34/36/24/950343624.db2.gz GGGGCNYGNRCGAA-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574502171 950362167 /nfs/dbraw/zinc/36/21/67/950362167.db2.gz KCDUYFGAQKEXIV-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574502171 950362143 /nfs/dbraw/zinc/36/21/43/950362143.db2.gz KCDUYFGAQKEXIV-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NC(N)=O ZINC001574502172 950364574 /nfs/dbraw/zinc/36/45/74/950364574.db2.gz KCDUYFGAQKEXIV-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NC(N)=O ZINC001574502172 950364557 /nfs/dbraw/zinc/36/45/57/950364557.db2.gz KCDUYFGAQKEXIV-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574502177 950365084 /nfs/dbraw/zinc/36/50/84/950365084.db2.gz KEORYMMOCHEHQY-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574502177 950365060 /nfs/dbraw/zinc/36/50/60/950365060.db2.gz KEORYMMOCHEHQY-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574502178 950361610 /nfs/dbraw/zinc/36/16/10/950361610.db2.gz KEORYMMOCHEHQY-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)NC(N)=O ZINC001574502178 950361591 /nfs/dbraw/zinc/36/15/91/950361591.db2.gz KEORYMMOCHEHQY-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCCCN(c1nccnc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574502201 950364164 /nfs/dbraw/zinc/36/41/64/950364164.db2.gz KIHGLJAEYCRUSG-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NCCCN(c1nccnc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574502201 950364151 /nfs/dbraw/zinc/36/41/51/950364151.db2.gz KIHGLJAEYCRUSG-JTQLQIEISA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NCCCN(c1nccnc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574502202 950363066 /nfs/dbraw/zinc/36/30/66/950363066.db2.gz KIHGLJAEYCRUSG-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NCCCN(c1nccnc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574502202 950363045 /nfs/dbraw/zinc/36/30/45/950363045.db2.gz KIHGLJAEYCRUSG-SNVBAGLBSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574502349 950374422 /nfs/dbraw/zinc/37/44/22/950374422.db2.gz MFTGJUKDFZXZMA-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574502349 950374395 /nfs/dbraw/zinc/37/43/95/950374395.db2.gz MFTGJUKDFZXZMA-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574502350 950376600 /nfs/dbraw/zinc/37/66/00/950376600.db2.gz MFTGJUKDFZXZMA-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574502350 950376578 /nfs/dbraw/zinc/37/65/78/950376578.db2.gz MFTGJUKDFZXZMA-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574502351 950376727 /nfs/dbraw/zinc/37/67/27/950376727.db2.gz MFTGJUKDFZXZMA-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574502351 950376708 /nfs/dbraw/zinc/37/67/08/950376708.db2.gz MFTGJUKDFZXZMA-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574502352 950375385 /nfs/dbraw/zinc/37/53/85/950375385.db2.gz MFTGJUKDFZXZMA-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574502352 950375361 /nfs/dbraw/zinc/37/53/61/950375361.db2.gz MFTGJUKDFZXZMA-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574502489 950387771 /nfs/dbraw/zinc/38/77/71/950387771.db2.gz NYDSXAFIQHODPP-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)NC(N)=O ZINC001574502490 950383156 /nfs/dbraw/zinc/38/31/56/950383156.db2.gz NYDSXAFIQHODPP-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574502511 950386380 /nfs/dbraw/zinc/38/63/80/950386380.db2.gz ONILHSKMZCZEMP-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574502511 950386360 /nfs/dbraw/zinc/38/63/60/950386360.db2.gz ONILHSKMZCZEMP-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574502512 950385392 /nfs/dbraw/zinc/38/53/92/950385392.db2.gz ONILHSKMZCZEMP-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574502512 950385373 /nfs/dbraw/zinc/38/53/73/950385373.db2.gz ONILHSKMZCZEMP-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574502513 950383720 /nfs/dbraw/zinc/38/37/20/950383720.db2.gz ONILHSKMZCZEMP-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574502513 950383703 /nfs/dbraw/zinc/38/37/03/950383703.db2.gz ONILHSKMZCZEMP-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574502514 950385913 /nfs/dbraw/zinc/38/59/13/950385913.db2.gz ONILHSKMZCZEMP-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574502514 950385893 /nfs/dbraw/zinc/38/58/93/950385893.db2.gz ONILHSKMZCZEMP-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574502687 950389063 /nfs/dbraw/zinc/38/90/63/950389063.db2.gz PZPLMUPQQDKOOD-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574502687 950389046 /nfs/dbraw/zinc/38/90/46/950389046.db2.gz PZPLMUPQQDKOOD-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574502688 950389617 /nfs/dbraw/zinc/38/96/17/950389617.db2.gz PZPLMUPQQDKOOD-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574502688 950389597 /nfs/dbraw/zinc/38/95/97/950389597.db2.gz PZPLMUPQQDKOOD-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574502823 950390937 /nfs/dbraw/zinc/39/09/37/950390937.db2.gz QRGCAXPUBOLPKZ-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574502823 950390915 /nfs/dbraw/zinc/39/09/15/950390915.db2.gz QRGCAXPUBOLPKZ-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574502824 950388471 /nfs/dbraw/zinc/38/84/71/950388471.db2.gz QRGCAXPUBOLPKZ-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574502824 950388450 /nfs/dbraw/zinc/38/84/50/950388450.db2.gz QRGCAXPUBOLPKZ-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574502825 950392115 /nfs/dbraw/zinc/39/21/15/950392115.db2.gz QRGCAXPUBOLPKZ-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574502825 950392097 /nfs/dbraw/zinc/39/20/97/950392097.db2.gz QRGCAXPUBOLPKZ-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574502826 950389305 /nfs/dbraw/zinc/38/93/05/950389305.db2.gz QRGCAXPUBOLPKZ-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)NC(N)=O ZINC001574502826 950389286 /nfs/dbraw/zinc/38/92/86/950389286.db2.gz QRGCAXPUBOLPKZ-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574503415 950410960 /nfs/dbraw/zinc/41/09/60/950410960.db2.gz VSVHUZVJUDOXHN-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574503415 950410948 /nfs/dbraw/zinc/41/09/48/950410948.db2.gz VSVHUZVJUDOXHN-GHMZBOCLSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574503416 950408453 /nfs/dbraw/zinc/40/84/53/950408453.db2.gz VSVHUZVJUDOXHN-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574503416 950408448 /nfs/dbraw/zinc/40/84/48/950408448.db2.gz VSVHUZVJUDOXHN-MNOVXSKESA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574503417 950407869 /nfs/dbraw/zinc/40/78/69/950407869.db2.gz VSVHUZVJUDOXHN-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574503417 950407854 /nfs/dbraw/zinc/40/78/54/950407854.db2.gz VSVHUZVJUDOXHN-QWRGUYRKSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574503418 950410136 /nfs/dbraw/zinc/41/01/36/950410136.db2.gz VSVHUZVJUDOXHN-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574503418 950410126 /nfs/dbraw/zinc/41/01/26/950410126.db2.gz VSVHUZVJUDOXHN-WDEREUQCSA-N -1 1 388.436 -0.421 20 0 GBADMM C[C@H](CC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574503455 950410907 /nfs/dbraw/zinc/41/09/07/950410907.db2.gz WOEGOGNCSJTCTH-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574503456 950407797 /nfs/dbraw/zinc/40/77/97/950407797.db2.gz WOEGOGNCSJTCTH-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574503457 950408539 /nfs/dbraw/zinc/40/85/39/950408539.db2.gz WOEGOGNCSJTCTH-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)NC(N)=O ZINC001574503458 950415723 /nfs/dbraw/zinc/41/57/23/950415723.db2.gz WOEGOGNCSJTCTH-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574504034 950423296 /nfs/dbraw/zinc/42/32/96/950423296.db2.gz ZMLTVUZDRUAWQA-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](CC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574504034 950423279 /nfs/dbraw/zinc/42/32/79/950423279.db2.gz ZMLTVUZDRUAWQA-JTQLQIEISA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574504035 950422665 /nfs/dbraw/zinc/42/26/65/950422665.db2.gz ZMLTVUZDRUAWQA-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574504035 950422650 /nfs/dbraw/zinc/42/26/50/950422650.db2.gz ZMLTVUZDRUAWQA-SNVBAGLBSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)NC(N)=O ZINC001574506863 950447532 /nfs/dbraw/zinc/44/75/32/950447532.db2.gz HIKDJBGOTGNGKX-GMTAPVOTSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)NC(N)=O ZINC001574506865 950445150 /nfs/dbraw/zinc/44/51/50/950445150.db2.gz HIKDJBGOTGNGKX-OUAUKWLOSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)NC(N)=O ZINC001574508293 950476226 /nfs/dbraw/zinc/47/62/26/950476226.db2.gz NHRXZQAWQCWTJU-GMTAPVOTSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)NC(N)=O ZINC001574508293 950476210 /nfs/dbraw/zinc/47/62/10/950476210.db2.gz NHRXZQAWQCWTJU-GMTAPVOTSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)NC(N)=O ZINC001574508297 950479059 /nfs/dbraw/zinc/47/90/59/950479059.db2.gz NHRXZQAWQCWTJU-OUAUKWLOSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)NC(N)=O ZINC001574508297 950479046 /nfs/dbraw/zinc/47/90/46/950479046.db2.gz NHRXZQAWQCWTJU-OUAUKWLOSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)NC(N)=O ZINC001574508452 950475950 /nfs/dbraw/zinc/47/59/50/950475950.db2.gz OSEUJQAFLJQTQN-GMTAPVOTSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)NC(N)=O ZINC001574508452 950475936 /nfs/dbraw/zinc/47/59/36/950475936.db2.gz OSEUJQAFLJQTQN-GMTAPVOTSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)NC(N)=O ZINC001574508455 950479197 /nfs/dbraw/zinc/47/91/97/950479197.db2.gz OSEUJQAFLJQTQN-OUAUKWLOSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)NC(N)=O ZINC001574508455 950479190 /nfs/dbraw/zinc/47/91/90/950479190.db2.gz OSEUJQAFLJQTQN-OUAUKWLOSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)NC(N)=O ZINC001574508998 950496421 /nfs/dbraw/zinc/49/64/21/950496421.db2.gz NSYRGXXBPZLLEO-LURJTMIESA-N -1 1 387.857 -0.024 20 0 GBADMM C[C@@H](CC(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)NC(N)=O ZINC001574508998 950496403 /nfs/dbraw/zinc/49/64/03/950496403.db2.gz NSYRGXXBPZLLEO-LURJTMIESA-N -1 1 387.857 -0.024 20 0 GBADMM C[C@H](CC(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)NC(N)=O ZINC001574508999 950496232 /nfs/dbraw/zinc/49/62/32/950496232.db2.gz NSYRGXXBPZLLEO-ZCFIWIBFSA-N -1 1 387.857 -0.024 20 0 GBADMM C[C@H](CC(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)NC(N)=O ZINC001574508999 950496219 /nfs/dbraw/zinc/49/62/19/950496219.db2.gz NSYRGXXBPZLLEO-ZCFIWIBFSA-N -1 1 387.857 -0.024 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)NC(N)=O ZINC001574509191 950499203 /nfs/dbraw/zinc/49/92/03/950499203.db2.gz SAXWRSGMCPTGCB-GMTAPVOTSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)NC(N)=O ZINC001574509191 950499190 /nfs/dbraw/zinc/49/91/90/950499190.db2.gz SAXWRSGMCPTGCB-GMTAPVOTSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)NC(N)=O ZINC001574509192 950499612 /nfs/dbraw/zinc/49/96/12/950499612.db2.gz SAXWRSGMCPTGCB-OUAUKWLOSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)NC(N)=O ZINC001574509192 950499601 /nfs/dbraw/zinc/49/96/01/950499601.db2.gz SAXWRSGMCPTGCB-OUAUKWLOSA-N -1 1 388.436 -0.708 20 0 GBADMM C[C@@H](CC(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)NC(N)=O ZINC001574509700 950527192 /nfs/dbraw/zinc/52/71/92/950527192.db2.gz VXUIMLHQHJRNSR-LURJTMIESA-N -1 1 387.857 -0.024 20 0 GBADMM C[C@H](CC(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)NC(N)=O ZINC001574509701 950525274 /nfs/dbraw/zinc/52/52/74/950525274.db2.gz VXUIMLHQHJRNSR-ZCFIWIBFSA-N -1 1 387.857 -0.024 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C(F)(F)F ZINC001574510836 950544569 /nfs/dbraw/zinc/54/45/69/950544569.db2.gz BBHIZRCCMHDDJE-HLTSFMKQSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C(F)(F)F ZINC001574510836 950544553 /nfs/dbraw/zinc/54/45/53/950544553.db2.gz BBHIZRCCMHDDJE-HLTSFMKQSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C(F)(F)F ZINC001574510840 950545306 /nfs/dbraw/zinc/54/53/06/950545306.db2.gz BBHIZRCCMHDDJE-YIZRAAEISA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C(F)(F)F ZINC001574510840 950545284 /nfs/dbraw/zinc/54/52/84/950545284.db2.gz BBHIZRCCMHDDJE-YIZRAAEISA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C(F)(F)F ZINC001574510914 950550646 /nfs/dbraw/zinc/55/06/46/950550646.db2.gz DMXVHGNRUCHPFJ-DJLDLDEBSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)(F)F ZINC001574510915 950549457 /nfs/dbraw/zinc/54/94/57/950549457.db2.gz DMXVHGNRUCHPFJ-HLTSFMKQSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C(F)(F)F ZINC001574510916 950549525 /nfs/dbraw/zinc/54/95/25/950549525.db2.gz DMXVHGNRUCHPFJ-IWSPIJDZSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)(F)F ZINC001574510917 950552420 /nfs/dbraw/zinc/55/24/20/950552420.db2.gz DMXVHGNRUCHPFJ-YIZRAAEISA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)n1ccnc1 ZINC001574511071 950550753 /nfs/dbraw/zinc/55/07/53/950550753.db2.gz FRUQVOFDKHCBOV-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)n1ccnc1 ZINC001574511074 950549772 /nfs/dbraw/zinc/54/97/72/950549772.db2.gz FRUQVOFDKHCBOV-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C(F)(F)F ZINC001574511105 950549278 /nfs/dbraw/zinc/54/92/78/950549278.db2.gz GFAAEOGPBVZITR-FXBDTBDDSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C(F)(F)F ZINC001574511105 950549261 /nfs/dbraw/zinc/54/92/61/950549261.db2.gz GFAAEOGPBVZITR-FXBDTBDDSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)(F)F ZINC001574511107 950550045 /nfs/dbraw/zinc/55/00/45/950550045.db2.gz GFAAEOGPBVZITR-QNSHHTMESA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C(F)(F)F ZINC001574511107 950550028 /nfs/dbraw/zinc/55/00/28/950550028.db2.gz GFAAEOGPBVZITR-QNSHHTMESA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)(F)F ZINC001574511109 950552157 /nfs/dbraw/zinc/55/21/57/950552157.db2.gz GFAAEOGPBVZITR-SFGNSQDASA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C(F)(F)F ZINC001574511109 950552142 /nfs/dbraw/zinc/55/21/42/950552142.db2.gz GFAAEOGPBVZITR-SFGNSQDASA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C(F)(F)F ZINC001574511112 950552091 /nfs/dbraw/zinc/55/20/91/950552091.db2.gz GFAAEOGPBVZITR-SZEHBUNVSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C(F)(F)F ZINC001574511112 950552080 /nfs/dbraw/zinc/55/20/80/950552080.db2.gz GFAAEOGPBVZITR-SZEHBUNVSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)n1ccnc1 ZINC001574511114 950551673 /nfs/dbraw/zinc/55/16/73/950551673.db2.gz GFTMEAIWFIRZJG-IJLUTSLNSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)n1ccnc1 ZINC001574511114 950551657 /nfs/dbraw/zinc/55/16/57/950551657.db2.gz GFTMEAIWFIRZJG-IJLUTSLNSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)n1ccnc1 ZINC001574511117 950550606 /nfs/dbraw/zinc/55/06/06/950550606.db2.gz GFTMEAIWFIRZJG-QJPTWQEYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)n1ccnc1 ZINC001574511117 950550593 /nfs/dbraw/zinc/55/05/93/950550593.db2.gz GFTMEAIWFIRZJG-QJPTWQEYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)n1ccnc1 ZINC001574511119 950550148 /nfs/dbraw/zinc/55/01/48/950550148.db2.gz GFTMEAIWFIRZJG-TUAOUCFPSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)n1ccnc1 ZINC001574511119 950550139 /nfs/dbraw/zinc/55/01/39/950550139.db2.gz GFTMEAIWFIRZJG-TUAOUCFPSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)n1ccnc1 ZINC001574511121 950550316 /nfs/dbraw/zinc/55/03/16/950550316.db2.gz GFTMEAIWFIRZJG-UTUOFQBUSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)n1ccnc1 ZINC001574511121 950550307 /nfs/dbraw/zinc/55/03/07/950550307.db2.gz GFTMEAIWFIRZJG-UTUOFQBUSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)n1ccnc1 ZINC001574511165 950557874 /nfs/dbraw/zinc/55/78/74/950557874.db2.gz GXPUDFPDQKTBHB-TUAOUCFPSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)n1ccnc1 ZINC001574511167 950555718 /nfs/dbraw/zinc/55/57/18/950555718.db2.gz GXPUDFPDQKTBHB-UTUOFQBUSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)n1cccn1 ZINC001574511204 950555476 /nfs/dbraw/zinc/55/54/76/950555476.db2.gz HRBTZYYLZWEOJU-IJLUTSLNSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)n1cccn1 ZINC001574511204 950555456 /nfs/dbraw/zinc/55/54/56/950555456.db2.gz HRBTZYYLZWEOJU-IJLUTSLNSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)n1cccn1 ZINC001574511205 950556503 /nfs/dbraw/zinc/55/65/03/950556503.db2.gz HRBTZYYLZWEOJU-QJPTWQEYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)n1cccn1 ZINC001574511205 950556484 /nfs/dbraw/zinc/55/64/84/950556484.db2.gz HRBTZYYLZWEOJU-QJPTWQEYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)n1cccn1 ZINC001574511206 950555098 /nfs/dbraw/zinc/55/50/98/950555098.db2.gz HRBTZYYLZWEOJU-TUAOUCFPSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)n1cccn1 ZINC001574511206 950555073 /nfs/dbraw/zinc/55/50/73/950555073.db2.gz HRBTZYYLZWEOJU-TUAOUCFPSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)n1cccn1 ZINC001574511207 950556562 /nfs/dbraw/zinc/55/65/62/950556562.db2.gz HRBTZYYLZWEOJU-UTUOFQBUSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)n1cccn1 ZINC001574511207 950556546 /nfs/dbraw/zinc/55/65/46/950556546.db2.gz HRBTZYYLZWEOJU-UTUOFQBUSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574511361 950554622 /nfs/dbraw/zinc/55/46/22/950554622.db2.gz IVLWGYSJIPDLPX-BFLSOPEQSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574511361 950554606 /nfs/dbraw/zinc/55/46/06/950554606.db2.gz IVLWGYSJIPDLPX-BFLSOPEQSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574511362 950557098 /nfs/dbraw/zinc/55/70/98/950557098.db2.gz IVLWGYSJIPDLPX-XNDJQWLSSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574511362 950557082 /nfs/dbraw/zinc/55/70/82/950557082.db2.gz IVLWGYSJIPDLPX-XNDJQWLSSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574511395 950558925 /nfs/dbraw/zinc/55/89/25/950558925.db2.gz JXUDIDCIRNKSSD-DBIOUOCHSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574511395 950558912 /nfs/dbraw/zinc/55/89/12/950558912.db2.gz JXUDIDCIRNKSSD-DBIOUOCHSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574511396 950560121 /nfs/dbraw/zinc/56/01/21/950560121.db2.gz JXUDIDCIRNKSSD-ZDCRXTMVSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574511396 950560103 /nfs/dbraw/zinc/56/01/03/950560103.db2.gz JXUDIDCIRNKSSD-ZDCRXTMVSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccncc1 ZINC001574511403 950558552 /nfs/dbraw/zinc/55/85/52/950558552.db2.gz KJGRXGKMSVQQGO-IACUBPJLSA-N -1 1 395.427 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccncc1 ZINC001574511403 950558540 /nfs/dbraw/zinc/55/85/40/950558540.db2.gz KJGRXGKMSVQQGO-IACUBPJLSA-N -1 1 395.427 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccncc1 ZINC001574511404 950562195 /nfs/dbraw/zinc/56/21/95/950562195.db2.gz KJGRXGKMSVQQGO-MRVWCRGKSA-N -1 1 395.427 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccncc1 ZINC001574511404 950562176 /nfs/dbraw/zinc/56/21/76/950562176.db2.gz KJGRXGKMSVQQGO-MRVWCRGKSA-N -1 1 395.427 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C(F)(F)F ZINC001574511559 950565876 /nfs/dbraw/zinc/56/58/76/950565876.db2.gz LWSXJSNAGCVMAY-FXBDTBDDSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C(F)(F)F ZINC001574511559 950565866 /nfs/dbraw/zinc/56/58/66/950565866.db2.gz LWSXJSNAGCVMAY-FXBDTBDDSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(F)(F)F ZINC001574511560 950567116 /nfs/dbraw/zinc/56/71/16/950567116.db2.gz LWSXJSNAGCVMAY-QNSHHTMESA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(F)(F)F ZINC001574511560 950567100 /nfs/dbraw/zinc/56/71/00/950567100.db2.gz LWSXJSNAGCVMAY-QNSHHTMESA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(F)(F)F ZINC001574511561 950565129 /nfs/dbraw/zinc/56/51/29/950565129.db2.gz LWSXJSNAGCVMAY-SFGNSQDASA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(F)(F)F ZINC001574511561 950565110 /nfs/dbraw/zinc/56/51/10/950565110.db2.gz LWSXJSNAGCVMAY-SFGNSQDASA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C(F)(F)F ZINC001574511562 950563912 /nfs/dbraw/zinc/56/39/12/950563912.db2.gz LWSXJSNAGCVMAY-SZEHBUNVSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C(F)(F)F ZINC001574511562 950563904 /nfs/dbraw/zinc/56/39/04/950563904.db2.gz LWSXJSNAGCVMAY-SZEHBUNVSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)n1cccn1 ZINC001574511585 950567229 /nfs/dbraw/zinc/56/72/29/950567229.db2.gz NCQQDEOASSDPCN-CYZMBNFOSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)n1cccn1 ZINC001574511585 950567214 /nfs/dbraw/zinc/56/72/14/950567214.db2.gz NCQQDEOASSDPCN-CYZMBNFOSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)n1cccn1 ZINC001574511586 950566180 /nfs/dbraw/zinc/56/61/80/950566180.db2.gz NCQQDEOASSDPCN-RAIGVLPGSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)n1cccn1 ZINC001574511586 950566165 /nfs/dbraw/zinc/56/61/65/950566165.db2.gz NCQQDEOASSDPCN-RAIGVLPGSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)n1cccn1 ZINC001574511587 950564921 /nfs/dbraw/zinc/56/49/21/950564921.db2.gz NCQQDEOASSDPCN-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)n1cccn1 ZINC001574511587 950564893 /nfs/dbraw/zinc/56/48/93/950564893.db2.gz NCQQDEOASSDPCN-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)n1cccn1 ZINC001574511588 950565829 /nfs/dbraw/zinc/56/58/29/950565829.db2.gz NCQQDEOASSDPCN-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)n1cccn1 ZINC001574511588 950565817 /nfs/dbraw/zinc/56/58/17/950565817.db2.gz NCQQDEOASSDPCN-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C(F)(F)F ZINC001574511595 950567484 /nfs/dbraw/zinc/56/74/84/950567484.db2.gz NSJPJFRHQWVYGS-FXBDTBDDSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C(F)(F)F ZINC001574511595 950567461 /nfs/dbraw/zinc/56/74/61/950567461.db2.gz NSJPJFRHQWVYGS-FXBDTBDDSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C(F)(F)F ZINC001574511596 950565422 /nfs/dbraw/zinc/56/54/22/950565422.db2.gz NSJPJFRHQWVYGS-QNSHHTMESA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C(F)(F)F ZINC001574511596 950565405 /nfs/dbraw/zinc/56/54/05/950565405.db2.gz NSJPJFRHQWVYGS-QNSHHTMESA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C(F)(F)F ZINC001574511597 950567066 /nfs/dbraw/zinc/56/70/66/950567066.db2.gz NSJPJFRHQWVYGS-SFGNSQDASA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C(F)(F)F ZINC001574511597 950567043 /nfs/dbraw/zinc/56/70/43/950567043.db2.gz NSJPJFRHQWVYGS-SFGNSQDASA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C(F)(F)F ZINC001574511598 950566751 /nfs/dbraw/zinc/56/67/51/950566751.db2.gz NSJPJFRHQWVYGS-SZEHBUNVSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C(F)(F)F ZINC001574511598 950566733 /nfs/dbraw/zinc/56/67/33/950566733.db2.gz NSJPJFRHQWVYGS-SZEHBUNVSA-N -1 1 386.338 -0.089 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)n1cccc1 ZINC001574511609 950566873 /nfs/dbraw/zinc/56/68/73/950566873.db2.gz OBUXYQYNPSBZHG-BNOWGMLFSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)n1cccc1 ZINC001574511609 950566858 /nfs/dbraw/zinc/56/68/58/950566858.db2.gz OBUXYQYNPSBZHG-BNOWGMLFSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)n1cccc1 ZINC001574511610 950563736 /nfs/dbraw/zinc/56/37/36/950563736.db2.gz OBUXYQYNPSBZHG-IACUBPJLSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)n1cccc1 ZINC001574511610 950563724 /nfs/dbraw/zinc/56/37/24/950563724.db2.gz OBUXYQYNPSBZHG-IACUBPJLSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)n1cccc1 ZINC001574511611 950563636 /nfs/dbraw/zinc/56/36/36/950563636.db2.gz OBUXYQYNPSBZHG-MRVWCRGKSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)n1cccc1 ZINC001574511611 950563625 /nfs/dbraw/zinc/56/36/25/950563625.db2.gz OBUXYQYNPSBZHG-MRVWCRGKSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)n1cccc1 ZINC001574511612 950566262 /nfs/dbraw/zinc/56/62/62/950566262.db2.gz OBUXYQYNPSBZHG-YUTCNCBUSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)n1cccc1 ZINC001574511612 950566241 /nfs/dbraw/zinc/56/62/41/950566241.db2.gz OBUXYQYNPSBZHG-YUTCNCBUSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)n1cccn1 ZINC001574511678 950571018 /nfs/dbraw/zinc/57/10/18/950571018.db2.gz PXBCFHWUSHCBHV-IJLUTSLNSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)n1cccn1 ZINC001574511679 950569987 /nfs/dbraw/zinc/56/99/87/950569987.db2.gz PXBCFHWUSHCBHV-QJPTWQEYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)n1cccn1 ZINC001574511680 950568322 /nfs/dbraw/zinc/56/83/22/950568322.db2.gz PXBCFHWUSHCBHV-TUAOUCFPSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)n1cccn1 ZINC001574511681 950569041 /nfs/dbraw/zinc/56/90/41/950569041.db2.gz PXBCFHWUSHCBHV-UTUOFQBUSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cnn(C)c1 ZINC001574511728 950570384 /nfs/dbraw/zinc/57/03/84/950570384.db2.gz SCBAJRZKJLBFHX-GDLCADMTSA-N -1 1 398.431 -0.750 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1cnn(C)c1 ZINC001574511728 950570364 /nfs/dbraw/zinc/57/03/64/950570364.db2.gz SCBAJRZKJLBFHX-GDLCADMTSA-N -1 1 398.431 -0.750 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cnn(C)c1 ZINC001574511729 950571476 /nfs/dbraw/zinc/57/14/76/950571476.db2.gz SCBAJRZKJLBFHX-HONMWMINSA-N -1 1 398.431 -0.750 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1cnn(C)c1 ZINC001574511729 950571459 /nfs/dbraw/zinc/57/14/59/950571459.db2.gz SCBAJRZKJLBFHX-HONMWMINSA-N -1 1 398.431 -0.750 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)n1cccc1 ZINC001574511782 950578042 /nfs/dbraw/zinc/57/80/42/950578042.db2.gz UDHJQSIXSXPJRO-JHJVBQTASA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)n1cccc1 ZINC001574511783 950575019 /nfs/dbraw/zinc/57/50/19/950575019.db2.gz UDHJQSIXSXPJRO-UPJWGTAASA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)n1cccc1 ZINC001574511785 950574511 /nfs/dbraw/zinc/57/45/11/950574511.db2.gz UDHJQSIXSXPJRO-XQQFMLRXSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)n1cccc1 ZINC001574511787 950575159 /nfs/dbraw/zinc/57/51/59/950575159.db2.gz UDHJQSIXSXPJRO-YNEHKIRRSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1cccn1 ZINC001574511793 950577241 /nfs/dbraw/zinc/57/72/41/950577241.db2.gz UEZXFYGFRZOJLF-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1cccn1 ZINC001574511793 950577222 /nfs/dbraw/zinc/57/72/22/950577222.db2.gz UEZXFYGFRZOJLF-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1cccn1 ZINC001574511795 950574787 /nfs/dbraw/zinc/57/47/87/950574787.db2.gz UEZXFYGFRZOJLF-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1cccn1 ZINC001574511795 950574762 /nfs/dbraw/zinc/57/47/62/950574762.db2.gz UEZXFYGFRZOJLF-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1cccc1 ZINC001574511801 950575126 /nfs/dbraw/zinc/57/51/26/950575126.db2.gz UFTSZXCCCSZWND-BNOWGMLFSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1cccc1 ZINC001574511801 950575103 /nfs/dbraw/zinc/57/51/03/950575103.db2.gz UFTSZXCCCSZWND-BNOWGMLFSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)n1cccc1 ZINC001574511803 950574158 /nfs/dbraw/zinc/57/41/58/950574158.db2.gz UFTSZXCCCSZWND-IACUBPJLSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)n1cccc1 ZINC001574511803 950574141 /nfs/dbraw/zinc/57/41/41/950574141.db2.gz UFTSZXCCCSZWND-IACUBPJLSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)n1cccc1 ZINC001574511804 950573724 /nfs/dbraw/zinc/57/37/24/950573724.db2.gz UFTSZXCCCSZWND-MRVWCRGKSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)n1cccc1 ZINC001574511804 950573690 /nfs/dbraw/zinc/57/36/90/950573690.db2.gz UFTSZXCCCSZWND-MRVWCRGKSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1cccc1 ZINC001574511805 950575403 /nfs/dbraw/zinc/57/54/03/950575403.db2.gz UFTSZXCCCSZWND-YUTCNCBUSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1cccc1 ZINC001574511805 950575391 /nfs/dbraw/zinc/57/53/91/950575391.db2.gz UFTSZXCCCSZWND-YUTCNCBUSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574511884 950578305 /nfs/dbraw/zinc/57/83/05/950578305.db2.gz UODJUDZMKBKPOQ-BFLSOPEQSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574511884 950578281 /nfs/dbraw/zinc/57/82/81/950578281.db2.gz UODJUDZMKBKPOQ-BFLSOPEQSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574511885 950577125 /nfs/dbraw/zinc/57/71/25/950577125.db2.gz UODJUDZMKBKPOQ-XNDJQWLSSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574511885 950577114 /nfs/dbraw/zinc/57/71/14/950577114.db2.gz UODJUDZMKBKPOQ-XNDJQWLSSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)n1cccc1 ZINC001574511888 950578237 /nfs/dbraw/zinc/57/82/37/950578237.db2.gz UVTITIDCJYWQGI-UPJWGTAASA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)n1cccc1 ZINC001574511888 950578208 /nfs/dbraw/zinc/57/82/08/950578208.db2.gz UVTITIDCJYWQGI-UPJWGTAASA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)n1cccc1 ZINC001574511889 950577359 /nfs/dbraw/zinc/57/73/59/950577359.db2.gz UVTITIDCJYWQGI-XQQFMLRXSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)n1cccc1 ZINC001574511889 950577335 /nfs/dbraw/zinc/57/73/35/950577335.db2.gz UVTITIDCJYWQGI-XQQFMLRXSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)n1cccc1 ZINC001574511928 950579830 /nfs/dbraw/zinc/57/98/30/950579830.db2.gz WLVMDNIOZUQHNA-BNOWGMLFSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)n1cccc1 ZINC001574511928 950579813 /nfs/dbraw/zinc/57/98/13/950579813.db2.gz WLVMDNIOZUQHNA-BNOWGMLFSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)n1cccc1 ZINC001574511929 950579207 /nfs/dbraw/zinc/57/92/07/950579207.db2.gz WLVMDNIOZUQHNA-IACUBPJLSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)n1cccc1 ZINC001574511929 950579187 /nfs/dbraw/zinc/57/91/87/950579187.db2.gz WLVMDNIOZUQHNA-IACUBPJLSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)n1cccc1 ZINC001574511930 950582958 /nfs/dbraw/zinc/58/29/58/950582958.db2.gz WLVMDNIOZUQHNA-MRVWCRGKSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)n1cccc1 ZINC001574511930 950582944 /nfs/dbraw/zinc/58/29/44/950582944.db2.gz WLVMDNIOZUQHNA-MRVWCRGKSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)n1cccc1 ZINC001574511931 950582627 /nfs/dbraw/zinc/58/26/27/950582627.db2.gz WLVMDNIOZUQHNA-YUTCNCBUSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)n1cccc1 ZINC001574511931 950582605 /nfs/dbraw/zinc/58/26/05/950582605.db2.gz WLVMDNIOZUQHNA-YUTCNCBUSA-N -1 1 383.416 -0.225 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)n1ccnc1 ZINC001574511980 950580932 /nfs/dbraw/zinc/58/09/32/950580932.db2.gz YUGLFBZKXWCTCI-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)n1ccnc1 ZINC001574511980 950580920 /nfs/dbraw/zinc/58/09/20/950580920.db2.gz YUGLFBZKXWCTCI-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)n1ccnc1 ZINC001574511981 950581025 /nfs/dbraw/zinc/58/10/25/950581025.db2.gz YUGLFBZKXWCTCI-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)n1ccnc1 ZINC001574511981 950581009 /nfs/dbraw/zinc/58/10/09/950581009.db2.gz YUGLFBZKXWCTCI-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)n1cccn1 ZINC001574511990 950583048 /nfs/dbraw/zinc/58/30/48/950583048.db2.gz ZBIAZBGWPDZBIE-CYZMBNFOSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)n1cccn1 ZINC001574511990 950583031 /nfs/dbraw/zinc/58/30/31/950583031.db2.gz ZBIAZBGWPDZBIE-CYZMBNFOSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)n1cccn1 ZINC001574511991 950579771 /nfs/dbraw/zinc/57/97/71/950579771.db2.gz ZBIAZBGWPDZBIE-RAIGVLPGSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)n1cccn1 ZINC001574511991 950579745 /nfs/dbraw/zinc/57/97/45/950579745.db2.gz ZBIAZBGWPDZBIE-RAIGVLPGSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)n1cccn1 ZINC001574511992 950579933 /nfs/dbraw/zinc/57/99/33/950579933.db2.gz ZBIAZBGWPDZBIE-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)n1cccn1 ZINC001574511992 950579911 /nfs/dbraw/zinc/57/99/11/950579911.db2.gz ZBIAZBGWPDZBIE-RTXFEEFZSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)n1cccn1 ZINC001574511993 950580790 /nfs/dbraw/zinc/58/07/90/950580790.db2.gz ZBIAZBGWPDZBIE-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)n1cccn1 ZINC001574511993 950580775 /nfs/dbraw/zinc/58/07/75/950580775.db2.gz ZBIAZBGWPDZBIE-UHTWSYAYSA-N -1 1 384.404 -0.830 20 0 GBADMM Nc1nnc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001574512086 961802484 /nfs/dbraw/zinc/80/24/84/961802484.db2.gz DEPBXADPBDZOSG-SVGQVSJJSA-N -1 1 381.336 -0.215 20 0 GBADMM Nc1nnc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001574512087 961803717 /nfs/dbraw/zinc/80/37/17/961803717.db2.gz DEPBXADPBDZOSG-XNCJUZBTSA-N -1 1 381.336 -0.215 20 0 GBADMM Nc1nnc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001574512088 961802708 /nfs/dbraw/zinc/80/27/08/961802708.db2.gz DEPBXADPBDZOSG-XRGYYRRGSA-N -1 1 381.336 -0.215 20 0 GBADMM Nc1nnc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001574512089 961803362 /nfs/dbraw/zinc/80/33/62/961803362.db2.gz DEPBXADPBDZOSG-YLWLKBPMSA-N -1 1 381.336 -0.215 20 0 GBADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574516933 950637313 /nfs/dbraw/zinc/63/73/13/950637313.db2.gz IVLWGYSJIPDLPX-SVDPJWKOSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574516933 950637301 /nfs/dbraw/zinc/63/73/01/950637301.db2.gz IVLWGYSJIPDLPX-SVDPJWKOSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574516934 950635617 /nfs/dbraw/zinc/63/56/17/950635617.db2.gz IVLWGYSJIPDLPX-WYFGTUCQSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574516934 950635602 /nfs/dbraw/zinc/63/56/02/950635602.db2.gz IVLWGYSJIPDLPX-WYFGTUCQSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574516971 950640236 /nfs/dbraw/zinc/64/02/36/950640236.db2.gz JKTUPDLEFXSGDT-LSKIRQOJSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574516971 950640222 /nfs/dbraw/zinc/64/02/22/950640222.db2.gz JKTUPDLEFXSGDT-LSKIRQOJSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574516972 950640444 /nfs/dbraw/zinc/64/04/44/950640444.db2.gz JKTUPDLEFXSGDT-QCMRWSPLSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574516972 950640434 /nfs/dbraw/zinc/64/04/34/950640434.db2.gz JKTUPDLEFXSGDT-QCMRWSPLSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574519386 950676881 /nfs/dbraw/zinc/67/68/81/950676881.db2.gz UODJUDZMKBKPOQ-SVDPJWKOSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574519386 950676864 /nfs/dbraw/zinc/67/68/64/950676864.db2.gz UODJUDZMKBKPOQ-SVDPJWKOSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574519388 950678150 /nfs/dbraw/zinc/67/81/50/950678150.db2.gz UODJUDZMKBKPOQ-WYFGTUCQSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)NC(N)=O ZINC001574519388 950678138 /nfs/dbraw/zinc/67/81/38/950678138.db2.gz UODJUDZMKBKPOQ-WYFGTUCQSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574519435 950680610 /nfs/dbraw/zinc/68/06/10/950680610.db2.gz VTLGZEUXYLHOKQ-VLEAKVRGSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)NC(N)=O ZINC001574519436 950679950 /nfs/dbraw/zinc/67/99/50/950679950.db2.gz VTLGZEUXYLHOKQ-ZNSHCXBVSA-N -1 1 386.420 -0.671 20 0 GBADMM C[C@H](CC(=O)OC(C)(C)C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574519561 950686800 /nfs/dbraw/zinc/68/68/00/950686800.db2.gz GAPGZSBOOZBLCY-MRVPVSSYSA-N -1 1 379.377 -0.635 20 0 GBADMM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574519562 950687019 /nfs/dbraw/zinc/68/70/19/950687019.db2.gz GAPGZSBOOZBLCY-QMMMGPOBSA-N -1 1 379.377 -0.635 20 0 GBADMM C[C@H](CC(=O)OC(C)(C)C)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574520112 950711080 /nfs/dbraw/zinc/71/10/80/950711080.db2.gz MBIDPLHTFATKIQ-SECBINFHSA-N -1 1 393.404 -0.244 20 0 GBADMM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574520113 950711243 /nfs/dbraw/zinc/71/12/43/950711243.db2.gz MBIDPLHTFATKIQ-VIFPVBQESA-N -1 1 393.404 -0.244 20 0 GBADMM C[C@H](CC(=O)c1cccs1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574520176 950716505 /nfs/dbraw/zinc/71/65/05/950716505.db2.gz NHAABGOINSBZTP-MRVPVSSYSA-N -1 1 389.397 -0.032 20 0 GBADMM C[C@@H](CC(=O)c1cccs1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574520177 950715900 /nfs/dbraw/zinc/71/59/00/950715900.db2.gz NHAABGOINSBZTP-QMMMGPOBSA-N -1 1 389.397 -0.032 20 0 GBADMM C[C@H](CC(=O)c1ccco1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574520350 950724252 /nfs/dbraw/zinc/72/42/52/950724252.db2.gz QHXZKYPRPVAHCY-SECBINFHSA-N -1 1 387.356 -0.110 20 0 GBADMM C[C@@H](CC(=O)c1ccco1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574520351 950723991 /nfs/dbraw/zinc/72/39/91/950723991.db2.gz QHXZKYPRPVAHCY-VIFPVBQESA-N -1 1 387.356 -0.110 20 0 GBADMM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NC[C@@]1(CO)COC[C@@H]3CCCN31)O2 ZINC001574564640 962030369 /nfs/dbraw/zinc/03/03/69/962030369.db2.gz LKILHWLQJMAUBU-FHBYMEAFSA-N -1 1 397.472 -0.076 20 0 GBADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NC[C@@]1(CO)COC[C@@H]3CCCN31)O2 ZINC001574564643 962030837 /nfs/dbraw/zinc/03/08/37/962030837.db2.gz LKILHWLQJMAUBU-LKEFUGEBSA-N -1 1 397.472 -0.076 20 0 GBADMM O=C([O-])C1(C(=O)N2CCC(CN3CCOCC3)CC2)CCS(=O)(=O)CC1 ZINC001574625406 962270259 /nfs/dbraw/zinc/27/02/59/962270259.db2.gz SNNOLXBLPJNGSK-UHFFFAOYSA-N -1 1 388.486 -0.163 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574678342 948746685 /nfs/dbraw/zinc/74/66/85/948746685.db2.gz DIIKUDGVXALFHL-JTQLQIEISA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574678342 948746673 /nfs/dbraw/zinc/74/66/73/948746673.db2.gz DIIKUDGVXALFHL-JTQLQIEISA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574678343 948745912 /nfs/dbraw/zinc/74/59/12/948745912.db2.gz DIIKUDGVXALFHL-SNVBAGLBSA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574678343 948745904 /nfs/dbraw/zinc/74/59/04/948745904.db2.gz DIIKUDGVXALFHL-SNVBAGLBSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574678356 948748668 /nfs/dbraw/zinc/74/86/68/948748668.db2.gz DOXKEBJUKJXVPB-GXSJLCMTSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574678356 948748654 /nfs/dbraw/zinc/74/86/54/948748654.db2.gz DOXKEBJUKJXVPB-GXSJLCMTSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574678357 948750594 /nfs/dbraw/zinc/75/05/94/948750594.db2.gz DOXKEBJUKJXVPB-KOLCDFICSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574678357 948750580 /nfs/dbraw/zinc/75/05/80/948750580.db2.gz DOXKEBJUKJXVPB-KOLCDFICSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574678358 948749216 /nfs/dbraw/zinc/74/92/16/948749216.db2.gz DOXKEBJUKJXVPB-MWLCHTKSSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574678358 948749207 /nfs/dbraw/zinc/74/92/07/948749207.db2.gz DOXKEBJUKJXVPB-MWLCHTKSSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574678359 948749013 /nfs/dbraw/zinc/74/90/13/948749013.db2.gz DOXKEBJUKJXVPB-ONGXEEELSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574678359 948749004 /nfs/dbraw/zinc/74/90/04/948749004.db2.gz DOXKEBJUKJXVPB-ONGXEEELSA-N -1 1 380.434 -0.459 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574678563 948753187 /nfs/dbraw/zinc/75/31/87/948753187.db2.gz HAIPXILDDXFCGI-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574678563 948753172 /nfs/dbraw/zinc/75/31/72/948753172.db2.gz HAIPXILDDXFCGI-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574678565 948753898 /nfs/dbraw/zinc/75/38/98/948753898.db2.gz HAIPXILDDXFCGI-SNVBAGLBSA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574678565 948753890 /nfs/dbraw/zinc/75/38/90/948753890.db2.gz HAIPXILDDXFCGI-SNVBAGLBSA-N -1 1 386.424 -0.227 20 0 GBADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccn2nnnc12 ZINC001574678654 948755250 /nfs/dbraw/zinc/75/52/50/948755250.db2.gz HWSIOJMDJHRYDZ-SECBINFHSA-N -1 1 380.376 -0.285 20 0 GBADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccn2nnnc12 ZINC001574678654 948755239 /nfs/dbraw/zinc/75/52/39/948755239.db2.gz HWSIOJMDJHRYDZ-SECBINFHSA-N -1 1 380.376 -0.285 20 0 GBADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccn2nnnc12 ZINC001574678659 948757078 /nfs/dbraw/zinc/75/70/78/948757078.db2.gz HWSIOJMDJHRYDZ-VIFPVBQESA-N -1 1 380.376 -0.285 20 0 GBADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccn2nnnc12 ZINC001574678659 948757066 /nfs/dbraw/zinc/75/70/66/948757066.db2.gz HWSIOJMDJHRYDZ-VIFPVBQESA-N -1 1 380.376 -0.285 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574678866 948760886 /nfs/dbraw/zinc/76/08/86/948760886.db2.gz KPTKOOXKXLHLKX-NXEZZACHSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574678866 948760873 /nfs/dbraw/zinc/76/08/73/948760873.db2.gz KPTKOOXKXLHLKX-NXEZZACHSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574678867 948759875 /nfs/dbraw/zinc/75/98/75/948759875.db2.gz KPTKOOXKXLHLKX-UWVGGRQHSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574678867 948759859 /nfs/dbraw/zinc/75/98/59/948759859.db2.gz KPTKOOXKXLHLKX-UWVGGRQHSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001574678868 948759803 /nfs/dbraw/zinc/75/98/03/948759803.db2.gz KPTKOOXKXLHLKX-VHSXEESVSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001574678868 948759795 /nfs/dbraw/zinc/75/97/95/948759795.db2.gz KPTKOOXKXLHLKX-VHSXEESVSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574678869 948758526 /nfs/dbraw/zinc/75/85/26/948758526.db2.gz KPTKOOXKXLHLKX-ZJUUUORDSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574678869 948758518 /nfs/dbraw/zinc/75/85/18/948758518.db2.gz KPTKOOXKXLHLKX-ZJUUUORDSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574678870 948759330 /nfs/dbraw/zinc/75/93/30/948759330.db2.gz KQLVEUOSPKBMNB-NXEZZACHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574678870 948759315 /nfs/dbraw/zinc/75/93/15/948759315.db2.gz KQLVEUOSPKBMNB-NXEZZACHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574678871 948760636 /nfs/dbraw/zinc/76/06/36/948760636.db2.gz KQLVEUOSPKBMNB-UWVGGRQHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574678871 948760625 /nfs/dbraw/zinc/76/06/25/948760625.db2.gz KQLVEUOSPKBMNB-UWVGGRQHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574678872 948760729 /nfs/dbraw/zinc/76/07/29/948760729.db2.gz KQLVEUOSPKBMNB-VHSXEESVSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574678872 948760716 /nfs/dbraw/zinc/76/07/16/948760716.db2.gz KQLVEUOSPKBMNB-VHSXEESVSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574678873 948759047 /nfs/dbraw/zinc/75/90/47/948759047.db2.gz KQLVEUOSPKBMNB-ZJUUUORDSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574678873 948759033 /nfs/dbraw/zinc/75/90/33/948759033.db2.gz KQLVEUOSPKBMNB-ZJUUUORDSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001574679116 948765220 /nfs/dbraw/zinc/76/52/20/948765220.db2.gz NWHREGFVJJPQIC-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001574679116 948765213 /nfs/dbraw/zinc/76/52/13/948765213.db2.gz NWHREGFVJJPQIC-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001574679117 948766341 /nfs/dbraw/zinc/76/63/41/948766341.db2.gz NWHREGFVJJPQIC-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001574679117 948766331 /nfs/dbraw/zinc/76/63/31/948766331.db2.gz NWHREGFVJJPQIC-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001574679118 948766591 /nfs/dbraw/zinc/76/65/91/948766591.db2.gz NWHREGFVJJPQIC-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001574679118 948766580 /nfs/dbraw/zinc/76/65/80/948766580.db2.gz NWHREGFVJJPQIC-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001574679119 948768076 /nfs/dbraw/zinc/76/80/76/948768076.db2.gz NWHREGFVJJPQIC-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001574679119 948768063 /nfs/dbraw/zinc/76/80/63/948768063.db2.gz NWHREGFVJJPQIC-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001574679294 948774577 /nfs/dbraw/zinc/77/45/77/948774577.db2.gz SBNHADYRCPGWJQ-SECBINFHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001574679294 948774567 /nfs/dbraw/zinc/77/45/67/948774567.db2.gz SBNHADYRCPGWJQ-SECBINFHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001574679295 948772365 /nfs/dbraw/zinc/77/23/65/948772365.db2.gz SBNHADYRCPGWJQ-VIFPVBQESA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001574679295 948772357 /nfs/dbraw/zinc/77/23/57/948772357.db2.gz SBNHADYRCPGWJQ-VIFPVBQESA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CNC(=O)N1CCCC1 ZINC001574679324 948776979 /nfs/dbraw/zinc/77/69/79/948776979.db2.gz SRRMNUAMIPIAAU-LLVKDONJSA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CNC(=O)N1CCCC1 ZINC001574679324 948776968 /nfs/dbraw/zinc/77/69/68/948776968.db2.gz SRRMNUAMIPIAAU-LLVKDONJSA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CNC(=O)N1CCCC1 ZINC001574679325 948778494 /nfs/dbraw/zinc/77/84/94/948778494.db2.gz SRRMNUAMIPIAAU-NSHDSACASA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CNC(=O)N1CCCC1 ZINC001574679325 948778479 /nfs/dbraw/zinc/77/84/79/948778479.db2.gz SRRMNUAMIPIAAU-NSHDSACASA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COCc1ccnn1C ZINC001574679456 948780054 /nfs/dbraw/zinc/78/00/54/948780054.db2.gz VPJWXGRRRDPZNE-LLVKDONJSA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COCc1ccnn1C ZINC001574679456 948780038 /nfs/dbraw/zinc/78/00/38/948780038.db2.gz VPJWXGRRRDPZNE-LLVKDONJSA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COCc1ccnn1C ZINC001574679457 948781839 /nfs/dbraw/zinc/78/18/39/948781839.db2.gz VPJWXGRRRDPZNE-NSHDSACASA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COCc1ccnn1C ZINC001574679457 948781826 /nfs/dbraw/zinc/78/18/26/948781826.db2.gz VPJWXGRRRDPZNE-NSHDSACASA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCS(C)(=O)=O ZINC001574680118 948798645 /nfs/dbraw/zinc/79/86/45/948798645.db2.gz DURSVDQTFYDXOW-JTQLQIEISA-N -1 1 382.450 -0.212 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCS(C)(=O)=O ZINC001574680118 948798637 /nfs/dbraw/zinc/79/86/37/948798637.db2.gz DURSVDQTFYDXOW-JTQLQIEISA-N -1 1 382.450 -0.212 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCS(C)(=O)=O ZINC001574680119 948798890 /nfs/dbraw/zinc/79/88/90/948798890.db2.gz DURSVDQTFYDXOW-SNVBAGLBSA-N -1 1 382.450 -0.212 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCS(C)(=O)=O ZINC001574680119 948798878 /nfs/dbraw/zinc/79/88/78/948798878.db2.gz DURSVDQTFYDXOW-SNVBAGLBSA-N -1 1 382.450 -0.212 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1nccn1C ZINC001574680531 948808498 /nfs/dbraw/zinc/80/84/98/948808498.db2.gz HZWLFUFEDMBIJP-LLVKDONJSA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1nccn1C ZINC001574680531 948808488 /nfs/dbraw/zinc/80/84/88/948808488.db2.gz HZWLFUFEDMBIJP-LLVKDONJSA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1nccn1C ZINC001574680534 948809879 /nfs/dbraw/zinc/80/98/79/948809879.db2.gz HZWLFUFEDMBIJP-NSHDSACASA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1nccn1C ZINC001574680534 948809860 /nfs/dbraw/zinc/80/98/60/948809860.db2.gz HZWLFUFEDMBIJP-NSHDSACASA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1ccnn1C ZINC001574680535 948807054 /nfs/dbraw/zinc/80/70/54/948807054.db2.gz HZZXFFZLYIMGRI-LLVKDONJSA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1ccnn1C ZINC001574680535 948807035 /nfs/dbraw/zinc/80/70/35/948807035.db2.gz HZZXFFZLYIMGRI-LLVKDONJSA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1ccnn1C ZINC001574680536 948810625 /nfs/dbraw/zinc/81/06/25/948810625.db2.gz HZZXFFZLYIMGRI-NSHDSACASA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1ccnn1C ZINC001574680536 948810605 /nfs/dbraw/zinc/81/06/05/948810605.db2.gz HZZXFFZLYIMGRI-NSHDSACASA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001574680804 948809591 /nfs/dbraw/zinc/80/95/91/948809591.db2.gz IJHVNPJWNOWKTI-GHMZBOCLSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001574680804 948809573 /nfs/dbraw/zinc/80/95/73/948809573.db2.gz IJHVNPJWNOWKTI-GHMZBOCLSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001574680807 948807429 /nfs/dbraw/zinc/80/74/29/948807429.db2.gz IJHVNPJWNOWKTI-MNOVXSKESA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001574680807 948807408 /nfs/dbraw/zinc/80/74/08/948807408.db2.gz IJHVNPJWNOWKTI-MNOVXSKESA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001574680809 948810848 /nfs/dbraw/zinc/81/08/48/948810848.db2.gz IJHVNPJWNOWKTI-QWRGUYRKSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001574680809 948810832 /nfs/dbraw/zinc/81/08/32/948810832.db2.gz IJHVNPJWNOWKTI-QWRGUYRKSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001574680811 948809537 /nfs/dbraw/zinc/80/95/37/948809537.db2.gz IJHVNPJWNOWKTI-WDEREUQCSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001574680811 948809520 /nfs/dbraw/zinc/80/95/20/948809520.db2.gz IJHVNPJWNOWKTI-WDEREUQCSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574680883 948807717 /nfs/dbraw/zinc/80/77/17/948807717.db2.gz JORZQZKVUOLUGY-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574680883 948807703 /nfs/dbraw/zinc/80/77/03/948807703.db2.gz JORZQZKVUOLUGY-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574680885 948807364 /nfs/dbraw/zinc/80/73/64/948807364.db2.gz JORZQZKVUOLUGY-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574680885 948807352 /nfs/dbraw/zinc/80/73/52/948807352.db2.gz JORZQZKVUOLUGY-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574681310 948814480 /nfs/dbraw/zinc/81/44/80/948814480.db2.gz LGHULKWCZLVWBF-JTQLQIEISA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574681310 948814465 /nfs/dbraw/zinc/81/44/65/948814465.db2.gz LGHULKWCZLVWBF-JTQLQIEISA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574681311 948815835 /nfs/dbraw/zinc/81/58/35/948815835.db2.gz LGHULKWCZLVWBF-SNVBAGLBSA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574681311 948815813 /nfs/dbraw/zinc/81/58/13/948815813.db2.gz LGHULKWCZLVWBF-SNVBAGLBSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1nncn1C ZINC001574681726 948823152 /nfs/dbraw/zinc/82/31/52/948823152.db2.gz NIAPDBDIGYJPFZ-JTQLQIEISA-N -1 1 387.408 -0.691 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1nncn1C ZINC001574681726 948823135 /nfs/dbraw/zinc/82/31/35/948823135.db2.gz NIAPDBDIGYJPFZ-JTQLQIEISA-N -1 1 387.408 -0.691 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1nncn1C ZINC001574681727 948822120 /nfs/dbraw/zinc/82/21/20/948822120.db2.gz NIAPDBDIGYJPFZ-SNVBAGLBSA-N -1 1 387.408 -0.691 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1nncn1C ZINC001574681727 948822108 /nfs/dbraw/zinc/82/21/08/948822108.db2.gz NIAPDBDIGYJPFZ-SNVBAGLBSA-N -1 1 387.408 -0.691 20 0 GBADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)N1CCCC1 ZINC001574683058 948837825 /nfs/dbraw/zinc/83/78/25/948837825.db2.gz SRSWXKCWDUNPGO-LLVKDONJSA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)N1CCCC1 ZINC001574683058 948837803 /nfs/dbraw/zinc/83/78/03/948837803.db2.gz SRSWXKCWDUNPGO-LLVKDONJSA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)N1CCCC1 ZINC001574683059 948835697 /nfs/dbraw/zinc/83/56/97/948835697.db2.gz SRSWXKCWDUNPGO-NSHDSACASA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)N1CCCC1 ZINC001574683059 948835680 /nfs/dbraw/zinc/83/56/80/948835680.db2.gz SRSWXKCWDUNPGO-NSHDSACASA-N -1 1 388.436 -0.231 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574683078 948834922 /nfs/dbraw/zinc/83/49/22/948834922.db2.gz UGOQGWDUQQZAFI-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574683078 948834904 /nfs/dbraw/zinc/83/49/04/948834904.db2.gz UGOQGWDUQQZAFI-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574683079 948835853 /nfs/dbraw/zinc/83/58/53/948835853.db2.gz UGOQGWDUQQZAFI-SNVBAGLBSA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574683079 948835834 /nfs/dbraw/zinc/83/58/34/948835834.db2.gz UGOQGWDUQQZAFI-SNVBAGLBSA-N -1 1 386.424 -0.227 20 0 GBADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1ncnn1 ZINC001574684395 948862564 /nfs/dbraw/zinc/86/25/64/948862564.db2.gz FMAUXBXQZOUYRA-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1ncnn1 ZINC001574684395 948862545 /nfs/dbraw/zinc/86/25/45/948862545.db2.gz FMAUXBXQZOUYRA-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1ncnn1 ZINC001574684396 948862787 /nfs/dbraw/zinc/86/27/87/948862787.db2.gz FMAUXBXQZOUYRA-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1ncnn1 ZINC001574684396 948862765 /nfs/dbraw/zinc/86/27/65/948862765.db2.gz FMAUXBXQZOUYRA-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cn1ncnn1 ZINC001574684638 948879693 /nfs/dbraw/zinc/87/96/93/948879693.db2.gz JOLCTDCSBRGHFM-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cn1ncnn1 ZINC001574684639 948877216 /nfs/dbraw/zinc/87/72/16/948877216.db2.gz JOLCTDCSBRGHFM-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1cnnn1 ZINC001574684780 948889120 /nfs/dbraw/zinc/88/91/20/948889120.db2.gz MOXQJAYOOLIRMN-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1cnnn1 ZINC001574684780 948889107 /nfs/dbraw/zinc/88/91/07/948889107.db2.gz MOXQJAYOOLIRMN-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1cnnn1 ZINC001574684781 948886710 /nfs/dbraw/zinc/88/67/10/948886710.db2.gz MOXQJAYOOLIRMN-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1cnnn1 ZINC001574684781 948886699 /nfs/dbraw/zinc/88/66/99/948886699.db2.gz MOXQJAYOOLIRMN-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cn1cnnn1 ZINC001574684818 948885611 /nfs/dbraw/zinc/88/56/11/948885611.db2.gz NEJHMDJZQMVUGW-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cn1cnnn1 ZINC001574684819 948888767 /nfs/dbraw/zinc/88/87/67/948888767.db2.gz NEJHMDJZQMVUGW-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685216 948904217 /nfs/dbraw/zinc/90/42/17/948904217.db2.gz SZBDFBJWFLYLII-NTSWFWBYSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685216 948904211 /nfs/dbraw/zinc/90/42/11/948904211.db2.gz SZBDFBJWFLYLII-NTSWFWBYSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685217 948903367 /nfs/dbraw/zinc/90/33/67/948903367.db2.gz SZBDFBJWFLYLII-PHDIDXHHSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685217 948903355 /nfs/dbraw/zinc/90/33/55/948903355.db2.gz SZBDFBJWFLYLII-PHDIDXHHSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685218 948904373 /nfs/dbraw/zinc/90/43/73/948904373.db2.gz SZBDFBJWFLYLII-RITPCOANSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685218 948904364 /nfs/dbraw/zinc/90/43/64/948904364.db2.gz SZBDFBJWFLYLII-RITPCOANSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685219 948904691 /nfs/dbraw/zinc/90/46/91/948904691.db2.gz SZBDFBJWFLYLII-WDSKDSINSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685219 948904670 /nfs/dbraw/zinc/90/46/70/948904670.db2.gz SZBDFBJWFLYLII-WDSKDSINSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685590 948912107 /nfs/dbraw/zinc/91/21/07/948912107.db2.gz XLZMVSORTMGYBG-NTSWFWBYSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685591 948910604 /nfs/dbraw/zinc/91/06/04/948910604.db2.gz XLZMVSORTMGYBG-PHDIDXHHSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685592 948909619 /nfs/dbraw/zinc/90/96/19/948909619.db2.gz XLZMVSORTMGYBG-RITPCOANSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685593 948910480 /nfs/dbraw/zinc/91/04/80/948910480.db2.gz XLZMVSORTMGYBG-WDSKDSINSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574688857 948972969 /nfs/dbraw/zinc/97/29/69/948972969.db2.gz AQUMMTHUINYKIA-NXEZZACHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574688857 948972958 /nfs/dbraw/zinc/97/29/58/948972958.db2.gz AQUMMTHUINYKIA-NXEZZACHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574688858 948973550 /nfs/dbraw/zinc/97/35/50/948973550.db2.gz AQUMMTHUINYKIA-UWVGGRQHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574688858 948973546 /nfs/dbraw/zinc/97/35/46/948973546.db2.gz AQUMMTHUINYKIA-UWVGGRQHSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574688859 948974284 /nfs/dbraw/zinc/97/42/84/948974284.db2.gz AQUMMTHUINYKIA-VHSXEESVSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574688859 948974270 /nfs/dbraw/zinc/97/42/70/948974270.db2.gz AQUMMTHUINYKIA-VHSXEESVSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574688860 948974890 /nfs/dbraw/zinc/97/48/90/948974890.db2.gz AQUMMTHUINYKIA-ZJUUUORDSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574688860 948974876 /nfs/dbraw/zinc/97/48/76/948974876.db2.gz AQUMMTHUINYKIA-ZJUUUORDSA-N -1 1 380.434 -0.459 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001574690900 949006169 /nfs/dbraw/zinc/00/61/69/949006169.db2.gz RQOGUHNIFHPZMW-GHMZBOCLSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001574690900 949006149 /nfs/dbraw/zinc/00/61/49/949006149.db2.gz RQOGUHNIFHPZMW-GHMZBOCLSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001574690901 949007844 /nfs/dbraw/zinc/00/78/44/949007844.db2.gz RQOGUHNIFHPZMW-MNOVXSKESA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001574690901 949007827 /nfs/dbraw/zinc/00/78/27/949007827.db2.gz RQOGUHNIFHPZMW-MNOVXSKESA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001574690902 949008936 /nfs/dbraw/zinc/00/89/36/949008936.db2.gz RQOGUHNIFHPZMW-QWRGUYRKSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001574690902 949008917 /nfs/dbraw/zinc/00/89/17/949008917.db2.gz RQOGUHNIFHPZMW-QWRGUYRKSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001574690903 949008587 /nfs/dbraw/zinc/00/85/87/949008587.db2.gz RQOGUHNIFHPZMW-WDEREUQCSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001574690903 949008571 /nfs/dbraw/zinc/00/85/71/949008571.db2.gz RQOGUHNIFHPZMW-WDEREUQCSA-N -1 1 383.420 -0.183 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001574690909 949004696 /nfs/dbraw/zinc/00/46/96/949004696.db2.gz RRLZEHGSGQCRCM-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001574690909 949004611 /nfs/dbraw/zinc/00/46/11/949004611.db2.gz RRLZEHGSGQCRCM-GHMZBOCLSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001574690914 949005058 /nfs/dbraw/zinc/00/50/58/949005058.db2.gz RRLZEHGSGQCRCM-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001574690914 949005048 /nfs/dbraw/zinc/00/50/48/949005048.db2.gz RRLZEHGSGQCRCM-MNOVXSKESA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001574690921 949013276 /nfs/dbraw/zinc/01/32/76/949013276.db2.gz RRLZEHGSGQCRCM-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001574690921 949013261 /nfs/dbraw/zinc/01/32/61/949013261.db2.gz RRLZEHGSGQCRCM-QWRGUYRKSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001574690928 949011018 /nfs/dbraw/zinc/01/10/18/949011018.db2.gz RRLZEHGSGQCRCM-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001574690928 949010965 /nfs/dbraw/zinc/01/09/65/949010965.db2.gz RRLZEHGSGQCRCM-WDEREUQCSA-N -1 1 388.436 -0.103 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574691096 949018330 /nfs/dbraw/zinc/01/83/30/949018330.db2.gz UGTWJKCZHHAYCS-NXEZZACHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574691096 949018306 /nfs/dbraw/zinc/01/83/06/949018306.db2.gz UGTWJKCZHHAYCS-NXEZZACHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574691097 949017986 /nfs/dbraw/zinc/01/79/86/949017986.db2.gz UGTWJKCZHHAYCS-UWVGGRQHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574691097 949017966 /nfs/dbraw/zinc/01/79/66/949017966.db2.gz UGTWJKCZHHAYCS-UWVGGRQHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574691225 949015989 /nfs/dbraw/zinc/01/59/89/949015989.db2.gz UGTWJKCZHHAYCS-VHSXEESVSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574691225 949015972 /nfs/dbraw/zinc/01/59/72/949015972.db2.gz UGTWJKCZHHAYCS-VHSXEESVSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574691226 949015347 /nfs/dbraw/zinc/01/53/47/949015347.db2.gz UGTWJKCZHHAYCS-ZJUUUORDSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574691226 949015326 /nfs/dbraw/zinc/01/53/26/949015326.db2.gz UGTWJKCZHHAYCS-ZJUUUORDSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574691404 949021055 /nfs/dbraw/zinc/02/10/55/949021055.db2.gz XIQIQBBKOBSNTM-NXEZZACHSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574691404 949021038 /nfs/dbraw/zinc/02/10/38/949021038.db2.gz XIQIQBBKOBSNTM-NXEZZACHSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574691405 949023546 /nfs/dbraw/zinc/02/35/46/949023546.db2.gz XIQIQBBKOBSNTM-UWVGGRQHSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574691405 949023531 /nfs/dbraw/zinc/02/35/31/949023531.db2.gz XIQIQBBKOBSNTM-UWVGGRQHSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001574691406 949022353 /nfs/dbraw/zinc/02/23/53/949022353.db2.gz XIQIQBBKOBSNTM-VHSXEESVSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001574691406 949022333 /nfs/dbraw/zinc/02/23/33/949022333.db2.gz XIQIQBBKOBSNTM-VHSXEESVSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574691407 949022284 /nfs/dbraw/zinc/02/22/84/949022284.db2.gz XIQIQBBKOBSNTM-ZJUUUORDSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574691407 949022264 /nfs/dbraw/zinc/02/22/64/949022264.db2.gz XIQIQBBKOBSNTM-ZJUUUORDSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574692707 949037441 /nfs/dbraw/zinc/03/74/41/949037441.db2.gz AUSNFDMZHBXOID-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574692707 949037423 /nfs/dbraw/zinc/03/74/23/949037423.db2.gz AUSNFDMZHBXOID-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574692709 949037276 /nfs/dbraw/zinc/03/72/76/949037276.db2.gz AUSNFDMZHBXOID-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574692709 949037255 /nfs/dbraw/zinc/03/72/55/949037255.db2.gz AUSNFDMZHBXOID-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692739 949040163 /nfs/dbraw/zinc/04/01/63/949040163.db2.gz BHFIZUJWDYJBSA-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692739 949040145 /nfs/dbraw/zinc/04/01/45/949040145.db2.gz BHFIZUJWDYJBSA-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692741 949043354 /nfs/dbraw/zinc/04/33/54/949043354.db2.gz BHFIZUJWDYJBSA-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692741 949043335 /nfs/dbraw/zinc/04/33/35/949043335.db2.gz BHFIZUJWDYJBSA-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574693151 949049560 /nfs/dbraw/zinc/04/95/60/949049560.db2.gz BAXMYNWUGAOSIU-JTQLQIEISA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574693151 949049539 /nfs/dbraw/zinc/04/95/39/949049539.db2.gz BAXMYNWUGAOSIU-JTQLQIEISA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574693152 949052027 /nfs/dbraw/zinc/05/20/27/949052027.db2.gz BAXMYNWUGAOSIU-SNVBAGLBSA-N -1 1 382.450 -0.213 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574693152 949052003 /nfs/dbraw/zinc/05/20/03/949052003.db2.gz BAXMYNWUGAOSIU-SNVBAGLBSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](CCO)C1(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC1 ZINC001574693821 949063827 /nfs/dbraw/zinc/06/38/27/949063827.db2.gz JZSMNMJXGHELNO-LLVKDONJSA-N -1 1 391.432 -0.176 20 0 GBADMM C[C@@H](CCO)C1(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC1 ZINC001574693822 949065310 /nfs/dbraw/zinc/06/53/10/949065310.db2.gz JZSMNMJXGHELNO-NSHDSACASA-N -1 1 391.432 -0.176 20 0 GBADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574694092 949063201 /nfs/dbraw/zinc/06/32/01/949063201.db2.gz KRWMBZPOVHHBIH-GFCCVEGCSA-N -1 1 389.464 -0.552 20 0 GBADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574694093 949062626 /nfs/dbraw/zinc/06/26/26/949062626.db2.gz KRWMBZPOVHHBIH-LBPRGKRZSA-N -1 1 389.464 -0.552 20 0 GBADMM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694692 949090332 /nfs/dbraw/zinc/09/03/32/949090332.db2.gz UQDPFYPIWIXDCL-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694692 949090313 /nfs/dbraw/zinc/09/03/13/949090313.db2.gz UQDPFYPIWIXDCL-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694693 949091801 /nfs/dbraw/zinc/09/18/01/949091801.db2.gz UQDPFYPIWIXDCL-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694693 949091781 /nfs/dbraw/zinc/09/17/81/949091781.db2.gz UQDPFYPIWIXDCL-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574695109 949100940 /nfs/dbraw/zinc/10/09/40/949100940.db2.gz ZJRLYVYZQVVKOL-SECBINFHSA-N -1 1 382.450 -0.839 20 0 GBADMM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574695111 949101022 /nfs/dbraw/zinc/10/10/22/949101022.db2.gz ZJRLYVYZQVVKOL-VIFPVBQESA-N -1 1 382.450 -0.839 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574695210 949104478 /nfs/dbraw/zinc/10/44/78/949104478.db2.gz FCBRDVQLCVUXGN-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574695210 949104462 /nfs/dbraw/zinc/10/44/62/949104462.db2.gz FCBRDVQLCVUXGN-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574695211 949103345 /nfs/dbraw/zinc/10/33/45/949103345.db2.gz FCBRDVQLCVUXGN-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574695211 949103336 /nfs/dbraw/zinc/10/33/36/949103336.db2.gz FCBRDVQLCVUXGN-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cnccc1=O ZINC001574695883 949120097 /nfs/dbraw/zinc/12/00/97/949120097.db2.gz KPCVYODTXJDSSP-LLVKDONJSA-N -1 1 384.404 -0.390 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cnccc1=O ZINC001574695883 949120079 /nfs/dbraw/zinc/12/00/79/949120079.db2.gz KPCVYODTXJDSSP-LLVKDONJSA-N -1 1 384.404 -0.390 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cnccc1=O ZINC001574695888 949121864 /nfs/dbraw/zinc/12/18/64/949121864.db2.gz KPCVYODTXJDSSP-NSHDSACASA-N -1 1 384.404 -0.390 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cnccc1=O ZINC001574695888 949121850 /nfs/dbraw/zinc/12/18/50/949121850.db2.gz KPCVYODTXJDSSP-NSHDSACASA-N -1 1 384.404 -0.390 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCS(C)(=O)=O ZINC001574696414 949130447 /nfs/dbraw/zinc/13/04/47/949130447.db2.gz QADFJIHUBQDDRX-JTQLQIEISA-N -1 1 382.450 -0.212 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCS(C)(=O)=O ZINC001574696414 949130436 /nfs/dbraw/zinc/13/04/36/949130436.db2.gz QADFJIHUBQDDRX-JTQLQIEISA-N -1 1 382.450 -0.212 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCS(C)(=O)=O ZINC001574696415 949129358 /nfs/dbraw/zinc/12/93/58/949129358.db2.gz QADFJIHUBQDDRX-SNVBAGLBSA-N -1 1 382.450 -0.212 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCS(C)(=O)=O ZINC001574696415 949129328 /nfs/dbraw/zinc/12/93/28/949129328.db2.gz QADFJIHUBQDDRX-SNVBAGLBSA-N -1 1 382.450 -0.212 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CNC(=O)N1CCCC1 ZINC001574696430 949131536 /nfs/dbraw/zinc/13/15/36/949131536.db2.gz QLMJRDMFERDRAY-LLVKDONJSA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CNC(=O)N1CCCC1 ZINC001574696430 949131521 /nfs/dbraw/zinc/13/15/21/949131521.db2.gz QLMJRDMFERDRAY-LLVKDONJSA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CNC(=O)N1CCCC1 ZINC001574696431 949135488 /nfs/dbraw/zinc/13/54/88/949135488.db2.gz QLMJRDMFERDRAY-NSHDSACASA-N -1 1 388.436 -0.231 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CNC(=O)N1CCCC1 ZINC001574696431 949135481 /nfs/dbraw/zinc/13/54/81/949135481.db2.gz QLMJRDMFERDRAY-NSHDSACASA-N -1 1 388.436 -0.231 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696644 949139137 /nfs/dbraw/zinc/13/91/37/949139137.db2.gz SXDRHEGYROWEPB-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696644 949139122 /nfs/dbraw/zinc/13/91/22/949139122.db2.gz SXDRHEGYROWEPB-JTQLQIEISA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696645 949139612 /nfs/dbraw/zinc/13/96/12/949139612.db2.gz SXDRHEGYROWEPB-SNVBAGLBSA-N -1 1 386.424 -0.227 20 0 GBADMM CC(C)c1nnnn1CC(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696645 949139607 /nfs/dbraw/zinc/13/96/07/949139607.db2.gz SXDRHEGYROWEPB-SNVBAGLBSA-N -1 1 386.424 -0.227 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COCc1ccnn1C ZINC001574696842 949140929 /nfs/dbraw/zinc/14/09/29/949140929.db2.gz VQCIIVBLTWJEJW-LLVKDONJSA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COCc1ccnn1C ZINC001574696842 949140915 /nfs/dbraw/zinc/14/09/15/949140915.db2.gz VQCIIVBLTWJEJW-LLVKDONJSA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COCc1ccnn1C ZINC001574696843 949141277 /nfs/dbraw/zinc/14/12/77/949141277.db2.gz VQCIIVBLTWJEJW-NSHDSACASA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COCc1ccnn1C ZINC001574696843 949141264 /nfs/dbraw/zinc/14/12/64/949141264.db2.gz VQCIIVBLTWJEJW-NSHDSACASA-N -1 1 386.420 -0.086 20 0 GBADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574697028 949147393 /nfs/dbraw/zinc/14/73/93/949147393.db2.gz XMVNATOBAPKIQP-NTSWFWBYSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574697028 949147377 /nfs/dbraw/zinc/14/73/77/949147377.db2.gz XMVNATOBAPKIQP-NTSWFWBYSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574697031 949148040 /nfs/dbraw/zinc/14/80/40/949148040.db2.gz XMVNATOBAPKIQP-PHDIDXHHSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574697031 949148019 /nfs/dbraw/zinc/14/80/19/949148019.db2.gz XMVNATOBAPKIQP-PHDIDXHHSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574697032 949147516 /nfs/dbraw/zinc/14/75/16/949147516.db2.gz XMVNATOBAPKIQP-RITPCOANSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574697032 949147505 /nfs/dbraw/zinc/14/75/05/949147505.db2.gz XMVNATOBAPKIQP-RITPCOANSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574697033 949148263 /nfs/dbraw/zinc/14/82/63/949148263.db2.gz XMVNATOBAPKIQP-WDSKDSINSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574697033 949148249 /nfs/dbraw/zinc/14/82/49/949148249.db2.gz XMVNATOBAPKIQP-WDSKDSINSA-N -1 1 385.841 -0.035 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COCc1nncn1C ZINC001574697074 949151937 /nfs/dbraw/zinc/15/19/37/949151937.db2.gz YHPGWGBMPGIBJN-JTQLQIEISA-N -1 1 387.408 -0.691 20 0 GBADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COCc1nncn1C ZINC001574697074 949151922 /nfs/dbraw/zinc/15/19/22/949151922.db2.gz YHPGWGBMPGIBJN-JTQLQIEISA-N -1 1 387.408 -0.691 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COCc1nncn1C ZINC001574697076 949152188 /nfs/dbraw/zinc/15/21/88/949152188.db2.gz YHPGWGBMPGIBJN-SNVBAGLBSA-N -1 1 387.408 -0.691 20 0 GBADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COCc1nncn1C ZINC001574697076 949152173 /nfs/dbraw/zinc/15/21/73/949152173.db2.gz YHPGWGBMPGIBJN-SNVBAGLBSA-N -1 1 387.408 -0.691 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574697802 949163427 /nfs/dbraw/zinc/16/34/27/949163427.db2.gz CCRCPCDBXCIWBF-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574697802 949163417 /nfs/dbraw/zinc/16/34/17/949163417.db2.gz CCRCPCDBXCIWBF-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574697805 949162279 /nfs/dbraw/zinc/16/22/79/949162279.db2.gz CCRCPCDBXCIWBF-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574697805 949162264 /nfs/dbraw/zinc/16/22/64/949162264.db2.gz CCRCPCDBXCIWBF-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574697807 949163265 /nfs/dbraw/zinc/16/32/65/949163265.db2.gz CCRCPCDBXCIWBF-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574697807 949163259 /nfs/dbraw/zinc/16/32/59/949163259.db2.gz CCRCPCDBXCIWBF-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574697808 949165481 /nfs/dbraw/zinc/16/54/81/949165481.db2.gz CCRCPCDBXCIWBF-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574697808 949165475 /nfs/dbraw/zinc/16/54/75/949165475.db2.gz CCRCPCDBXCIWBF-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698231 949181544 /nfs/dbraw/zinc/18/15/44/949181544.db2.gz HLUHXTYFIYMLOK-NEPJUHHUSA-N -1 1 384.448 -0.050 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698232 949183464 /nfs/dbraw/zinc/18/34/64/949183464.db2.gz HLUHXTYFIYMLOK-NWDGAFQWSA-N -1 1 384.448 -0.050 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698233 949181291 /nfs/dbraw/zinc/18/12/91/949181291.db2.gz HLUHXTYFIYMLOK-RYUDHWBXSA-N -1 1 384.448 -0.050 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698234 949182899 /nfs/dbraw/zinc/18/28/99/949182899.db2.gz HLUHXTYFIYMLOK-VXGBXAGGSA-N -1 1 384.448 -0.050 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698477 949194406 /nfs/dbraw/zinc/19/44/06/949194406.db2.gz LKIHMFMHTPNQDT-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698477 949194396 /nfs/dbraw/zinc/19/43/96/949194396.db2.gz LKIHMFMHTPNQDT-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698478 949195942 /nfs/dbraw/zinc/19/59/42/949195942.db2.gz LKIHMFMHTPNQDT-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698478 949195926 /nfs/dbraw/zinc/19/59/26/949195926.db2.gz LKIHMFMHTPNQDT-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698479 949195628 /nfs/dbraw/zinc/19/56/28/949195628.db2.gz LKIHMFMHTPNQDT-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698479 949195612 /nfs/dbraw/zinc/19/56/12/949195612.db2.gz LKIHMFMHTPNQDT-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698480 949194543 /nfs/dbraw/zinc/19/45/43/949194543.db2.gz LKIHMFMHTPNQDT-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698480 949194531 /nfs/dbraw/zinc/19/45/31/949194531.db2.gz LKIHMFMHTPNQDT-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574698541 949195100 /nfs/dbraw/zinc/19/51/00/949195100.db2.gz MJEUUHNBKXCBBU-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574698541 949195085 /nfs/dbraw/zinc/19/50/85/949195085.db2.gz MJEUUHNBKXCBBU-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574698542 949196460 /nfs/dbraw/zinc/19/64/60/949196460.db2.gz MJEUUHNBKXCBBU-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574698542 949196446 /nfs/dbraw/zinc/19/64/46/949196446.db2.gz MJEUUHNBKXCBBU-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574698543 949198446 /nfs/dbraw/zinc/19/84/46/949198446.db2.gz MJEUUHNBKXCBBU-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574698543 949198435 /nfs/dbraw/zinc/19/84/35/949198435.db2.gz MJEUUHNBKXCBBU-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574698544 949198306 /nfs/dbraw/zinc/19/83/06/949198306.db2.gz MJEUUHNBKXCBBU-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574698544 949198290 /nfs/dbraw/zinc/19/82/90/949198290.db2.gz MJEUUHNBKXCBBU-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699003 949221040 /nfs/dbraw/zinc/22/10/40/949221040.db2.gz RBSPKCWKZAALPO-GHMZBOCLSA-N -1 1 389.464 -0.112 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699004 949225725 /nfs/dbraw/zinc/22/57/25/949225725.db2.gz RBSPKCWKZAALPO-MNOVXSKESA-N -1 1 389.464 -0.112 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699005 949225911 /nfs/dbraw/zinc/22/59/11/949225911.db2.gz RBSPKCWKZAALPO-QWRGUYRKSA-N -1 1 389.464 -0.112 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699006 949223525 /nfs/dbraw/zinc/22/35/25/949223525.db2.gz RBSPKCWKZAALPO-WDEREUQCSA-N -1 1 389.464 -0.112 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574699765 949244160 /nfs/dbraw/zinc/24/41/60/949244160.db2.gz WOYMFELKMARBTB-NXEZZACHSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574699765 949244145 /nfs/dbraw/zinc/24/41/45/949244145.db2.gz WOYMFELKMARBTB-NXEZZACHSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)N1C(=O)CCC1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574699766 949244664 /nfs/dbraw/zinc/24/46/64/949244664.db2.gz WOYMFELKMARBTB-UWVGGRQHSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)N1C(=O)CCC1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574699766 949244648 /nfs/dbraw/zinc/24/46/48/949244648.db2.gz WOYMFELKMARBTB-UWVGGRQHSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)N1C(=O)CCC1=O ZINC001574699767 949243224 /nfs/dbraw/zinc/24/32/24/949243224.db2.gz WOYMFELKMARBTB-VHSXEESVSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)N1C(=O)CCC1=O ZINC001574699767 949243204 /nfs/dbraw/zinc/24/32/04/949243204.db2.gz WOYMFELKMARBTB-VHSXEESVSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)N1C(=O)CCC1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574699768 949246116 /nfs/dbraw/zinc/24/61/16/949246116.db2.gz WOYMFELKMARBTB-ZJUUUORDSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)N1C(=O)CCC1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574699768 949246097 /nfs/dbraw/zinc/24/60/97/949246097.db2.gz WOYMFELKMARBTB-ZJUUUORDSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699964 949251135 /nfs/dbraw/zinc/25/11/35/949251135.db2.gz XEWVIQYZLXPEEW-NXEZZACHSA-N -1 1 382.450 -0.982 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699965 949249964 /nfs/dbraw/zinc/24/99/64/949249964.db2.gz XEWVIQYZLXPEEW-UWVGGRQHSA-N -1 1 382.450 -0.982 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699966 949250213 /nfs/dbraw/zinc/25/02/13/949250213.db2.gz XEWVIQYZLXPEEW-VHSXEESVSA-N -1 1 382.450 -0.982 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699967 949248085 /nfs/dbraw/zinc/24/80/85/949248085.db2.gz XEWVIQYZLXPEEW-ZJUUUORDSA-N -1 1 382.450 -0.982 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574700336 949260810 /nfs/dbraw/zinc/26/08/10/949260810.db2.gz ZQXIVRQFMXIOFM-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574700336 949260790 /nfs/dbraw/zinc/26/07/90/949260790.db2.gz ZQXIVRQFMXIOFM-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574700337 949260079 /nfs/dbraw/zinc/26/00/79/949260079.db2.gz ZQXIVRQFMXIOFM-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574700337 949260057 /nfs/dbraw/zinc/26/00/57/949260057.db2.gz ZQXIVRQFMXIOFM-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574700338 949258698 /nfs/dbraw/zinc/25/86/98/949258698.db2.gz ZQXIVRQFMXIOFM-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574700338 949258685 /nfs/dbraw/zinc/25/86/85/949258685.db2.gz ZQXIVRQFMXIOFM-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574700339 949260431 /nfs/dbraw/zinc/26/04/31/949260431.db2.gz ZQXIVRQFMXIOFM-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574700339 949260411 /nfs/dbraw/zinc/26/04/11/949260411.db2.gz ZQXIVRQFMXIOFM-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574702666 949290541 /nfs/dbraw/zinc/29/05/41/949290541.db2.gz KCTLMDVZJUBUPU-GXSJLCMTSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574702666 949290525 /nfs/dbraw/zinc/29/05/25/949290525.db2.gz KCTLMDVZJUBUPU-GXSJLCMTSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574702667 949287120 /nfs/dbraw/zinc/28/71/20/949287120.db2.gz KCTLMDVZJUBUPU-KOLCDFICSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574702667 949287104 /nfs/dbraw/zinc/28/71/04/949287104.db2.gz KCTLMDVZJUBUPU-KOLCDFICSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574702668 949289377 /nfs/dbraw/zinc/28/93/77/949289377.db2.gz KCTLMDVZJUBUPU-MWLCHTKSSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574702668 949289356 /nfs/dbraw/zinc/28/93/56/949289356.db2.gz KCTLMDVZJUBUPU-MWLCHTKSSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574702670 949288110 /nfs/dbraw/zinc/28/81/10/949288110.db2.gz KCTLMDVZJUBUPU-ONGXEEELSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574702670 949288085 /nfs/dbraw/zinc/28/80/85/949288085.db2.gz KCTLMDVZJUBUPU-ONGXEEELSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702793 949294089 /nfs/dbraw/zinc/29/40/89/949294089.db2.gz MCCCHXQHPFUUEL-GXSJLCMTSA-N -1 1 390.452 -0.580 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702794 949292811 /nfs/dbraw/zinc/29/28/11/949292811.db2.gz MCCCHXQHPFUUEL-KOLCDFICSA-N -1 1 390.452 -0.580 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702795 949294498 /nfs/dbraw/zinc/29/44/98/949294498.db2.gz MCCCHXQHPFUUEL-MWLCHTKSSA-N -1 1 390.452 -0.580 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702796 949294631 /nfs/dbraw/zinc/29/46/31/949294631.db2.gz MCCCHXQHPFUUEL-ONGXEEELSA-N -1 1 390.452 -0.580 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703723 949348908 /nfs/dbraw/zinc/34/89/08/949348908.db2.gz XFWFWQRARRTRQI-BXKDBHETSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703723 949348888 /nfs/dbraw/zinc/34/88/88/949348888.db2.gz XFWFWQRARRTRQI-BXKDBHETSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703724 949345960 /nfs/dbraw/zinc/34/59/60/949345960.db2.gz XFWFWQRARRTRQI-CABZTGNLSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703724 949345941 /nfs/dbraw/zinc/34/59/41/949345941.db2.gz XFWFWQRARRTRQI-CABZTGNLSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703725 949348022 /nfs/dbraw/zinc/34/80/22/949348022.db2.gz XFWFWQRARRTRQI-JOYOIKCWSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703725 949347998 /nfs/dbraw/zinc/34/79/98/949347998.db2.gz XFWFWQRARRTRQI-JOYOIKCWSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703726 949348849 /nfs/dbraw/zinc/34/88/49/949348849.db2.gz XFWFWQRARRTRQI-SKDRFNHKSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703726 949348830 /nfs/dbraw/zinc/34/88/30/949348830.db2.gz XFWFWQRARRTRQI-SKDRFNHKSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703803 949349787 /nfs/dbraw/zinc/34/97/87/949349787.db2.gz YMPBUMNFAGYBDX-BXKDBHETSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703803 949349764 /nfs/dbraw/zinc/34/97/64/949349764.db2.gz YMPBUMNFAGYBDX-BXKDBHETSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703804 949351353 /nfs/dbraw/zinc/35/13/53/949351353.db2.gz YMPBUMNFAGYBDX-CABZTGNLSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703804 949351329 /nfs/dbraw/zinc/35/13/29/949351329.db2.gz YMPBUMNFAGYBDX-CABZTGNLSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703805 949351029 /nfs/dbraw/zinc/35/10/29/949351029.db2.gz YMPBUMNFAGYBDX-JOYOIKCWSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703805 949351000 /nfs/dbraw/zinc/35/10/00/949351000.db2.gz YMPBUMNFAGYBDX-JOYOIKCWSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703806 949350089 /nfs/dbraw/zinc/35/00/89/949350089.db2.gz YMPBUMNFAGYBDX-SKDRFNHKSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703806 949350069 /nfs/dbraw/zinc/35/00/69/949350069.db2.gz YMPBUMNFAGYBDX-SKDRFNHKSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574704361 949384224 /nfs/dbraw/zinc/38/42/24/949384224.db2.gz BPAINSCILVMBRB-GHMZBOCLSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574704361 949384204 /nfs/dbraw/zinc/38/42/04/949384204.db2.gz BPAINSCILVMBRB-GHMZBOCLSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574704362 949382283 /nfs/dbraw/zinc/38/22/83/949382283.db2.gz BPAINSCILVMBRB-MNOVXSKESA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574704362 949382258 /nfs/dbraw/zinc/38/22/58/949382258.db2.gz BPAINSCILVMBRB-MNOVXSKESA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574704363 949385400 /nfs/dbraw/zinc/38/54/00/949385400.db2.gz BPAINSCILVMBRB-QWRGUYRKSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574704363 949385377 /nfs/dbraw/zinc/38/53/77/949385377.db2.gz BPAINSCILVMBRB-QWRGUYRKSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574704364 949384665 /nfs/dbraw/zinc/38/46/65/949384665.db2.gz BPAINSCILVMBRB-WDEREUQCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574704364 949384647 /nfs/dbraw/zinc/38/46/47/949384647.db2.gz BPAINSCILVMBRB-WDEREUQCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574704425 949387952 /nfs/dbraw/zinc/38/79/52/949387952.db2.gz CHIWNMQSBXIBHR-CMPLNLGQSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574704425 949387930 /nfs/dbraw/zinc/38/79/30/949387930.db2.gz CHIWNMQSBXIBHR-CMPLNLGQSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574704426 949388365 /nfs/dbraw/zinc/38/83/65/949388365.db2.gz CHIWNMQSBXIBHR-JQWIXIFHSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574704426 949388344 /nfs/dbraw/zinc/38/83/44/949388344.db2.gz CHIWNMQSBXIBHR-JQWIXIFHSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574704427 949386634 /nfs/dbraw/zinc/38/66/34/949386634.db2.gz CHIWNMQSBXIBHR-PWSUYJOCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574704427 949386613 /nfs/dbraw/zinc/38/66/13/949386613.db2.gz CHIWNMQSBXIBHR-PWSUYJOCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574704428 949389006 /nfs/dbraw/zinc/38/90/06/949389006.db2.gz CHIWNMQSBXIBHR-ZYHUDNBSSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574704428 949388984 /nfs/dbraw/zinc/38/89/84/949388984.db2.gz CHIWNMQSBXIBHR-ZYHUDNBSSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705333 949423828 /nfs/dbraw/zinc/42/38/28/949423828.db2.gz IDHOKKGXAGJXQN-GHMZBOCLSA-N -1 1 388.436 -0.729 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705334 949426977 /nfs/dbraw/zinc/42/69/77/949426977.db2.gz IDHOKKGXAGJXQN-MNOVXSKESA-N -1 1 388.436 -0.729 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705335 949426683 /nfs/dbraw/zinc/42/66/83/949426683.db2.gz IDHOKKGXAGJXQN-QWRGUYRKSA-N -1 1 388.436 -0.729 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705336 949425821 /nfs/dbraw/zinc/42/58/21/949425821.db2.gz IDHOKKGXAGJXQN-WDEREUQCSA-N -1 1 388.436 -0.729 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574706139 949451909 /nfs/dbraw/zinc/45/19/09/949451909.db2.gz KYXPRPNKUUBUIP-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574706139 949451890 /nfs/dbraw/zinc/45/18/90/949451890.db2.gz KYXPRPNKUUBUIP-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574706140 949452339 /nfs/dbraw/zinc/45/23/39/949452339.db2.gz KYXPRPNKUUBUIP-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574706140 949452327 /nfs/dbraw/zinc/45/23/27/949452327.db2.gz KYXPRPNKUUBUIP-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574706141 949449767 /nfs/dbraw/zinc/44/97/67/949449767.db2.gz KYXPRPNKUUBUIP-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574706141 949449749 /nfs/dbraw/zinc/44/97/49/949449749.db2.gz KYXPRPNKUUBUIP-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574706142 949452762 /nfs/dbraw/zinc/45/27/62/949452762.db2.gz KYXPRPNKUUBUIP-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574706142 949452752 /nfs/dbraw/zinc/45/27/52/949452752.db2.gz KYXPRPNKUUBUIP-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574706159 949450729 /nfs/dbraw/zinc/45/07/29/949450729.db2.gz LEIQTXASNCTKNR-GHMZBOCLSA-N -1 1 388.436 -0.872 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574706160 949452642 /nfs/dbraw/zinc/45/26/42/949452642.db2.gz LEIQTXASNCTKNR-MNOVXSKESA-N -1 1 388.436 -0.872 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574706161 949449586 /nfs/dbraw/zinc/44/95/86/949449586.db2.gz LEIQTXASNCTKNR-QWRGUYRKSA-N -1 1 388.436 -0.872 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574706162 949450589 /nfs/dbraw/zinc/45/05/89/949450589.db2.gz LEIQTXASNCTKNR-WDEREUQCSA-N -1 1 388.436 -0.872 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574707622 949470855 /nfs/dbraw/zinc/47/08/55/949470855.db2.gz PBNYRPIJAWTGEE-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574707622 949470844 /nfs/dbraw/zinc/47/08/44/949470844.db2.gz PBNYRPIJAWTGEE-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574707623 949471203 /nfs/dbraw/zinc/47/12/03/949471203.db2.gz PBNYRPIJAWTGEE-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574707623 949471189 /nfs/dbraw/zinc/47/11/89/949471189.db2.gz PBNYRPIJAWTGEE-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574707624 949471442 /nfs/dbraw/zinc/47/14/42/949471442.db2.gz PBNYRPIJAWTGEE-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574707624 949471429 /nfs/dbraw/zinc/47/14/29/949471429.db2.gz PBNYRPIJAWTGEE-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574707625 949470910 /nfs/dbraw/zinc/47/09/10/949470910.db2.gz PBNYRPIJAWTGEE-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574707625 949470892 /nfs/dbraw/zinc/47/08/92/949470892.db2.gz PBNYRPIJAWTGEE-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574707800 949475717 /nfs/dbraw/zinc/47/57/17/949475717.db2.gz QLLKOOROAAKWAF-CMPLNLGQSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574707800 949475700 /nfs/dbraw/zinc/47/57/00/949475700.db2.gz QLLKOOROAAKWAF-CMPLNLGQSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574707801 949475669 /nfs/dbraw/zinc/47/56/69/949475669.db2.gz QLLKOOROAAKWAF-JQWIXIFHSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574707801 949475656 /nfs/dbraw/zinc/47/56/56/949475656.db2.gz QLLKOOROAAKWAF-JQWIXIFHSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574707802 949477054 /nfs/dbraw/zinc/47/70/54/949477054.db2.gz QLLKOOROAAKWAF-PWSUYJOCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574707802 949477041 /nfs/dbraw/zinc/47/70/41/949477041.db2.gz QLLKOOROAAKWAF-PWSUYJOCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574707803 949476844 /nfs/dbraw/zinc/47/68/44/949476844.db2.gz QLLKOOROAAKWAF-ZYHUDNBSSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574707803 949476833 /nfs/dbraw/zinc/47/68/33/949476833.db2.gz QLLKOOROAAKWAF-ZYHUDNBSSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574708909 949503171 /nfs/dbraw/zinc/50/31/71/949503171.db2.gz YDONWMDAMXFACH-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574708909 949503161 /nfs/dbraw/zinc/50/31/61/949503161.db2.gz YDONWMDAMXFACH-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574708911 949503838 /nfs/dbraw/zinc/50/38/38/949503838.db2.gz YDONWMDAMXFACH-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574708911 949503819 /nfs/dbraw/zinc/50/38/19/949503819.db2.gz YDONWMDAMXFACH-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574708913 949501399 /nfs/dbraw/zinc/50/13/99/949501399.db2.gz YDONWMDAMXFACH-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574708913 949501391 /nfs/dbraw/zinc/50/13/91/949501391.db2.gz YDONWMDAMXFACH-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574708915 949501129 /nfs/dbraw/zinc/50/11/29/949501129.db2.gz YDONWMDAMXFACH-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574708915 949501114 /nfs/dbraw/zinc/50/11/14/949501114.db2.gz YDONWMDAMXFACH-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574709268 949507472 /nfs/dbraw/zinc/50/74/72/949507472.db2.gz YUYYCOMLBAIFJU-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574709268 949507457 /nfs/dbraw/zinc/50/74/57/949507457.db2.gz YUYYCOMLBAIFJU-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574709272 949508580 /nfs/dbraw/zinc/50/85/80/949508580.db2.gz YUYYCOMLBAIFJU-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574709272 949508562 /nfs/dbraw/zinc/50/85/62/949508562.db2.gz YUYYCOMLBAIFJU-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574709276 949505670 /nfs/dbraw/zinc/50/56/70/949505670.db2.gz YUYYCOMLBAIFJU-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574709276 949505662 /nfs/dbraw/zinc/50/56/62/949505662.db2.gz YUYYCOMLBAIFJU-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574709277 949509181 /nfs/dbraw/zinc/50/91/81/949509181.db2.gz YUYYCOMLBAIFJU-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574709277 949509162 /nfs/dbraw/zinc/50/91/62/949509162.db2.gz YUYYCOMLBAIFJU-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710695 949513149 /nfs/dbraw/zinc/51/31/49/949513149.db2.gz ADXHRVWBAOESAD-NEPJUHHUSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710696 949513364 /nfs/dbraw/zinc/51/33/64/949513364.db2.gz ADXHRVWBAOESAD-NWDGAFQWSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710697 949512010 /nfs/dbraw/zinc/51/20/10/949512010.db2.gz ADXHRVWBAOESAD-RYUDHWBXSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710698 949514311 /nfs/dbraw/zinc/51/43/11/949514311.db2.gz ADXHRVWBAOESAD-VXGBXAGGSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710872 949515138 /nfs/dbraw/zinc/51/51/38/949515138.db2.gz BRKDPNYQGZUQBX-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710872 949515123 /nfs/dbraw/zinc/51/51/23/949515123.db2.gz BRKDPNYQGZUQBX-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710873 949515640 /nfs/dbraw/zinc/51/56/40/949515640.db2.gz BRKDPNYQGZUQBX-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710873 949515629 /nfs/dbraw/zinc/51/56/29/949515629.db2.gz BRKDPNYQGZUQBX-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710876 949518776 /nfs/dbraw/zinc/51/87/76/949518776.db2.gz BRKDPNYQGZUQBX-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710876 949518759 /nfs/dbraw/zinc/51/87/59/949518759.db2.gz BRKDPNYQGZUQBX-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710881 949519420 /nfs/dbraw/zinc/51/94/20/949519420.db2.gz BRKDPNYQGZUQBX-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710881 949519407 /nfs/dbraw/zinc/51/94/07/949519407.db2.gz BRKDPNYQGZUQBX-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710953 949521276 /nfs/dbraw/zinc/52/12/76/949521276.db2.gz CNLDJYALSGNOML-NEPJUHHUSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710954 949521412 /nfs/dbraw/zinc/52/14/12/949521412.db2.gz CNLDJYALSGNOML-NWDGAFQWSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710955 949521794 /nfs/dbraw/zinc/52/17/94/949521794.db2.gz CNLDJYALSGNOML-RYUDHWBXSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710956 949523314 /nfs/dbraw/zinc/52/33/14/949523314.db2.gz CNLDJYALSGNOML-VXGBXAGGSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711536 949542314 /nfs/dbraw/zinc/54/23/14/949542314.db2.gz IRTWGHNFAXGWEO-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711536 949542305 /nfs/dbraw/zinc/54/23/05/949542305.db2.gz IRTWGHNFAXGWEO-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711537 949543428 /nfs/dbraw/zinc/54/34/28/949543428.db2.gz IRTWGHNFAXGWEO-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711537 949543415 /nfs/dbraw/zinc/54/34/15/949543415.db2.gz IRTWGHNFAXGWEO-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711538 949543481 /nfs/dbraw/zinc/54/34/81/949543481.db2.gz IRTWGHNFAXGWEO-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711538 949543471 /nfs/dbraw/zinc/54/34/71/949543471.db2.gz IRTWGHNFAXGWEO-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711539 949541537 /nfs/dbraw/zinc/54/15/37/949541537.db2.gz IRTWGHNFAXGWEO-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711539 949541500 /nfs/dbraw/zinc/54/15/00/949541500.db2.gz IRTWGHNFAXGWEO-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574711737 949549699 /nfs/dbraw/zinc/54/96/99/949549699.db2.gz LBARCESWIBHGCC-NTSWFWBYSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574711737 949549683 /nfs/dbraw/zinc/54/96/83/949549683.db2.gz LBARCESWIBHGCC-NTSWFWBYSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574711738 949550267 /nfs/dbraw/zinc/55/02/67/949550267.db2.gz LBARCESWIBHGCC-PHDIDXHHSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574711738 949550258 /nfs/dbraw/zinc/55/02/58/949550258.db2.gz LBARCESWIBHGCC-PHDIDXHHSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574711739 949551202 /nfs/dbraw/zinc/55/12/02/949551202.db2.gz LBARCESWIBHGCC-RITPCOANSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574711739 949551188 /nfs/dbraw/zinc/55/11/88/949551188.db2.gz LBARCESWIBHGCC-RITPCOANSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574711740 949549801 /nfs/dbraw/zinc/54/98/01/949549801.db2.gz LBARCESWIBHGCC-WDSKDSINSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574711740 949549784 /nfs/dbraw/zinc/54/97/84/949549784.db2.gz LBARCESWIBHGCC-WDSKDSINSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711901 949562035 /nfs/dbraw/zinc/56/20/35/949562035.db2.gz NUMRNMZJQYSZGL-NEPJUHHUSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711902 949559455 /nfs/dbraw/zinc/55/94/55/949559455.db2.gz NUMRNMZJQYSZGL-NWDGAFQWSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711903 949560026 /nfs/dbraw/zinc/56/00/26/949560026.db2.gz NUMRNMZJQYSZGL-RYUDHWBXSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711904 949560238 /nfs/dbraw/zinc/56/02/38/949560238.db2.gz NUMRNMZJQYSZGL-VXGBXAGGSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712688 949585833 /nfs/dbraw/zinc/58/58/33/949585833.db2.gz SXFVVHZRLHRNLT-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712688 949585813 /nfs/dbraw/zinc/58/58/13/949585813.db2.gz SXFVVHZRLHRNLT-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712689 949582806 /nfs/dbraw/zinc/58/28/06/949582806.db2.gz SXFVVHZRLHRNLT-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712689 949582792 /nfs/dbraw/zinc/58/27/92/949582792.db2.gz SXFVVHZRLHRNLT-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712690 949586924 /nfs/dbraw/zinc/58/69/24/949586924.db2.gz SXFVVHZRLHRNLT-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712690 949586910 /nfs/dbraw/zinc/58/69/10/949586910.db2.gz SXFVVHZRLHRNLT-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712691 949584834 /nfs/dbraw/zinc/58/48/34/949584834.db2.gz SXFVVHZRLHRNLT-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712691 949584821 /nfs/dbraw/zinc/58/48/21/949584821.db2.gz SXFVVHZRLHRNLT-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712888 949590723 /nfs/dbraw/zinc/59/07/23/949590723.db2.gz UYJKSDKYETXGHI-GHMZBOCLSA-N -1 1 383.420 -0.809 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712889 949591588 /nfs/dbraw/zinc/59/15/88/949591588.db2.gz UYJKSDKYETXGHI-MNOVXSKESA-N -1 1 383.420 -0.809 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712890 949589371 /nfs/dbraw/zinc/58/93/71/949589371.db2.gz UYJKSDKYETXGHI-QWRGUYRKSA-N -1 1 383.420 -0.809 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712891 949588245 /nfs/dbraw/zinc/58/82/45/949588245.db2.gz UYJKSDKYETXGHI-WDEREUQCSA-N -1 1 383.420 -0.809 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712892 949588608 /nfs/dbraw/zinc/58/86/08/949588608.db2.gz UYQRZBLGADETTB-GHMZBOCLSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712893 949591063 /nfs/dbraw/zinc/59/10/63/949591063.db2.gz UYQRZBLGADETTB-MNOVXSKESA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712894 949590549 /nfs/dbraw/zinc/59/05/49/949590549.db2.gz UYQRZBLGADETTB-QWRGUYRKSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712895 949591388 /nfs/dbraw/zinc/59/13/88/949591388.db2.gz UYQRZBLGADETTB-WDEREUQCSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713185 949598961 /nfs/dbraw/zinc/59/89/61/949598961.db2.gz WFQUSUUULRZQCJ-NEPJUHHUSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713188 949598861 /nfs/dbraw/zinc/59/88/61/949598861.db2.gz WFQUSUUULRZQCJ-NWDGAFQWSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713191 949599160 /nfs/dbraw/zinc/59/91/60/949599160.db2.gz WFQUSUUULRZQCJ-RYUDHWBXSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713194 949601448 /nfs/dbraw/zinc/60/14/48/949601448.db2.gz WFQUSUUULRZQCJ-VXGBXAGGSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713468 949604979 /nfs/dbraw/zinc/60/49/79/949604979.db2.gz XPHYVYMLNCCEJB-GHMZBOCLSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713471 949603005 /nfs/dbraw/zinc/60/30/05/949603005.db2.gz XPHYVYMLNCCEJB-MNOVXSKESA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713474 949602968 /nfs/dbraw/zinc/60/29/68/949602968.db2.gz XPHYVYMLNCCEJB-QWRGUYRKSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713475 949604279 /nfs/dbraw/zinc/60/42/79/949604279.db2.gz XPHYVYMLNCCEJB-WDEREUQCSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713940 949617089 /nfs/dbraw/zinc/61/70/89/949617089.db2.gz ZPVLZKJVISCMQX-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713940 949617072 /nfs/dbraw/zinc/61/70/72/949617072.db2.gz ZPVLZKJVISCMQX-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713943 949618467 /nfs/dbraw/zinc/61/84/67/949618467.db2.gz ZPVLZKJVISCMQX-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713943 949618449 /nfs/dbraw/zinc/61/84/49/949618449.db2.gz ZPVLZKJVISCMQX-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713947 949619052 /nfs/dbraw/zinc/61/90/52/949619052.db2.gz ZPVLZKJVISCMQX-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713947 949619040 /nfs/dbraw/zinc/61/90/40/949619040.db2.gz ZPVLZKJVISCMQX-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713950 949618275 /nfs/dbraw/zinc/61/82/75/949618275.db2.gz ZPVLZKJVISCMQX-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713950 949618261 /nfs/dbraw/zinc/61/82/61/949618261.db2.gz ZPVLZKJVISCMQX-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574713952 949620060 /nfs/dbraw/zinc/62/00/60/949620060.db2.gz ZRURDSBLGBHZLR-NTSWFWBYSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574713955 949619238 /nfs/dbraw/zinc/61/92/38/949619238.db2.gz ZRURDSBLGBHZLR-PHDIDXHHSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574713957 949617925 /nfs/dbraw/zinc/61/79/25/949617925.db2.gz ZRURDSBLGBHZLR-RITPCOANSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574713959 949620200 /nfs/dbraw/zinc/62/02/00/949620200.db2.gz ZRURDSBLGBHZLR-WDSKDSINSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574715432 949650258 /nfs/dbraw/zinc/65/02/58/949650258.db2.gz CNAJRXKAEULMAV-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574715432 949650250 /nfs/dbraw/zinc/65/02/50/949650250.db2.gz CNAJRXKAEULMAV-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574715433 949652127 /nfs/dbraw/zinc/65/21/27/949652127.db2.gz CNAJRXKAEULMAV-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574715433 949652109 /nfs/dbraw/zinc/65/21/09/949652109.db2.gz CNAJRXKAEULMAV-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715700 949664869 /nfs/dbraw/zinc/66/48/69/949664869.db2.gz FEXSCNHYCUIMBO-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715700 949664850 /nfs/dbraw/zinc/66/48/50/949664850.db2.gz FEXSCNHYCUIMBO-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715701 949667305 /nfs/dbraw/zinc/66/73/05/949667305.db2.gz FEXSCNHYCUIMBO-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715701 949667290 /nfs/dbraw/zinc/66/72/90/949667290.db2.gz FEXSCNHYCUIMBO-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716572 949699463 /nfs/dbraw/zinc/69/94/63/949699463.db2.gz KJRMYUPYSVSLAO-LLVKDONJSA-N -1 1 375.437 -0.404 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716573 949697566 /nfs/dbraw/zinc/69/75/66/949697566.db2.gz KJRMYUPYSVSLAO-NSHDSACASA-N -1 1 375.437 -0.404 20 0 GBADMM O=C([O-])CN1CCC(NC(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 ZINC001574717039 962730951 /nfs/dbraw/zinc/73/09/51/962730951.db2.gz ABQHYLAOPJQFPE-UHFFFAOYSA-N -1 1 375.369 -0.188 20 0 GBADMM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717780 949746821 /nfs/dbraw/zinc/74/68/21/949746821.db2.gz PTWQQAAGHGMJRA-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717780 949746808 /nfs/dbraw/zinc/74/68/08/949746808.db2.gz PTWQQAAGHGMJRA-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717781 949747054 /nfs/dbraw/zinc/74/70/54/949747054.db2.gz PTWQQAAGHGMJRA-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717781 949747043 /nfs/dbraw/zinc/74/70/43/949747043.db2.gz PTWQQAAGHGMJRA-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720827 949803243 /nfs/dbraw/zinc/80/32/43/949803243.db2.gz HURJOTJJDOMSAD-LLVKDONJSA-N -1 1 389.464 -0.110 20 0 GBADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720829 949804891 /nfs/dbraw/zinc/80/48/91/949804891.db2.gz HURJOTJJDOMSAD-NSHDSACASA-N -1 1 389.464 -0.110 20 0 GBADMM C[C@H](CN(C)C(=O)CCOC1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574721417 949816807 /nfs/dbraw/zinc/81/68/07/949816807.db2.gz LCGGGCCDYRSHRC-GFCCVEGCSA-N -1 1 390.448 -0.077 20 0 GBADMM C[C@@H](CN(C)C(=O)CCOC1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574721418 949816734 /nfs/dbraw/zinc/81/67/34/949816734.db2.gz LCGGGCCDYRSHRC-LBPRGKRZSA-N -1 1 390.448 -0.077 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574721421 949815358 /nfs/dbraw/zinc/81/53/58/949815358.db2.gz LEILYVNUWXQXRD-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574721421 949815334 /nfs/dbraw/zinc/81/53/34/949815334.db2.gz LEILYVNUWXQXRD-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574721422 949814878 /nfs/dbraw/zinc/81/48/78/949814878.db2.gz LEILYVNUWXQXRD-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574721422 949814864 /nfs/dbraw/zinc/81/48/64/949814864.db2.gz LEILYVNUWXQXRD-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722699 949838521 /nfs/dbraw/zinc/83/85/21/949838521.db2.gz VQFPXZXCJHWJDK-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722699 949838502 /nfs/dbraw/zinc/83/85/02/949838502.db2.gz VQFPXZXCJHWJDK-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722700 949839624 /nfs/dbraw/zinc/83/96/24/949839624.db2.gz VQFPXZXCJHWJDK-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722700 949839603 /nfs/dbraw/zinc/83/96/03/949839603.db2.gz VQFPXZXCJHWJDK-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574722717 949841929 /nfs/dbraw/zinc/84/19/29/949841929.db2.gz VXVUQAMZIMEPCH-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574722717 949841916 /nfs/dbraw/zinc/84/19/16/949841916.db2.gz VXVUQAMZIMEPCH-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574722718 949842144 /nfs/dbraw/zinc/84/21/44/949842144.db2.gz VXVUQAMZIMEPCH-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574722718 949842124 /nfs/dbraw/zinc/84/21/24/949842124.db2.gz VXVUQAMZIMEPCH-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722723 949844982 /nfs/dbraw/zinc/84/49/82/949844982.db2.gz WCJSDVZVGDZWCW-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722723 949844966 /nfs/dbraw/zinc/84/49/66/949844966.db2.gz WCJSDVZVGDZWCW-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722724 949847230 /nfs/dbraw/zinc/84/72/30/949847230.db2.gz WCJSDVZVGDZWCW-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722724 949847204 /nfs/dbraw/zinc/84/72/04/949847204.db2.gz WCJSDVZVGDZWCW-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574722877 949847066 /nfs/dbraw/zinc/84/70/66/949847066.db2.gz XMKUYHWCBIWKCW-JTQLQIEISA-N -1 1 382.450 -0.838 20 0 GBADMM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574722878 949847513 /nfs/dbraw/zinc/84/75/13/949847513.db2.gz XMKUYHWCBIWKCW-SNVBAGLBSA-N -1 1 382.450 -0.838 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574725099 949896122 /nfs/dbraw/zinc/89/61/22/949896122.db2.gz POHRPWNMUYCIOT-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574725099 949896095 /nfs/dbraw/zinc/89/60/95/949896095.db2.gz POHRPWNMUYCIOT-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574725100 949891721 /nfs/dbraw/zinc/89/17/21/949891721.db2.gz POHRPWNMUYCIOT-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574725100 949891711 /nfs/dbraw/zinc/89/17/11/949891711.db2.gz POHRPWNMUYCIOT-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574725341 949897508 /nfs/dbraw/zinc/89/75/08/949897508.db2.gz SCQUPPVIXKAGCQ-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574725341 949897492 /nfs/dbraw/zinc/89/74/92/949897492.db2.gz SCQUPPVIXKAGCQ-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574725342 949897333 /nfs/dbraw/zinc/89/73/33/949897333.db2.gz SCQUPPVIXKAGCQ-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574725342 949897313 /nfs/dbraw/zinc/89/73/13/949897313.db2.gz SCQUPPVIXKAGCQ-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574725664 949902807 /nfs/dbraw/zinc/90/28/07/949902807.db2.gz ABCHOVKVXUTQLM-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574725664 949902792 /nfs/dbraw/zinc/90/27/92/949902792.db2.gz ABCHOVKVXUTQLM-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574725665 949902767 /nfs/dbraw/zinc/90/27/67/949902767.db2.gz ABCHOVKVXUTQLM-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574725665 949902752 /nfs/dbraw/zinc/90/27/52/949902752.db2.gz ABCHOVKVXUTQLM-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725722 949909747 /nfs/dbraw/zinc/90/97/47/949909747.db2.gz BXBTZWYWKUVRTG-LLVKDONJSA-N -1 1 386.420 -0.712 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725723 949909473 /nfs/dbraw/zinc/90/94/73/949909473.db2.gz BXBTZWYWKUVRTG-NSHDSACASA-N -1 1 386.420 -0.712 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574725912 949914357 /nfs/dbraw/zinc/91/43/57/949914357.db2.gz VSWKVFMXHKIYDI-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574725912 949914338 /nfs/dbraw/zinc/91/43/38/949914338.db2.gz VSWKVFMXHKIYDI-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574725914 949914859 /nfs/dbraw/zinc/91/48/59/949914859.db2.gz VSWKVFMXHKIYDI-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574725914 949914846 /nfs/dbraw/zinc/91/48/46/949914846.db2.gz VSWKVFMXHKIYDI-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725966 949920550 /nfs/dbraw/zinc/92/05/50/949920550.db2.gz WKJPLJCJYBLURL-GFCCVEGCSA-N -1 1 383.416 -0.411 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725967 949919673 /nfs/dbraw/zinc/91/96/73/949919673.db2.gz DYHXMOVEVLLGAC-LLVKDONJSA-N -1 1 386.420 -0.712 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725968 949918982 /nfs/dbraw/zinc/91/89/82/949918982.db2.gz WKJPLJCJYBLURL-LBPRGKRZSA-N -1 1 383.416 -0.411 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725969 949919926 /nfs/dbraw/zinc/91/99/26/949919926.db2.gz DYHXMOVEVLLGAC-NSHDSACASA-N -1 1 386.420 -0.712 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574726017 949924717 /nfs/dbraw/zinc/92/47/17/949924717.db2.gz FNXXKTHBKQJRHX-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574726017 949924696 /nfs/dbraw/zinc/92/46/96/949924696.db2.gz FNXXKTHBKQJRHX-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574726019 949924463 /nfs/dbraw/zinc/92/44/63/949924463.db2.gz FNXXKTHBKQJRHX-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574726019 949924442 /nfs/dbraw/zinc/92/44/42/949924442.db2.gz FNXXKTHBKQJRHX-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574726167 949923677 /nfs/dbraw/zinc/92/36/77/949923677.db2.gz GEKVOSWHCSWSGG-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574726167 949923664 /nfs/dbraw/zinc/92/36/64/949923664.db2.gz GEKVOSWHCSWSGG-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574726169 949923545 /nfs/dbraw/zinc/92/35/45/949923545.db2.gz GEKVOSWHCSWSGG-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574726169 949923534 /nfs/dbraw/zinc/92/35/34/949923534.db2.gz GEKVOSWHCSWSGG-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726186 949923106 /nfs/dbraw/zinc/92/31/06/949923106.db2.gz GOCACSOYSORTGB-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726186 949923092 /nfs/dbraw/zinc/92/30/92/949923092.db2.gz GOCACSOYSORTGB-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726187 949922885 /nfs/dbraw/zinc/92/28/85/949922885.db2.gz GOCACSOYSORTGB-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726187 949922867 /nfs/dbraw/zinc/92/28/67/949922867.db2.gz GOCACSOYSORTGB-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726261 949928623 /nfs/dbraw/zinc/92/86/23/949928623.db2.gz HLOLADIWQXOWHE-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726261 949928606 /nfs/dbraw/zinc/92/86/06/949928606.db2.gz HLOLADIWQXOWHE-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726263 949929586 /nfs/dbraw/zinc/92/95/86/949929586.db2.gz HLOLADIWQXOWHE-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726263 949929567 /nfs/dbraw/zinc/92/95/67/949929567.db2.gz HLOLADIWQXOWHE-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574726284 949932693 /nfs/dbraw/zinc/93/26/93/949932693.db2.gz HUJUEAONSHMHNN-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574726284 949932677 /nfs/dbraw/zinc/93/26/77/949932677.db2.gz HUJUEAONSHMHNN-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574726286 949936629 /nfs/dbraw/zinc/93/66/29/949936629.db2.gz HUJUEAONSHMHNN-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574726286 949936620 /nfs/dbraw/zinc/93/66/20/949936620.db2.gz HUJUEAONSHMHNN-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726302 949933765 /nfs/dbraw/zinc/93/37/65/949933765.db2.gz HWYBKOIAUGCMLU-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726302 949933745 /nfs/dbraw/zinc/93/37/45/949933745.db2.gz HWYBKOIAUGCMLU-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726303 949933112 /nfs/dbraw/zinc/93/31/12/949933112.db2.gz HWYBKOIAUGCMLU-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726303 949933091 /nfs/dbraw/zinc/93/30/91/949933091.db2.gz HWYBKOIAUGCMLU-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726317 949936040 /nfs/dbraw/zinc/93/60/40/949936040.db2.gz IDNQAQNBBHNBHW-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726317 949936021 /nfs/dbraw/zinc/93/60/21/949936021.db2.gz IDNQAQNBBHNBHW-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726319 949933057 /nfs/dbraw/zinc/93/30/57/949933057.db2.gz IDNQAQNBBHNBHW-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726319 949933037 /nfs/dbraw/zinc/93/30/37/949933037.db2.gz IDNQAQNBBHNBHW-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726334 949936366 /nfs/dbraw/zinc/93/63/66/949936366.db2.gz ZIPQSMRVDISIKM-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726334 949936348 /nfs/dbraw/zinc/93/63/48/949936348.db2.gz ZIPQSMRVDISIKM-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726335 949935840 /nfs/dbraw/zinc/93/58/40/949935840.db2.gz ZIPQSMRVDISIKM-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726335 949935820 /nfs/dbraw/zinc/93/58/20/949935820.db2.gz ZIPQSMRVDISIKM-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574726469 949941722 /nfs/dbraw/zinc/94/17/22/949941722.db2.gz IPEQFTFGFDDSNV-JTQLQIEISA-N -1 1 382.450 -0.839 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574726470 949941269 /nfs/dbraw/zinc/94/12/69/949941269.db2.gz IPEQFTFGFDDSNV-SNVBAGLBSA-N -1 1 382.450 -0.839 20 0 GBADMM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727078 949956515 /nfs/dbraw/zinc/95/65/15/949956515.db2.gz OUYDNNAULKHZBW-GFCCVEGCSA-N -1 1 387.448 -0.260 20 0 GBADMM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727081 949953338 /nfs/dbraw/zinc/95/33/38/949953338.db2.gz OUYDNNAULKHZBW-LBPRGKRZSA-N -1 1 387.448 -0.260 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574727091 949954495 /nfs/dbraw/zinc/95/44/95/949954495.db2.gz PCEZXRZKYULMCY-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574727091 949954471 /nfs/dbraw/zinc/95/44/71/949954471.db2.gz PCEZXRZKYULMCY-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574727092 949955519 /nfs/dbraw/zinc/95/55/19/949955519.db2.gz PCEZXRZKYULMCY-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574727092 949955496 /nfs/dbraw/zinc/95/54/96/949955496.db2.gz PCEZXRZKYULMCY-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727220 949952861 /nfs/dbraw/zinc/95/28/61/949952861.db2.gz PWRMOVIZZRIMPL-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727220 949952840 /nfs/dbraw/zinc/95/28/40/949952840.db2.gz PWRMOVIZZRIMPL-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727221 949955625 /nfs/dbraw/zinc/95/56/25/949955625.db2.gz PWRMOVIZZRIMPL-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727221 949955612 /nfs/dbraw/zinc/95/56/12/949955612.db2.gz PWRMOVIZZRIMPL-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727246 949961736 /nfs/dbraw/zinc/96/17/36/949961736.db2.gz QMXGMVLEBUKJRW-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727246 949961723 /nfs/dbraw/zinc/96/17/23/949961723.db2.gz QMXGMVLEBUKJRW-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727247 949961627 /nfs/dbraw/zinc/96/16/27/949961627.db2.gz QMXGMVLEBUKJRW-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727247 949961613 /nfs/dbraw/zinc/96/16/13/949961613.db2.gz QMXGMVLEBUKJRW-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727250 949961873 /nfs/dbraw/zinc/96/18/73/949961873.db2.gz QNPKOTOLKXCGKP-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727250 949961857 /nfs/dbraw/zinc/96/18/57/949961857.db2.gz QNPKOTOLKXCGKP-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727251 949960868 /nfs/dbraw/zinc/96/08/68/949960868.db2.gz QNPKOTOLKXCGKP-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727251 949960852 /nfs/dbraw/zinc/96/08/52/949960852.db2.gz QNPKOTOLKXCGKP-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727462 949964250 /nfs/dbraw/zinc/96/42/50/949964250.db2.gz TYSAGKOLIDONKK-NEPJUHHUSA-N -1 1 376.421 -0.467 20 0 GBADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727463 949966699 /nfs/dbraw/zinc/96/66/99/949966699.db2.gz TYSAGKOLIDONKK-NWDGAFQWSA-N -1 1 376.421 -0.467 20 0 GBADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727464 949964704 /nfs/dbraw/zinc/96/47/04/949964704.db2.gz TYSAGKOLIDONKK-RYUDHWBXSA-N -1 1 376.421 -0.467 20 0 GBADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727465 949963531 /nfs/dbraw/zinc/96/35/31/949963531.db2.gz TYSAGKOLIDONKK-VXGBXAGGSA-N -1 1 376.421 -0.467 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574727549 949969016 /nfs/dbraw/zinc/96/90/16/949969016.db2.gz VFBINHQWLQPTIZ-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574727549 949968999 /nfs/dbraw/zinc/96/89/99/949968999.db2.gz VFBINHQWLQPTIZ-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574727550 949969904 /nfs/dbraw/zinc/96/99/04/949969904.db2.gz VFBINHQWLQPTIZ-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574727550 949969888 /nfs/dbraw/zinc/96/98/88/949969888.db2.gz VFBINHQWLQPTIZ-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727610 949975476 /nfs/dbraw/zinc/97/54/76/949975476.db2.gz VZYUODPYQJDKGH-JTQLQIEISA-N -1 1 375.437 -0.500 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727611 949977015 /nfs/dbraw/zinc/97/70/15/949977015.db2.gz VZYUODPYQJDKGH-SNVBAGLBSA-N -1 1 375.437 -0.500 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727618 949973730 /nfs/dbraw/zinc/97/37/30/949973730.db2.gz WCUCOJYJPNCZHI-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727618 949973708 /nfs/dbraw/zinc/97/37/08/949973708.db2.gz WCUCOJYJPNCZHI-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727619 949977467 /nfs/dbraw/zinc/97/74/67/949977467.db2.gz WCUCOJYJPNCZHI-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727619 949977452 /nfs/dbraw/zinc/97/74/52/949977452.db2.gz WCUCOJYJPNCZHI-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727622 949974442 /nfs/dbraw/zinc/97/44/42/949974442.db2.gz WHKFKWJXMLUDFR-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727622 949974433 /nfs/dbraw/zinc/97/44/33/949974433.db2.gz WHKFKWJXMLUDFR-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727623 949973973 /nfs/dbraw/zinc/97/39/73/949973973.db2.gz WHKFKWJXMLUDFR-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727623 949973953 /nfs/dbraw/zinc/97/39/53/949973953.db2.gz WHKFKWJXMLUDFR-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727660 949975353 /nfs/dbraw/zinc/97/53/53/949975353.db2.gz WZFYGKOQKKLKFC-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727660 949975330 /nfs/dbraw/zinc/97/53/30/949975330.db2.gz WZFYGKOQKKLKFC-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727661 949974332 /nfs/dbraw/zinc/97/43/32/949974332.db2.gz WZFYGKOQKKLKFC-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727661 949974318 /nfs/dbraw/zinc/97/43/18/949974318.db2.gz WZFYGKOQKKLKFC-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727698 949979411 /nfs/dbraw/zinc/97/94/11/949979411.db2.gz XTSJGTDAAGUHCR-LLVKDONJSA-N -1 1 389.464 -0.110 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727699 949978665 /nfs/dbraw/zinc/97/86/65/949978665.db2.gz XTSJGTDAAGUHCR-NSHDSACASA-N -1 1 389.464 -0.110 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727732 949979905 /nfs/dbraw/zinc/97/99/05/949979905.db2.gz YOOAHCLTGGMDRW-GFCCVEGCSA-N -1 1 383.416 -0.051 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727733 949979469 /nfs/dbraw/zinc/97/94/69/949979469.db2.gz YOOAHCLTGGMDRW-LBPRGKRZSA-N -1 1 383.416 -0.051 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727772 949986970 /nfs/dbraw/zinc/98/69/70/949986970.db2.gz ZHMCEISNEXWPAO-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727772 949986947 /nfs/dbraw/zinc/98/69/47/949986947.db2.gz ZHMCEISNEXWPAO-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727773 949986141 /nfs/dbraw/zinc/98/61/41/949986141.db2.gz ZHMCEISNEXWPAO-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727773 949986124 /nfs/dbraw/zinc/98/61/24/949986124.db2.gz ZHMCEISNEXWPAO-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727808 949985222 /nfs/dbraw/zinc/98/52/22/949985222.db2.gz ZXNDNBKXVOORTI-LLVKDONJSA-N -1 1 388.436 -0.857 20 0 GBADMM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727809 949985272 /nfs/dbraw/zinc/98/52/72/949985272.db2.gz ZXNDNBKXVOORTI-NSHDSACASA-N -1 1 388.436 -0.857 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574730581 950029973 /nfs/dbraw/zinc/02/99/73/950029973.db2.gz AGKAGWJNXWBWQI-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574730581 950029948 /nfs/dbraw/zinc/02/99/48/950029948.db2.gz AGKAGWJNXWBWQI-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574730583 950031557 /nfs/dbraw/zinc/03/15/57/950031557.db2.gz AGKAGWJNXWBWQI-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574730583 950031535 /nfs/dbraw/zinc/03/15/35/950031535.db2.gz AGKAGWJNXWBWQI-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730599 950034582 /nfs/dbraw/zinc/03/45/82/950034582.db2.gz ALEIBGGTYGKYNN-NEPJUHHUSA-N -1 1 387.448 -0.263 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730601 950030309 /nfs/dbraw/zinc/03/03/09/950030309.db2.gz ALEIBGGTYGKYNN-RYUDHWBXSA-N -1 1 387.448 -0.263 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574731435 950049767 /nfs/dbraw/zinc/04/97/67/950049767.db2.gz DPRDRDVGWGZPKI-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574731435 950049746 /nfs/dbraw/zinc/04/97/46/950049746.db2.gz DPRDRDVGWGZPKI-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574731436 950050113 /nfs/dbraw/zinc/05/01/13/950050113.db2.gz DPRDRDVGWGZPKI-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574731436 950050091 /nfs/dbraw/zinc/05/00/91/950050091.db2.gz DPRDRDVGWGZPKI-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574732127 950066220 /nfs/dbraw/zinc/06/62/20/950066220.db2.gz GERDUELHQWMWHA-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574732127 950066202 /nfs/dbraw/zinc/06/62/02/950066202.db2.gz GERDUELHQWMWHA-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574732143 950065335 /nfs/dbraw/zinc/06/53/35/950065335.db2.gz GERDUELHQWMWHA-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574732143 950065314 /nfs/dbraw/zinc/06/53/14/950065314.db2.gz GERDUELHQWMWHA-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574732256 950070594 /nfs/dbraw/zinc/07/05/94/950070594.db2.gz HYURQJONGSRUDE-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574732256 950070573 /nfs/dbraw/zinc/07/05/73/950070573.db2.gz HYURQJONGSRUDE-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574732258 950068141 /nfs/dbraw/zinc/06/81/41/950068141.db2.gz HYURQJONGSRUDE-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574732258 950068121 /nfs/dbraw/zinc/06/81/21/950068121.db2.gz HYURQJONGSRUDE-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574732549 950073051 /nfs/dbraw/zinc/07/30/51/950073051.db2.gz JZZUZDRHIJSHHN-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574732549 950073032 /nfs/dbraw/zinc/07/30/32/950073032.db2.gz JZZUZDRHIJSHHN-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574732550 950073315 /nfs/dbraw/zinc/07/33/15/950073315.db2.gz JZZUZDRHIJSHHN-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574732550 950073295 /nfs/dbraw/zinc/07/32/95/950073295.db2.gz JZZUZDRHIJSHHN-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574732569 950076103 /nfs/dbraw/zinc/07/61/03/950076103.db2.gz KFCWPCWDNWVGEO-JTQLQIEISA-N -1 1 386.424 -0.853 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574732571 950075576 /nfs/dbraw/zinc/07/55/76/950075576.db2.gz KFCWPCWDNWVGEO-SNVBAGLBSA-N -1 1 386.424 -0.853 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574732589 950074354 /nfs/dbraw/zinc/07/43/54/950074354.db2.gz KMGMFJGRLPAPBA-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574732589 950074331 /nfs/dbraw/zinc/07/43/31/950074331.db2.gz KMGMFJGRLPAPBA-JTQLQIEISA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574732591 950074557 /nfs/dbraw/zinc/07/45/57/950074557.db2.gz KMGMFJGRLPAPBA-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574732591 950074540 /nfs/dbraw/zinc/07/45/40/950074540.db2.gz KMGMFJGRLPAPBA-SNVBAGLBSA-N -1 1 386.424 -0.274 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733042 950089051 /nfs/dbraw/zinc/08/90/51/950089051.db2.gz QMWPHGCCYPDEFU-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733043 950089516 /nfs/dbraw/zinc/08/95/16/950089516.db2.gz QMWPHGCCYPDEFU-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733240 950101799 /nfs/dbraw/zinc/10/17/99/950101799.db2.gz WQFBPIPZFFAGPS-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733241 950102205 /nfs/dbraw/zinc/10/22/05/950102205.db2.gz WQFBPIPZFFAGPS-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733302 950106722 /nfs/dbraw/zinc/10/67/22/950106722.db2.gz YCUGNQIMYYRWMB-JTQLQIEISA-N -1 1 383.420 -0.494 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733303 950105769 /nfs/dbraw/zinc/10/57/69/950105769.db2.gz YCUGNQIMYYRWMB-SNVBAGLBSA-N -1 1 383.420 -0.494 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574733352 950110675 /nfs/dbraw/zinc/11/06/75/950110675.db2.gz ZXOHTKIPLFDIGS-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574733352 950110667 /nfs/dbraw/zinc/11/06/67/950110667.db2.gz ZXOHTKIPLFDIGS-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574733353 950110195 /nfs/dbraw/zinc/11/01/95/950110195.db2.gz ZXOHTKIPLFDIGS-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574733353 950110190 /nfs/dbraw/zinc/11/01/90/950110190.db2.gz ZXOHTKIPLFDIGS-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1nccnc1-c1nn[n-]n1 ZINC001574733469 950114193 /nfs/dbraw/zinc/11/41/93/950114193.db2.gz BVCGNICFQMOWSU-OWTLIXCDSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1nccnc1-c1nnn[n-]1 ZINC001574733469 950114181 /nfs/dbraw/zinc/11/41/81/950114181.db2.gz BVCGNICFQMOWSU-OWTLIXCDSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1nccnc1-c1nn[n-]n1 ZINC001574733470 950115554 /nfs/dbraw/zinc/11/55/54/950115554.db2.gz BVCGNICFQMOWSU-ZJQBRPOHSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1nccnc1-c1nnn[n-]1 ZINC001574733470 950115545 /nfs/dbraw/zinc/11/55/45/950115545.db2.gz BVCGNICFQMOWSU-ZJQBRPOHSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734391 950131429 /nfs/dbraw/zinc/13/14/29/950131429.db2.gz LORQJTVWDAXRQY-KGYLQXTDSA-N -1 1 382.432 -0.125 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734392 950132055 /nfs/dbraw/zinc/13/20/55/950132055.db2.gz LORQJTVWDAXRQY-WCFLWFBJSA-N -1 1 382.432 -0.125 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734713 950142416 /nfs/dbraw/zinc/14/24/16/950142416.db2.gz OUXOEKFDKWFYPK-OWTLIXCDSA-N -1 1 388.432 -0.611 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734714 950142018 /nfs/dbraw/zinc/14/20/18/950142018.db2.gz OUXOEKFDKWFYPK-ZJQBRPOHSA-N -1 1 388.432 -0.611 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734783 950142748 /nfs/dbraw/zinc/14/27/48/950142748.db2.gz QXKGUWRADDYOFG-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734783 950142740 /nfs/dbraw/zinc/14/27/40/950142740.db2.gz QXKGUWRADDYOFG-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734784 950140430 /nfs/dbraw/zinc/14/04/30/950140430.db2.gz QXKGUWRADDYOFG-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734784 950140419 /nfs/dbraw/zinc/14/04/19/950140419.db2.gz QXKGUWRADDYOFG-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734889 950151494 /nfs/dbraw/zinc/15/14/94/950151494.db2.gz UODKEONECRWYGS-IJLUTSLNSA-N -1 1 382.432 -0.125 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734890 950148707 /nfs/dbraw/zinc/14/87/07/950148707.db2.gz UODKEONECRWYGS-QJPTWQEYSA-N -1 1 382.432 -0.125 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734983 950154160 /nfs/dbraw/zinc/15/41/60/950154160.db2.gz WNIXQEUTCBIPAN-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734983 950154146 /nfs/dbraw/zinc/15/41/46/950154146.db2.gz WNIXQEUTCBIPAN-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734984 950154273 /nfs/dbraw/zinc/15/42/73/950154273.db2.gz WNIXQEUTCBIPAN-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734984 950154263 /nfs/dbraw/zinc/15/42/63/950154263.db2.gz WNIXQEUTCBIPAN-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574735048 950160659 /nfs/dbraw/zinc/16/06/59/950160659.db2.gz YFWICQCPTFTSGE-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574735048 950160645 /nfs/dbraw/zinc/16/06/45/950160645.db2.gz YFWICQCPTFTSGE-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574735049 950159089 /nfs/dbraw/zinc/15/90/89/950159089.db2.gz YFWICQCPTFTSGE-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574735049 950159081 /nfs/dbraw/zinc/15/90/81/950159081.db2.gz YFWICQCPTFTSGE-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742659 950300614 /nfs/dbraw/zinc/30/06/14/950300614.db2.gz QJDPHXKLQOMSOT-JTQLQIEISA-N -1 1 382.432 -0.127 20 0 GBADMM C[C@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742663 950296751 /nfs/dbraw/zinc/29/67/51/950296751.db2.gz QJDPHXKLQOMSOT-SNVBAGLBSA-N -1 1 382.432 -0.127 20 0 GBADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574744775 950364137 /nfs/dbraw/zinc/36/41/37/950364137.db2.gz BAQBETKEYHJYEG-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574744775 950364118 /nfs/dbraw/zinc/36/41/18/950364118.db2.gz BAQBETKEYHJYEG-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574744776 950361759 /nfs/dbraw/zinc/36/17/59/950361759.db2.gz BAQBETKEYHJYEG-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574744776 950361740 /nfs/dbraw/zinc/36/17/40/950361740.db2.gz BAQBETKEYHJYEG-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574745784 950385337 /nfs/dbraw/zinc/38/53/37/950385337.db2.gz KLNSZOPVIHMGNG-JTQLQIEISA-N -1 1 386.420 -0.299 20 0 GBADMM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574745786 950384839 /nfs/dbraw/zinc/38/48/39/950384839.db2.gz KLNSZOPVIHMGNG-SNVBAGLBSA-N -1 1 386.420 -0.299 20 0 GBADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574746139 950391875 /nfs/dbraw/zinc/39/18/75/950391875.db2.gz LZEDGIKDXZDQPB-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574746139 950391853 /nfs/dbraw/zinc/39/18/53/950391853.db2.gz LZEDGIKDXZDQPB-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574746140 950392069 /nfs/dbraw/zinc/39/20/69/950392069.db2.gz LZEDGIKDXZDQPB-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574746140 950392049 /nfs/dbraw/zinc/39/20/49/950392049.db2.gz LZEDGIKDXZDQPB-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574746733 950397910 /nfs/dbraw/zinc/39/79/10/950397910.db2.gz ORXUALMFOUAETL-MRVPVSSYSA-N -1 1 387.429 -0.188 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574746736 950395865 /nfs/dbraw/zinc/39/58/65/950395865.db2.gz ORXUALMFOUAETL-QMMMGPOBSA-N -1 1 387.429 -0.188 20 0 GBADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574747661 950413719 /nfs/dbraw/zinc/41/37/19/950413719.db2.gz VBUBRAFDGSWZNS-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574747662 950411866 /nfs/dbraw/zinc/41/18/66/950411866.db2.gz VBUBRAFDGSWZNS-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751496 950460686 /nfs/dbraw/zinc/46/06/86/950460686.db2.gz OPQQDBIHJQIERE-JTQLQIEISA-N -1 1 384.404 -0.370 20 0 GBADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751499 950462303 /nfs/dbraw/zinc/46/23/03/950462303.db2.gz OPQQDBIHJQIERE-SNVBAGLBSA-N -1 1 384.404 -0.370 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574752319 950479037 /nfs/dbraw/zinc/47/90/37/950479037.db2.gz ARMKOHRYNNKFFF-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574752319 950479027 /nfs/dbraw/zinc/47/90/27/950479027.db2.gz ARMKOHRYNNKFFF-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574752320 950477877 /nfs/dbraw/zinc/47/78/77/950477877.db2.gz ARMKOHRYNNKFFF-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574752320 950477864 /nfs/dbraw/zinc/47/78/64/950477864.db2.gz ARMKOHRYNNKFFF-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752323 950478887 /nfs/dbraw/zinc/47/88/87/950478887.db2.gz ATKXFWMXLRASLX-JTQLQIEISA-N -1 1 381.400 -0.250 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752324 950477573 /nfs/dbraw/zinc/47/75/73/950477573.db2.gz ATKXFWMXLRASLX-SNVBAGLBSA-N -1 1 381.400 -0.250 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752565 950491947 /nfs/dbraw/zinc/49/19/47/950491947.db2.gz DBYAQNCGKOHQAU-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752568 950490348 /nfs/dbraw/zinc/49/03/48/950490348.db2.gz DBYAQNCGKOHQAU-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752943 950503804 /nfs/dbraw/zinc/50/38/04/950503804.db2.gz GPSIIGBISBLLNQ-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752943 950503783 /nfs/dbraw/zinc/50/37/83/950503783.db2.gz GPSIIGBISBLLNQ-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752944 950505470 /nfs/dbraw/zinc/50/54/70/950505470.db2.gz GPSIIGBISBLLNQ-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752944 950505458 /nfs/dbraw/zinc/50/54/58/950505458.db2.gz GPSIIGBISBLLNQ-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753190 950512871 /nfs/dbraw/zinc/51/28/71/950512871.db2.gz JJHHNHGRPHAKLB-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753190 950512857 /nfs/dbraw/zinc/51/28/57/950512857.db2.gz JJHHNHGRPHAKLB-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753192 950512658 /nfs/dbraw/zinc/51/26/58/950512658.db2.gz JJHHNHGRPHAKLB-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753192 950512639 /nfs/dbraw/zinc/51/26/39/950512639.db2.gz JJHHNHGRPHAKLB-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753406 950525685 /nfs/dbraw/zinc/52/56/85/950525685.db2.gz MMGVQFHRKAYIBD-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753406 950525667 /nfs/dbraw/zinc/52/56/67/950525667.db2.gz MMGVQFHRKAYIBD-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753407 950525736 /nfs/dbraw/zinc/52/57/36/950525736.db2.gz MMGVQFHRKAYIBD-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753407 950525725 /nfs/dbraw/zinc/52/57/25/950525725.db2.gz MMGVQFHRKAYIBD-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc2nnnn2c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753428 950527757 /nfs/dbraw/zinc/52/77/57/950527757.db2.gz NIRAIOBOVYXLFL-SECBINFHSA-N -1 1 380.376 -0.911 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc2nnnn2c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753429 950526836 /nfs/dbraw/zinc/52/68/36/950526836.db2.gz NIRAIOBOVYXLFL-VIFPVBQESA-N -1 1 380.376 -0.911 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753497 950527406 /nfs/dbraw/zinc/52/74/06/950527406.db2.gz NVENLEJTQFZXKC-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753497 950527388 /nfs/dbraw/zinc/52/73/88/950527388.db2.gz NVENLEJTQFZXKC-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753498 950526433 /nfs/dbraw/zinc/52/64/33/950526433.db2.gz NVENLEJTQFZXKC-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753498 950526413 /nfs/dbraw/zinc/52/64/13/950526413.db2.gz NVENLEJTQFZXKC-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753581 950532437 /nfs/dbraw/zinc/53/24/37/950532437.db2.gz PXVFVPWODSMRQS-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753581 950532423 /nfs/dbraw/zinc/53/24/23/950532423.db2.gz PXVFVPWODSMRQS-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753582 950529895 /nfs/dbraw/zinc/52/98/95/950529895.db2.gz PXVFVPWODSMRQS-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753582 950529883 /nfs/dbraw/zinc/52/98/83/950529883.db2.gz PXVFVPWODSMRQS-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574753583 950530554 /nfs/dbraw/zinc/53/05/54/950530554.db2.gz PYKZXWSSAMDNTO-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574753583 950530537 /nfs/dbraw/zinc/53/05/37/950530537.db2.gz PYKZXWSSAMDNTO-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574753584 950530337 /nfs/dbraw/zinc/53/03/37/950530337.db2.gz PYKZXWSSAMDNTO-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574753584 950530320 /nfs/dbraw/zinc/53/03/20/950530320.db2.gz PYKZXWSSAMDNTO-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574753769 950538853 /nfs/dbraw/zinc/53/88/53/950538853.db2.gz RNEUVSBPUSBYEN-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574753769 950538841 /nfs/dbraw/zinc/53/88/41/950538841.db2.gz RNEUVSBPUSBYEN-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574753770 950542018 /nfs/dbraw/zinc/54/20/18/950542018.db2.gz RNEUVSBPUSBYEN-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574753770 950542001 /nfs/dbraw/zinc/54/20/01/950542001.db2.gz RNEUVSBPUSBYEN-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753852 950543251 /nfs/dbraw/zinc/54/32/51/950543251.db2.gz UIDHAJLOPLZMSX-MRVPVSSYSA-N -1 1 387.429 -0.188 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753853 950547452 /nfs/dbraw/zinc/54/74/52/950547452.db2.gz UIDHAJLOPLZMSX-QMMMGPOBSA-N -1 1 387.429 -0.188 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753870 950543055 /nfs/dbraw/zinc/54/30/55/950543055.db2.gz UOYLKOWXIBUWTK-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753871 950547232 /nfs/dbraw/zinc/54/72/32/950547232.db2.gz UOYLKOWXIBUWTK-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753896 950550820 /nfs/dbraw/zinc/55/08/20/950550820.db2.gz VESNMDDYNGNAHS-JTQLQIEISA-N -1 1 381.400 -0.250 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753897 950549501 /nfs/dbraw/zinc/54/95/01/950549501.db2.gz VESNMDDYNGNAHS-SNVBAGLBSA-N -1 1 381.400 -0.250 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574754090 950557977 /nfs/dbraw/zinc/55/79/77/950557977.db2.gz XRIMYCLDXXHTMX-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574754090 950557956 /nfs/dbraw/zinc/55/79/56/950557956.db2.gz XRIMYCLDXXHTMX-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574754091 950560733 /nfs/dbraw/zinc/56/07/33/950560733.db2.gz XRIMYCLDXXHTMX-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574754091 950560719 /nfs/dbraw/zinc/56/07/19/950560719.db2.gz XRIMYCLDXXHTMX-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574754190 950563603 /nfs/dbraw/zinc/56/36/03/950563603.db2.gz ZPZDQBXTZOSOMC-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574754190 950563587 /nfs/dbraw/zinc/56/35/87/950563587.db2.gz ZPZDQBXTZOSOMC-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574754191 950565237 /nfs/dbraw/zinc/56/52/37/950565237.db2.gz ZPZDQBXTZOSOMC-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574754191 950565227 /nfs/dbraw/zinc/56/52/27/950565227.db2.gz ZPZDQBXTZOSOMC-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574758321 950607326 /nfs/dbraw/zinc/60/73/26/950607326.db2.gz AYGCSTZYHCSQKD-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574758321 950607318 /nfs/dbraw/zinc/60/73/18/950607318.db2.gz AYGCSTZYHCSQKD-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574758324 950606644 /nfs/dbraw/zinc/60/66/44/950606644.db2.gz AYGCSTZYHCSQKD-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574758324 950606638 /nfs/dbraw/zinc/60/66/38/950606638.db2.gz AYGCSTZYHCSQKD-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758389 950606706 /nfs/dbraw/zinc/60/67/06/950606706.db2.gz BQRGWFOQFYCOJB-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758390 950607852 /nfs/dbraw/zinc/60/78/52/950607852.db2.gz BQRGWFOQFYCOJB-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758421 950613835 /nfs/dbraw/zinc/61/38/35/950613835.db2.gz CMDRXTPLRRROHX-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758421 950613820 /nfs/dbraw/zinc/61/38/20/950613820.db2.gz CMDRXTPLRRROHX-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758422 950611092 /nfs/dbraw/zinc/61/10/92/950611092.db2.gz CMDRXTPLRRROHX-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758422 950611078 /nfs/dbraw/zinc/61/10/78/950611078.db2.gz CMDRXTPLRRROHX-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574759224 950631868 /nfs/dbraw/zinc/63/18/68/950631868.db2.gz LZQJFXHKQUKDLF-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574759224 950631859 /nfs/dbraw/zinc/63/18/59/950631859.db2.gz LZQJFXHKQUKDLF-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574759227 950632172 /nfs/dbraw/zinc/63/21/72/950632172.db2.gz LZQJFXHKQUKDLF-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574759227 950632163 /nfs/dbraw/zinc/63/21/63/950632163.db2.gz LZQJFXHKQUKDLF-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759253 950631605 /nfs/dbraw/zinc/63/16/05/950631605.db2.gz AHYUUCHLDRZIJV-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759253 950631595 /nfs/dbraw/zinc/63/15/95/950631595.db2.gz AHYUUCHLDRZIJV-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759257 950629920 /nfs/dbraw/zinc/62/99/20/950629920.db2.gz AHYUUCHLDRZIJV-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759257 950629913 /nfs/dbraw/zinc/62/99/13/950629913.db2.gz AHYUUCHLDRZIJV-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574759398 950639069 /nfs/dbraw/zinc/63/90/69/950639069.db2.gz CHRGRTMRYBAQOD-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574759398 950639047 /nfs/dbraw/zinc/63/90/47/950639047.db2.gz CHRGRTMRYBAQOD-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574759399 950639748 /nfs/dbraw/zinc/63/97/48/950639748.db2.gz CHRGRTMRYBAQOD-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574759399 950639738 /nfs/dbraw/zinc/63/97/38/950639738.db2.gz CHRGRTMRYBAQOD-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759811 950647168 /nfs/dbraw/zinc/64/71/68/950647168.db2.gz FQQUHBPDEJGCID-JTQLQIEISA-N -1 1 383.420 -0.032 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759813 950646646 /nfs/dbraw/zinc/64/66/46/950646646.db2.gz FQQUHBPDEJGCID-SNVBAGLBSA-N -1 1 383.420 -0.032 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759846 950645873 /nfs/dbraw/zinc/64/58/73/950645873.db2.gz GCBORGRNPNLMAB-SECBINFHSA-N -1 1 385.388 -0.728 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759850 950648550 /nfs/dbraw/zinc/64/85/50/950648550.db2.gz GCBORGRNPNLMAB-VIFPVBQESA-N -1 1 385.388 -0.728 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759908 950647601 /nfs/dbraw/zinc/64/76/01/950647601.db2.gz GMPZKGMHCJCEML-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759908 950647593 /nfs/dbraw/zinc/64/75/93/950647593.db2.gz GMPZKGMHCJCEML-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759912 950651372 /nfs/dbraw/zinc/65/13/72/950651372.db2.gz GMPZKGMHCJCEML-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759912 950651362 /nfs/dbraw/zinc/65/13/62/950651362.db2.gz GMPZKGMHCJCEML-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760239 950660498 /nfs/dbraw/zinc/66/04/98/950660498.db2.gz HWLICUXKJXYSSH-JTQLQIEISA-N -1 1 384.404 -0.622 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760241 950661723 /nfs/dbraw/zinc/66/17/23/950661723.db2.gz HWLICUXKJXYSSH-SNVBAGLBSA-N -1 1 384.404 -0.622 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760573 950668969 /nfs/dbraw/zinc/66/89/69/950668969.db2.gz JIJNXDXKYAZYMF-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760573 950668960 /nfs/dbraw/zinc/66/89/60/950668960.db2.gz JIJNXDXKYAZYMF-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760574 950668771 /nfs/dbraw/zinc/66/87/71/950668771.db2.gz JIJNXDXKYAZYMF-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760574 950668761 /nfs/dbraw/zinc/66/87/61/950668761.db2.gz JIJNXDXKYAZYMF-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760619 950671732 /nfs/dbraw/zinc/67/17/32/950671732.db2.gz KEELGDKENWWQTL-JTQLQIEISA-N -1 1 385.436 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760621 950672027 /nfs/dbraw/zinc/67/20/27/950672027.db2.gz KEELGDKENWWQTL-SNVBAGLBSA-N -1 1 385.436 -0.002 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760860 950684381 /nfs/dbraw/zinc/68/43/81/950684381.db2.gz NDYYDCXTIRUNAC-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760860 950684367 /nfs/dbraw/zinc/68/43/67/950684367.db2.gz NDYYDCXTIRUNAC-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760861 950683204 /nfs/dbraw/zinc/68/32/04/950683204.db2.gz NDYYDCXTIRUNAC-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760861 950683191 /nfs/dbraw/zinc/68/31/91/950683191.db2.gz NDYYDCXTIRUNAC-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574760926 950689981 /nfs/dbraw/zinc/68/99/81/950689981.db2.gz OPUFXRFEMXEUMV-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574760926 950689962 /nfs/dbraw/zinc/68/99/62/950689962.db2.gz OPUFXRFEMXEUMV-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574760927 950688290 /nfs/dbraw/zinc/68/82/90/950688290.db2.gz OPUFXRFEMXEUMV-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574760927 950688273 /nfs/dbraw/zinc/68/82/73/950688273.db2.gz OPUFXRFEMXEUMV-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760950 950687899 /nfs/dbraw/zinc/68/78/99/950687899.db2.gz PHKWLURRNKHUIB-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760950 950687876 /nfs/dbraw/zinc/68/78/76/950687876.db2.gz PHKWLURRNKHUIB-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760953 950686854 /nfs/dbraw/zinc/68/68/54/950686854.db2.gz PHKWLURRNKHUIB-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760953 950686845 /nfs/dbraw/zinc/68/68/45/950686845.db2.gz PHKWLURRNKHUIB-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574762483 950707801 /nfs/dbraw/zinc/70/78/01/950707801.db2.gz YDLCEMILWDMVBL-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574762483 950707789 /nfs/dbraw/zinc/70/77/89/950707789.db2.gz YDLCEMILWDMVBL-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574762486 950709379 /nfs/dbraw/zinc/70/93/79/950709379.db2.gz YDLCEMILWDMVBL-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574762486 950709363 /nfs/dbraw/zinc/70/93/63/950709363.db2.gz YDLCEMILWDMVBL-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574762493 950709662 /nfs/dbraw/zinc/70/96/62/950709662.db2.gz YEKHNIODDKOXIW-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574762493 950709650 /nfs/dbraw/zinc/70/96/50/950709650.db2.gz YEKHNIODDKOXIW-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574762496 950708920 /nfs/dbraw/zinc/70/89/20/950708920.db2.gz YEKHNIODDKOXIW-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574762496 950708908 /nfs/dbraw/zinc/70/89/08/950708908.db2.gz YEKHNIODDKOXIW-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763425 950714529 /nfs/dbraw/zinc/71/45/29/950714529.db2.gz ATIJZBSEIKLWCF-JTQLQIEISA-N -1 1 384.404 -0.370 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763426 950711852 /nfs/dbraw/zinc/71/18/52/950711852.db2.gz ATIJZBSEIKLWCF-SNVBAGLBSA-N -1 1 384.404 -0.370 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763521 950719430 /nfs/dbraw/zinc/71/94/30/950719430.db2.gz CZNBUZXZZXYPIS-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763521 950719408 /nfs/dbraw/zinc/71/94/08/950719408.db2.gz CZNBUZXZZXYPIS-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763522 950716818 /nfs/dbraw/zinc/71/68/18/950716818.db2.gz CZNBUZXZZXYPIS-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763522 950716809 /nfs/dbraw/zinc/71/68/09/950716809.db2.gz CZNBUZXZZXYPIS-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763565 950721518 /nfs/dbraw/zinc/72/15/18/950721518.db2.gz FECCQRBRQVUIJR-JTQLQIEISA-N -1 1 384.404 -0.622 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763566 950722795 /nfs/dbraw/zinc/72/27/95/950722795.db2.gz FECCQRBRQVUIJR-SNVBAGLBSA-N -1 1 384.404 -0.622 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763681 950725979 /nfs/dbraw/zinc/72/59/79/950725979.db2.gz IAWMSPDLCVEREP-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763681 950725969 /nfs/dbraw/zinc/72/59/69/950725969.db2.gz IAWMSPDLCVEREP-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763682 950726972 /nfs/dbraw/zinc/72/69/72/950726972.db2.gz IAWMSPDLCVEREP-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763682 950726963 /nfs/dbraw/zinc/72/69/63/950726963.db2.gz IAWMSPDLCVEREP-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763972 950737810 /nfs/dbraw/zinc/73/78/10/950737810.db2.gz OACYAYXDFCQSHW-MRVPVSSYSA-N -1 1 380.376 -0.104 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763972 950737794 /nfs/dbraw/zinc/73/77/94/950737794.db2.gz OACYAYXDFCQSHW-MRVPVSSYSA-N -1 1 380.376 -0.104 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763973 950737920 /nfs/dbraw/zinc/73/79/20/950737920.db2.gz OACYAYXDFCQSHW-QMMMGPOBSA-N -1 1 380.376 -0.104 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763973 950737898 /nfs/dbraw/zinc/73/78/98/950737898.db2.gz OACYAYXDFCQSHW-QMMMGPOBSA-N -1 1 380.376 -0.104 20 0 GBADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764485 950754351 /nfs/dbraw/zinc/75/43/51/950754351.db2.gz UHAMAIATQFVBOU-JTQLQIEISA-N -1 1 383.420 -0.493 20 0 GBADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764486 950752002 /nfs/dbraw/zinc/75/20/02/950752002.db2.gz UHAMAIATQFVBOU-SNVBAGLBSA-N -1 1 383.420 -0.493 20 0 GBADMM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765274 950784283 /nfs/dbraw/zinc/78/42/83/950784283.db2.gz AZKNLPPBZDEWKX-SECBINFHSA-N -1 1 385.388 -0.288 20 0 GBADMM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765276 950781170 /nfs/dbraw/zinc/78/11/70/950781170.db2.gz AZKNLPPBZDEWKX-VIFPVBQESA-N -1 1 385.388 -0.288 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnc2ccccc2n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765285 950781818 /nfs/dbraw/zinc/78/18/18/950781818.db2.gz BGRAZHPKALPESV-JTQLQIEISA-N -1 1 391.399 -0.011 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnc2ccccc2n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765287 950780460 /nfs/dbraw/zinc/78/04/60/950780460.db2.gz BGRAZHPKALPESV-SNVBAGLBSA-N -1 1 391.399 -0.011 20 0 GBADMM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574766216 950813801 /nfs/dbraw/zinc/81/38/01/950813801.db2.gz MCVZNOUBDBLNEI-SSDOTTSWSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574766216 950813780 /nfs/dbraw/zinc/81/37/80/950813780.db2.gz MCVZNOUBDBLNEI-SSDOTTSWSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574766279 950812490 /nfs/dbraw/zinc/81/24/90/950812490.db2.gz MCVZNOUBDBLNEI-ZETCQYMHSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574766279 950812479 /nfs/dbraw/zinc/81/24/79/950812479.db2.gz MCVZNOUBDBLNEI-ZETCQYMHSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766782 950826960 /nfs/dbraw/zinc/82/69/60/950826960.db2.gz KVCUYTIDXLEZMX-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766782 950826932 /nfs/dbraw/zinc/82/69/32/950826932.db2.gz KVCUYTIDXLEZMX-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766784 950826022 /nfs/dbraw/zinc/82/60/22/950826022.db2.gz KVCUYTIDXLEZMX-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766784 950826000 /nfs/dbraw/zinc/82/60/00/950826000.db2.gz KVCUYTIDXLEZMX-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767157 950835611 /nfs/dbraw/zinc/83/56/11/950835611.db2.gz MMBRGOFBXNWYKD-JTQLQIEISA-N -1 1 385.436 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767158 950836168 /nfs/dbraw/zinc/83/61/68/950836168.db2.gz MMBRGOFBXNWYKD-SNVBAGLBSA-N -1 1 385.436 -0.002 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767420 950850833 /nfs/dbraw/zinc/85/08/33/950850833.db2.gz OAALCMMTJFWRDM-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767420 950850808 /nfs/dbraw/zinc/85/08/08/950850808.db2.gz OAALCMMTJFWRDM-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767422 950854131 /nfs/dbraw/zinc/85/41/31/950854131.db2.gz OAALCMMTJFWRDM-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767422 950854106 /nfs/dbraw/zinc/85/41/06/950854106.db2.gz OAALCMMTJFWRDM-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CN(C)C(=O)c1nc2ncccn2n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767643 950861077 /nfs/dbraw/zinc/86/10/77/950861077.db2.gz UHAJLHMMXUKFGE-SECBINFHSA-N -1 1 380.376 -0.333 20 0 GBADMM C[C@H](CN(C)C(=O)c1nc2ncccn2n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767643 950861065 /nfs/dbraw/zinc/86/10/65/950861065.db2.gz UHAJLHMMXUKFGE-SECBINFHSA-N -1 1 380.376 -0.333 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nc2ncccn2n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767646 950863268 /nfs/dbraw/zinc/86/32/68/950863268.db2.gz UHAJLHMMXUKFGE-VIFPVBQESA-N -1 1 380.376 -0.333 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nc2ncccn2n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767646 950863255 /nfs/dbraw/zinc/86/32/55/950863255.db2.gz UHAJLHMMXUKFGE-VIFPVBQESA-N -1 1 380.376 -0.333 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574767752 950869027 /nfs/dbraw/zinc/86/90/27/950869027.db2.gz QEYBOVDYLCTKMJ-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574767752 950869009 /nfs/dbraw/zinc/86/90/09/950869009.db2.gz QEYBOVDYLCTKMJ-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574767753 950868587 /nfs/dbraw/zinc/86/85/87/950868587.db2.gz QEYBOVDYLCTKMJ-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574767753 950868566 /nfs/dbraw/zinc/86/85/66/950868566.db2.gz QEYBOVDYLCTKMJ-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767792 950871363 /nfs/dbraw/zinc/87/13/63/950871363.db2.gz QNABCAUVJLTTBC-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767792 950871350 /nfs/dbraw/zinc/87/13/50/950871350.db2.gz QNABCAUVJLTTBC-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767794 950868758 /nfs/dbraw/zinc/86/87/58/950868758.db2.gz QNABCAUVJLTTBC-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767794 950868735 /nfs/dbraw/zinc/86/87/35/950868735.db2.gz QNABCAUVJLTTBC-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768743 950902297 /nfs/dbraw/zinc/90/22/97/950902297.db2.gz WLZYSMIEBJQIIX-SECBINFHSA-N -1 1 386.424 -0.607 20 0 GBADMM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768744 950898020 /nfs/dbraw/zinc/89/80/20/950898020.db2.gz WLZYSMIEBJQIIX-VIFPVBQESA-N -1 1 386.424 -0.607 20 0 GBADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574914644 948754840 /nfs/dbraw/zinc/75/48/40/948754840.db2.gz LSCQTTKTODTELZ-LLVKDONJSA-N -1 1 383.416 -0.024 20 0 GBADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574914645 948755664 /nfs/dbraw/zinc/75/56/64/948755664.db2.gz LSCQTTKTODTELZ-NSHDSACASA-N -1 1 383.416 -0.024 20 0 GBADMM C[C@H](CNC(=O)CCCNC(=O)C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574917778 948827770 /nfs/dbraw/zinc/82/77/70/948827770.db2.gz BGVOMJQCXFRXJZ-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](CNC(=O)CCCNC(=O)C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574917778 948827754 /nfs/dbraw/zinc/82/77/54/948827754.db2.gz BGVOMJQCXFRXJZ-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@@H](CNC(=O)CCCNC(=O)C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574917779 948828692 /nfs/dbraw/zinc/82/86/92/948828692.db2.gz BGVOMJQCXFRXJZ-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@@H](CNC(=O)CCCNC(=O)C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574917779 948828676 /nfs/dbraw/zinc/82/86/76/948828676.db2.gz BGVOMJQCXFRXJZ-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574917942 948826897 /nfs/dbraw/zinc/82/68/97/948826897.db2.gz CWMJYHFXKOWYOH-JTQLQIEISA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574917942 948826879 /nfs/dbraw/zinc/82/68/79/948826879.db2.gz CWMJYHFXKOWYOH-JTQLQIEISA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574917943 948826377 /nfs/dbraw/zinc/82/63/77/948826377.db2.gz CWMJYHFXKOWYOH-SNVBAGLBSA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574917943 948826359 /nfs/dbraw/zinc/82/63/59/948826359.db2.gz CWMJYHFXKOWYOH-SNVBAGLBSA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918352 948846779 /nfs/dbraw/zinc/84/67/79/948846779.db2.gz JQCIYROZUCZUQC-JTQLQIEISA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918352 948846766 /nfs/dbraw/zinc/84/67/66/948846766.db2.gz JQCIYROZUCZUQC-JTQLQIEISA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918353 948845115 /nfs/dbraw/zinc/84/51/15/948845115.db2.gz JQCIYROZUCZUQC-SNVBAGLBSA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918353 948845098 /nfs/dbraw/zinc/84/50/98/948845098.db2.gz JQCIYROZUCZUQC-SNVBAGLBSA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918643 948856999 /nfs/dbraw/zinc/85/69/99/948856999.db2.gz PHFHOSYOJPLETL-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918643 948856988 /nfs/dbraw/zinc/85/69/88/948856988.db2.gz PHFHOSYOJPLETL-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918644 948854349 /nfs/dbraw/zinc/85/43/49/948854349.db2.gz PHFHOSYOJPLETL-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918644 948854332 /nfs/dbraw/zinc/85/43/32/948854332.db2.gz PHFHOSYOJPLETL-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574918655 948852969 /nfs/dbraw/zinc/85/29/69/948852969.db2.gz PQKBMZXZWADRNS-GFCCVEGCSA-N -1 1 383.416 -0.363 20 0 GBADMM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574918656 948854962 /nfs/dbraw/zinc/85/49/62/948854962.db2.gz PQKBMZXZWADRNS-LBPRGKRZSA-N -1 1 383.416 -0.363 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574918821 948858713 /nfs/dbraw/zinc/85/87/13/948858713.db2.gz RDNWFJUHGMYVRJ-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574918821 948858698 /nfs/dbraw/zinc/85/86/98/948858698.db2.gz RDNWFJUHGMYVRJ-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574918822 948860039 /nfs/dbraw/zinc/86/00/39/948860039.db2.gz RDNWFJUHGMYVRJ-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574918822 948860020 /nfs/dbraw/zinc/86/00/20/948860020.db2.gz RDNWFJUHGMYVRJ-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574918977 948862029 /nfs/dbraw/zinc/86/20/29/948862029.db2.gz SMXBYTBIBXFHMU-JTQLQIEISA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574918977 948862025 /nfs/dbraw/zinc/86/20/25/948862025.db2.gz SMXBYTBIBXFHMU-JTQLQIEISA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574918978 948865707 /nfs/dbraw/zinc/86/57/07/948865707.db2.gz SMXBYTBIBXFHMU-SNVBAGLBSA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574918978 948865690 /nfs/dbraw/zinc/86/56/90/948865690.db2.gz SMXBYTBIBXFHMU-SNVBAGLBSA-N -1 1 382.450 -0.354 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574919011 948865299 /nfs/dbraw/zinc/86/52/99/948865299.db2.gz UDIMDGARYLWHCG-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574919012 948862294 /nfs/dbraw/zinc/86/22/94/948862294.db2.gz UDIMDGARYLWHCG-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574919181 948868924 /nfs/dbraw/zinc/86/89/24/948868924.db2.gz VTMVKWYTKPMSFU-JTQLQIEISA-N -1 1 382.450 -0.932 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574919182 948869889 /nfs/dbraw/zinc/86/98/89/948869889.db2.gz VTMVKWYTKPMSFU-SNVBAGLBSA-N -1 1 382.450 -0.932 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574919187 948869832 /nfs/dbraw/zinc/86/98/32/948869832.db2.gz WBDXVUSZMCMQJE-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574919187 948869818 /nfs/dbraw/zinc/86/98/18/948869818.db2.gz WBDXVUSZMCMQJE-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574919188 948869172 /nfs/dbraw/zinc/86/91/72/948869172.db2.gz WBDXVUSZMCMQJE-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574919188 948869155 /nfs/dbraw/zinc/86/91/55/948869155.db2.gz WBDXVUSZMCMQJE-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574919215 948871508 /nfs/dbraw/zinc/87/15/08/948871508.db2.gz WSOLUCUVXNEGRJ-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574919215 948871494 /nfs/dbraw/zinc/87/14/94/948871494.db2.gz WSOLUCUVXNEGRJ-JTQLQIEISA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574919216 948871802 /nfs/dbraw/zinc/87/18/02/948871802.db2.gz WSOLUCUVXNEGRJ-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574919216 948871778 /nfs/dbraw/zinc/87/17/78/948871778.db2.gz WSOLUCUVXNEGRJ-SNVBAGLBSA-N -1 1 382.450 -0.578 20 0 GBADMM C[C@@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCCCC1=O ZINC001574920140 948886229 /nfs/dbraw/zinc/88/62/29/948886229.db2.gz DKZNBFRJARRORB-JTQLQIEISA-N -1 1 390.404 -0.964 20 0 GBADMM C[C@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCCCC1=O ZINC001574920141 948885494 /nfs/dbraw/zinc/88/54/94/948885494.db2.gz DKZNBFRJARRORB-SNVBAGLBSA-N -1 1 390.404 -0.964 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574923025 948931801 /nfs/dbraw/zinc/93/18/01/948931801.db2.gz BOIOSAZFIUQIKP-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574923025 948931779 /nfs/dbraw/zinc/93/17/79/948931779.db2.gz BOIOSAZFIUQIKP-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574923026 948932908 /nfs/dbraw/zinc/93/29/08/948932908.db2.gz BOIOSAZFIUQIKP-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574923026 948932899 /nfs/dbraw/zinc/93/28/99/948932899.db2.gz BOIOSAZFIUQIKP-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923039 948930453 /nfs/dbraw/zinc/93/04/53/948930453.db2.gz BSDXOOGLYWLVML-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923039 948930445 /nfs/dbraw/zinc/93/04/45/948930445.db2.gz BSDXOOGLYWLVML-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CNC(=O)CCn1cnnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923040 948931669 /nfs/dbraw/zinc/93/16/69/948931669.db2.gz BSDXOOGLYWLVML-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CNC(=O)CCn1cnnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923040 948931659 /nfs/dbraw/zinc/93/16/59/948931659.db2.gz BSDXOOGLYWLVML-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnnn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574923115 948934905 /nfs/dbraw/zinc/93/49/05/948934905.db2.gz DUQJUVCEFRUWML-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574923115 948934894 /nfs/dbraw/zinc/93/48/94/948934894.db2.gz DUQJUVCEFRUWML-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CNC(=O)CCn1cnnn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574923116 948934472 /nfs/dbraw/zinc/93/44/72/948934472.db2.gz DUQJUVCEFRUWML-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CNC(=O)CCn1cnnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574923116 948934460 /nfs/dbraw/zinc/93/44/60/948934460.db2.gz DUQJUVCEFRUWML-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574923139 948936713 /nfs/dbraw/zinc/93/67/13/948936713.db2.gz FNFVRSNCKCFTQI-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574923139 948936703 /nfs/dbraw/zinc/93/67/03/948936703.db2.gz FNFVRSNCKCFTQI-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574923140 948934938 /nfs/dbraw/zinc/93/49/38/948934938.db2.gz FNFVRSNCKCFTQI-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574923140 948934930 /nfs/dbraw/zinc/93/49/30/948934930.db2.gz FNFVRSNCKCFTQI-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574923149 948935750 /nfs/dbraw/zinc/93/57/50/948935750.db2.gz FRCYUSVJASZHND-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574923149 948935737 /nfs/dbraw/zinc/93/57/37/948935737.db2.gz FRCYUSVJASZHND-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574923150 948936659 /nfs/dbraw/zinc/93/66/59/948936659.db2.gz FRCYUSVJASZHND-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574923150 948936650 /nfs/dbraw/zinc/93/66/50/948936650.db2.gz FRCYUSVJASZHND-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574923161 948938877 /nfs/dbraw/zinc/93/88/77/948938877.db2.gz FUNZUQBGGRMXPC-LLVKDONJSA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574923161 948938865 /nfs/dbraw/zinc/93/88/65/948938865.db2.gz FUNZUQBGGRMXPC-LLVKDONJSA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574923162 948939765 /nfs/dbraw/zinc/93/97/65/948939765.db2.gz FUNZUQBGGRMXPC-NSHDSACASA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574923162 948939752 /nfs/dbraw/zinc/93/97/52/948939752.db2.gz FUNZUQBGGRMXPC-NSHDSACASA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574923281 948941947 /nfs/dbraw/zinc/94/19/47/948941947.db2.gz IXIUUXUNPNQWDX-GFCCVEGCSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574923282 948941273 /nfs/dbraw/zinc/94/12/73/948941273.db2.gz IXIUUXUNPNQWDX-LBPRGKRZSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1nccs1 ZINC001574923355 948944343 /nfs/dbraw/zinc/94/43/43/948944343.db2.gz KMYNYNVVLJSXBM-MRVPVSSYSA-N -1 1 376.402 -0.105 20 0 GBADMM C[C@@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1nccs1 ZINC001574923356 948944072 /nfs/dbraw/zinc/94/40/72/948944072.db2.gz KMYNYNVVLJSXBM-QMMMGPOBSA-N -1 1 376.402 -0.105 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574923413 948949167 /nfs/dbraw/zinc/94/91/67/948949167.db2.gz LUILICXZJZWAFZ-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574923413 948949154 /nfs/dbraw/zinc/94/91/54/948949154.db2.gz LUILICXZJZWAFZ-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574923414 948949076 /nfs/dbraw/zinc/94/90/76/948949076.db2.gz LUILICXZJZWAFZ-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574923414 948949061 /nfs/dbraw/zinc/94/90/61/948949061.db2.gz LUILICXZJZWAFZ-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574923453 948947871 /nfs/dbraw/zinc/94/78/71/948947871.db2.gz MUFBBIBOELFUTQ-LLVKDONJSA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574923454 948949940 /nfs/dbraw/zinc/94/99/40/948949940.db2.gz MUFBBIBOELFUTQ-NSHDSACASA-N -1 1 384.404 -0.755 20 0 GBADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574923495 948953325 /nfs/dbraw/zinc/95/33/25/948953325.db2.gz OFFCNLYYQWZEMO-SECBINFHSA-N -1 1 376.812 -0.065 20 0 GBADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574923496 948953173 /nfs/dbraw/zinc/95/31/73/948953173.db2.gz OFFCNLYYQWZEMO-VIFPVBQESA-N -1 1 376.812 -0.065 20 0 GBADMM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574923567 948955549 /nfs/dbraw/zinc/95/55/49/948955549.db2.gz PPPIGBHUJLBPTI-GFCCVEGCSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574923567 948955538 /nfs/dbraw/zinc/95/55/38/948955538.db2.gz PPPIGBHUJLBPTI-GFCCVEGCSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574923568 948954780 /nfs/dbraw/zinc/95/47/80/948954780.db2.gz PPPIGBHUJLBPTI-LBPRGKRZSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574923568 948954774 /nfs/dbraw/zinc/95/47/74/948954774.db2.gz PPPIGBHUJLBPTI-LBPRGKRZSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574923686 948957033 /nfs/dbraw/zinc/95/70/33/948957033.db2.gz REYBPCYYIPBCRY-GFCCVEGCSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574923686 948957026 /nfs/dbraw/zinc/95/70/26/948957026.db2.gz REYBPCYYIPBCRY-GFCCVEGCSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574923688 948955784 /nfs/dbraw/zinc/95/57/84/948955784.db2.gz REYBPCYYIPBCRY-LBPRGKRZSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574923688 948955771 /nfs/dbraw/zinc/95/57/71/948955771.db2.gz REYBPCYYIPBCRY-LBPRGKRZSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574923701 948957729 /nfs/dbraw/zinc/95/77/29/948957729.db2.gz RKGCUPZBDPKKJM-LLVKDONJSA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574923701 948957709 /nfs/dbraw/zinc/95/77/09/948957709.db2.gz RKGCUPZBDPKKJM-LLVKDONJSA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574923703 948955849 /nfs/dbraw/zinc/95/58/49/948955849.db2.gz RKGCUPZBDPKKJM-NSHDSACASA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574923703 948955840 /nfs/dbraw/zinc/95/58/40/948955840.db2.gz RKGCUPZBDPKKJM-NSHDSACASA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574923806 948958562 /nfs/dbraw/zinc/95/85/62/948958562.db2.gz RXBALPUUYKKJLO-LLVKDONJSA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574923806 948958548 /nfs/dbraw/zinc/95/85/48/948958548.db2.gz RXBALPUUYKKJLO-LLVKDONJSA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574923808 948958974 /nfs/dbraw/zinc/95/89/74/948958974.db2.gz RXBALPUUYKKJLO-NSHDSACASA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574923808 948958965 /nfs/dbraw/zinc/95/89/65/948958965.db2.gz RXBALPUUYKKJLO-NSHDSACASA-N -1 1 384.404 -0.532 20 0 GBADMM C[C@@H](CNC(=O)CCn1cnnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574924136 948967939 /nfs/dbraw/zinc/96/79/39/948967939.db2.gz XFKJKNJQAOEFPM-LURJTMIESA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@H](CNC(=O)CCn1cnnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574924137 948966800 /nfs/dbraw/zinc/96/68/00/948966800.db2.gz XFKJKNJQAOEFPM-ZCFIWIBFSA-N -1 1 383.829 -0.030 20 0 GBADMM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574924278 948970690 /nfs/dbraw/zinc/97/06/90/948970690.db2.gz YOLLUTYYCLMIAI-GFCCVEGCSA-N -1 1 383.416 -0.505 20 0 GBADMM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574924279 948968812 /nfs/dbraw/zinc/96/88/12/948968812.db2.gz YOLLUTYYCLMIAI-LBPRGKRZSA-N -1 1 383.416 -0.505 20 0 GBADMM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574924316 948971073 /nfs/dbraw/zinc/97/10/73/948971073.db2.gz ZKCPYRQYAAHGNX-GFCCVEGCSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574924316 948971067 /nfs/dbraw/zinc/97/10/67/948971067.db2.gz ZKCPYRQYAAHGNX-GFCCVEGCSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574924317 948969890 /nfs/dbraw/zinc/96/98/90/948969890.db2.gz ZKCPYRQYAAHGNX-LBPRGKRZSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574924317 948969883 /nfs/dbraw/zinc/96/98/83/948969883.db2.gz ZKCPYRQYAAHGNX-LBPRGKRZSA-N -1 1 383.416 -0.150 20 0 GBADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574925788 948976778 /nfs/dbraw/zinc/97/67/78/948976778.db2.gz DOFQMDNWKUVMGN-GFCCVEGCSA-N -1 1 387.448 -0.212 20 0 GBADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574925790 948978157 /nfs/dbraw/zinc/97/81/57/948978157.db2.gz DOFQMDNWKUVMGN-LBPRGKRZSA-N -1 1 387.448 -0.212 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926577 949006737 /nfs/dbraw/zinc/00/67/37/949006737.db2.gz AAWWSYOLYHSGPE-LLVKDONJSA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926577 949006724 /nfs/dbraw/zinc/00/67/24/949006724.db2.gz AAWWSYOLYHSGPE-LLVKDONJSA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926578 949008821 /nfs/dbraw/zinc/00/88/21/949008821.db2.gz AAWWSYOLYHSGPE-NSHDSACASA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926578 949008804 /nfs/dbraw/zinc/00/88/04/949008804.db2.gz AAWWSYOLYHSGPE-NSHDSACASA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926671 949014878 /nfs/dbraw/zinc/01/48/78/949014878.db2.gz CHTHGXWCOIAJLK-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926671 949014869 /nfs/dbraw/zinc/01/48/69/949014869.db2.gz CHTHGXWCOIAJLK-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926672 949018092 /nfs/dbraw/zinc/01/80/92/949018092.db2.gz CHTHGXWCOIAJLK-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926672 949018072 /nfs/dbraw/zinc/01/80/72/949018072.db2.gz CHTHGXWCOIAJLK-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574926916 949029353 /nfs/dbraw/zinc/02/93/53/949029353.db2.gz CZYDDDOUFZACFN-LLVKDONJSA-N -1 1 381.400 -0.575 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574926920 949032166 /nfs/dbraw/zinc/03/21/66/949032166.db2.gz CZYDDDOUFZACFN-NSHDSACASA-N -1 1 381.400 -0.575 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574926962 949031164 /nfs/dbraw/zinc/03/11/64/949031164.db2.gz DLLLXUBANPPMAK-LLVKDONJSA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574926962 949031146 /nfs/dbraw/zinc/03/11/46/949031146.db2.gz DLLLXUBANPPMAK-LLVKDONJSA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574926963 949029152 /nfs/dbraw/zinc/02/91/52/949029152.db2.gz DLLLXUBANPPMAK-NSHDSACASA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574926963 949029136 /nfs/dbraw/zinc/02/91/36/949029136.db2.gz DLLLXUBANPPMAK-NSHDSACASA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574926966 949029514 /nfs/dbraw/zinc/02/95/14/949029514.db2.gz DPCKDTQZJBTRLR-LLVKDONJSA-N -1 1 388.436 -0.952 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574926967 949032833 /nfs/dbraw/zinc/03/28/33/949032833.db2.gz DPCKDTQZJBTRLR-NSHDSACASA-N -1 1 388.436 -0.952 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926976 949030798 /nfs/dbraw/zinc/03/07/98/949030798.db2.gz DULGLOMZUSEGQB-LLVKDONJSA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926976 949030786 /nfs/dbraw/zinc/03/07/86/949030786.db2.gz DULGLOMZUSEGQB-LLVKDONJSA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926977 949032643 /nfs/dbraw/zinc/03/26/43/949032643.db2.gz DULGLOMZUSEGQB-NSHDSACASA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926977 949032627 /nfs/dbraw/zinc/03/26/27/949032627.db2.gz DULGLOMZUSEGQB-NSHDSACASA-N -1 1 388.436 -0.374 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574926996 949034117 /nfs/dbraw/zinc/03/41/17/949034117.db2.gz FKJPIXITVLSIJK-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574926996 949034099 /nfs/dbraw/zinc/03/40/99/949034099.db2.gz FKJPIXITVLSIJK-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574926997 949033950 /nfs/dbraw/zinc/03/39/50/949033950.db2.gz FKJPIXITVLSIJK-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574926997 949033937 /nfs/dbraw/zinc/03/39/37/949033937.db2.gz FKJPIXITVLSIJK-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574927114 949035646 /nfs/dbraw/zinc/03/56/46/949035646.db2.gz FPCJXAOMAJOXEL-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574927114 949035626 /nfs/dbraw/zinc/03/56/26/949035626.db2.gz FPCJXAOMAJOXEL-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574927126 949033836 /nfs/dbraw/zinc/03/38/36/949033836.db2.gz FPCJXAOMAJOXEL-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574927126 949033817 /nfs/dbraw/zinc/03/38/17/949033817.db2.gz FPCJXAOMAJOXEL-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574927762 949046953 /nfs/dbraw/zinc/04/69/53/949046953.db2.gz KRUBUQGCSFPOHF-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574927762 949046931 /nfs/dbraw/zinc/04/69/31/949046931.db2.gz KRUBUQGCSFPOHF-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574927765 949046502 /nfs/dbraw/zinc/04/65/02/949046502.db2.gz KRUBUQGCSFPOHF-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574927765 949046481 /nfs/dbraw/zinc/04/64/81/949046481.db2.gz KRUBUQGCSFPOHF-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574927771 949045782 /nfs/dbraw/zinc/04/57/82/949045782.db2.gz KTLQOLAWRXYETF-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574927771 949045763 /nfs/dbraw/zinc/04/57/63/949045763.db2.gz KTLQOLAWRXYETF-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574927774 949045835 /nfs/dbraw/zinc/04/58/35/949045835.db2.gz KTLQOLAWRXYETF-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574927774 949045817 /nfs/dbraw/zinc/04/58/17/949045817.db2.gz KTLQOLAWRXYETF-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574927835 949048200 /nfs/dbraw/zinc/04/82/00/949048200.db2.gz LSAHWNQYDVLYDI-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574927835 949048183 /nfs/dbraw/zinc/04/81/83/949048183.db2.gz LSAHWNQYDVLYDI-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574927837 949049185 /nfs/dbraw/zinc/04/91/85/949049185.db2.gz LSAHWNQYDVLYDI-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574927837 949049171 /nfs/dbraw/zinc/04/91/71/949049171.db2.gz LSAHWNQYDVLYDI-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574927900 949048758 /nfs/dbraw/zinc/04/87/58/949048758.db2.gz MLFKRCWCXMNAKA-JTQLQIEISA-N -1 1 375.437 -0.595 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574927906 949048063 /nfs/dbraw/zinc/04/80/63/949048063.db2.gz MLFKRCWCXMNAKA-SNVBAGLBSA-N -1 1 375.437 -0.595 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574928205 949055409 /nfs/dbraw/zinc/05/54/09/949055409.db2.gz MXOUHQQKOLZFEE-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574928205 949055389 /nfs/dbraw/zinc/05/53/89/949055389.db2.gz MXOUHQQKOLZFEE-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574928206 949052722 /nfs/dbraw/zinc/05/27/22/949052722.db2.gz MXOUHQQKOLZFEE-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574928206 949052702 /nfs/dbraw/zinc/05/27/02/949052702.db2.gz MXOUHQQKOLZFEE-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574928278 949053133 /nfs/dbraw/zinc/05/31/33/949053133.db2.gz OHBZZJVDOVRYRE-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574928278 949053110 /nfs/dbraw/zinc/05/31/10/949053110.db2.gz OHBZZJVDOVRYRE-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574928279 949053531 /nfs/dbraw/zinc/05/35/31/949053531.db2.gz OHBZZJVDOVRYRE-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574928279 949053515 /nfs/dbraw/zinc/05/35/15/949053515.db2.gz OHBZZJVDOVRYRE-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574928623 949058707 /nfs/dbraw/zinc/05/87/07/949058707.db2.gz PRRPGWZETVTZDE-SECBINFHSA-N -1 1 387.429 -0.513 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574928624 949057407 /nfs/dbraw/zinc/05/74/07/949057407.db2.gz PRRPGWZETVTZDE-VIFPVBQESA-N -1 1 387.429 -0.513 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574928701 949061901 /nfs/dbraw/zinc/06/19/01/949061901.db2.gz RDJOKBGDAJIIQW-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574928701 949061880 /nfs/dbraw/zinc/06/18/80/949061880.db2.gz RDJOKBGDAJIIQW-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574928702 949062441 /nfs/dbraw/zinc/06/24/41/949062441.db2.gz RDJOKBGDAJIIQW-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574928702 949062424 /nfs/dbraw/zinc/06/24/24/949062424.db2.gz RDJOKBGDAJIIQW-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574928850 949062180 /nfs/dbraw/zinc/06/21/80/949062180.db2.gz RNIUBXFDIJGNAZ-LLVKDONJSA-N -1 1 387.448 -0.308 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574928851 949062122 /nfs/dbraw/zinc/06/21/22/949062122.db2.gz RNIUBXFDIJGNAZ-NSHDSACASA-N -1 1 387.448 -0.308 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574928890 949063181 /nfs/dbraw/zinc/06/31/81/949063181.db2.gz SDRAGHZBZMZUCQ-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574928890 949063160 /nfs/dbraw/zinc/06/31/60/949063160.db2.gz SDRAGHZBZMZUCQ-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574928891 949066299 /nfs/dbraw/zinc/06/62/99/949066299.db2.gz SDRAGHZBZMZUCQ-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574928891 949066281 /nfs/dbraw/zinc/06/62/81/949066281.db2.gz SDRAGHZBZMZUCQ-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574928931 949070012 /nfs/dbraw/zinc/07/00/12/949070012.db2.gz TVKGBHDNAVLOEW-LLVKDONJSA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574928931 949069996 /nfs/dbraw/zinc/06/99/96/949069996.db2.gz TVKGBHDNAVLOEW-LLVKDONJSA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574928932 949069532 /nfs/dbraw/zinc/06/95/32/949069532.db2.gz TVKGBHDNAVLOEW-NSHDSACASA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574928932 949069513 /nfs/dbraw/zinc/06/95/13/949069513.db2.gz TVKGBHDNAVLOEW-NSHDSACASA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574928971 949068696 /nfs/dbraw/zinc/06/86/96/949068696.db2.gz UUKIBDSQFPGANV-JTQLQIEISA-N -1 1 375.437 -0.452 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574928972 949069898 /nfs/dbraw/zinc/06/98/98/949069898.db2.gz UUKIBDSQFPGANV-SNVBAGLBSA-N -1 1 375.437 -0.452 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574929003 949072106 /nfs/dbraw/zinc/07/21/06/949072106.db2.gz VHTYHTXRKPXTSO-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574929004 949070554 /nfs/dbraw/zinc/07/05/54/949070554.db2.gz VHTYHTXRKPXTSO-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574929011 949073730 /nfs/dbraw/zinc/07/37/30/949073730.db2.gz VNUIHYZHFJEGGQ-LLVKDONJSA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574929011 949073711 /nfs/dbraw/zinc/07/37/11/949073711.db2.gz VNUIHYZHFJEGGQ-LLVKDONJSA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574929012 949074088 /nfs/dbraw/zinc/07/40/88/949074088.db2.gz VNUIHYZHFJEGGQ-NSHDSACASA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574929012 949074068 /nfs/dbraw/zinc/07/40/68/949074068.db2.gz VNUIHYZHFJEGGQ-NSHDSACASA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574929037 949070814 /nfs/dbraw/zinc/07/08/14/949070814.db2.gz WKXRJQZONBPJFD-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574929037 949070795 /nfs/dbraw/zinc/07/07/95/949070795.db2.gz WKXRJQZONBPJFD-JTQLQIEISA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574929038 949072577 /nfs/dbraw/zinc/07/25/77/949072577.db2.gz WKXRJQZONBPJFD-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574929038 949072557 /nfs/dbraw/zinc/07/25/57/949072557.db2.gz WKXRJQZONBPJFD-SNVBAGLBSA-N -1 1 375.437 -0.017 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574929041 949073542 /nfs/dbraw/zinc/07/35/42/949073542.db2.gz WMSHGTIMASLKPQ-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574929041 949073524 /nfs/dbraw/zinc/07/35/24/949073524.db2.gz WMSHGTIMASLKPQ-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574929042 949070930 /nfs/dbraw/zinc/07/09/30/949070930.db2.gz WMSHGTIMASLKPQ-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574929042 949070913 /nfs/dbraw/zinc/07/09/13/949070913.db2.gz WMSHGTIMASLKPQ-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574929073 949075964 /nfs/dbraw/zinc/07/59/64/949075964.db2.gz XNQCGNHFPDGWQB-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574929073 949075943 /nfs/dbraw/zinc/07/59/43/949075943.db2.gz XNQCGNHFPDGWQB-JTQLQIEISA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574929074 949075466 /nfs/dbraw/zinc/07/54/66/949075466.db2.gz XNQCGNHFPDGWQB-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574929074 949075444 /nfs/dbraw/zinc/07/54/44/949075444.db2.gz XNQCGNHFPDGWQB-SNVBAGLBSA-N -1 1 382.388 -0.602 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574929131 949077039 /nfs/dbraw/zinc/07/70/39/949077039.db2.gz YYWRUTDUPASZMN-LLVKDONJSA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574929131 949077017 /nfs/dbraw/zinc/07/70/17/949077017.db2.gz YYWRUTDUPASZMN-LLVKDONJSA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574929132 949076831 /nfs/dbraw/zinc/07/68/31/949076831.db2.gz YYWRUTDUPASZMN-NSHDSACASA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574929132 949076807 /nfs/dbraw/zinc/07/68/07/949076807.db2.gz YYWRUTDUPASZMN-NSHDSACASA-N -1 1 388.436 -0.597 20 0 GBADMM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574929175 949081207 /nfs/dbraw/zinc/08/12/07/949081207.db2.gz AKVWIEJRHASKII-JTQLQIEISA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574929175 949081190 /nfs/dbraw/zinc/08/11/90/949081190.db2.gz AKVWIEJRHASKII-JTQLQIEISA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574929176 949081943 /nfs/dbraw/zinc/08/19/43/949081943.db2.gz AKVWIEJRHASKII-SNVBAGLBSA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574929176 949081923 /nfs/dbraw/zinc/08/19/23/949081923.db2.gz AKVWIEJRHASKII-SNVBAGLBSA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccncc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574929221 949086593 /nfs/dbraw/zinc/08/65/93/949086593.db2.gz AVVZYRVDEBRJMP-GFCCVEGCSA-N -1 1 383.416 -0.145 20 0 GBADMM C[C@H](CNC(=O)COCc1ccncc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574929222 949087151 /nfs/dbraw/zinc/08/71/51/949087151.db2.gz AVVZYRVDEBRJMP-LBPRGKRZSA-N -1 1 383.416 -0.145 20 0 GBADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574929255 949087691 /nfs/dbraw/zinc/08/76/91/949087691.db2.gz BNVYQRKFMKIGNX-NEPJUHHUSA-N -1 1 376.421 -0.562 20 0 GBADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574929256 949085334 /nfs/dbraw/zinc/08/53/34/949085334.db2.gz BNVYQRKFMKIGNX-NWDGAFQWSA-N -1 1 376.421 -0.562 20 0 GBADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574929257 949088697 /nfs/dbraw/zinc/08/86/97/949088697.db2.gz BNVYQRKFMKIGNX-RYUDHWBXSA-N -1 1 376.421 -0.562 20 0 GBADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574929258 949085875 /nfs/dbraw/zinc/08/58/75/949085875.db2.gz BNVYQRKFMKIGNX-VXGBXAGGSA-N -1 1 376.421 -0.562 20 0 GBADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574929511 949095700 /nfs/dbraw/zinc/09/57/00/949095700.db2.gz FUHDCMQZGPPPOP-NEPJUHHUSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574929511 949095675 /nfs/dbraw/zinc/09/56/75/949095675.db2.gz FUHDCMQZGPPPOP-NEPJUHHUSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574929512 949094878 /nfs/dbraw/zinc/09/48/78/949094878.db2.gz FUHDCMQZGPPPOP-NWDGAFQWSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574929512 949094859 /nfs/dbraw/zinc/09/48/59/949094859.db2.gz FUHDCMQZGPPPOP-NWDGAFQWSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574929513 949094820 /nfs/dbraw/zinc/09/48/20/949094820.db2.gz FUHDCMQZGPPPOP-RYUDHWBXSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574929513 949094799 /nfs/dbraw/zinc/09/47/99/949094799.db2.gz FUHDCMQZGPPPOP-RYUDHWBXSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574929514 949096884 /nfs/dbraw/zinc/09/68/84/949096884.db2.gz FUHDCMQZGPPPOP-VXGBXAGGSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574929514 949096863 /nfs/dbraw/zinc/09/68/63/949096863.db2.gz FUHDCMQZGPPPOP-VXGBXAGGSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574929758 949100246 /nfs/dbraw/zinc/10/02/46/949100246.db2.gz HJBORZPEJNEURM-NEPJUHHUSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574929758 949100231 /nfs/dbraw/zinc/10/02/31/949100231.db2.gz HJBORZPEJNEURM-NEPJUHHUSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574929761 949099244 /nfs/dbraw/zinc/09/92/44/949099244.db2.gz HJBORZPEJNEURM-NWDGAFQWSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574929761 949099227 /nfs/dbraw/zinc/09/92/27/949099227.db2.gz HJBORZPEJNEURM-NWDGAFQWSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574929763 949101741 /nfs/dbraw/zinc/10/17/41/949101741.db2.gz HJBORZPEJNEURM-RYUDHWBXSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574929763 949101730 /nfs/dbraw/zinc/10/17/30/949101730.db2.gz HJBORZPEJNEURM-RYUDHWBXSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574929765 949100392 /nfs/dbraw/zinc/10/03/92/949100392.db2.gz HJBORZPEJNEURM-VXGBXAGGSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574929765 949100381 /nfs/dbraw/zinc/10/03/81/949100381.db2.gz HJBORZPEJNEURM-VXGBXAGGSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574930288 949104792 /nfs/dbraw/zinc/10/47/92/949104792.db2.gz KONXZJCONUIYAI-NEPJUHHUSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574930291 949105343 /nfs/dbraw/zinc/10/53/43/949105343.db2.gz KONXZJCONUIYAI-NWDGAFQWSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574930581 949105486 /nfs/dbraw/zinc/10/54/86/949105486.db2.gz KONXZJCONUIYAI-RYUDHWBXSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574930586 949105303 /nfs/dbraw/zinc/10/53/03/949105303.db2.gz KONXZJCONUIYAI-VXGBXAGGSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574932055 949130539 /nfs/dbraw/zinc/13/05/39/949130539.db2.gz UIMBIAXOOKGHHH-JTQLQIEISA-N -1 1 385.388 -0.687 20 0 GBADMM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574932056 949130841 /nfs/dbraw/zinc/13/08/41/949130841.db2.gz UIMBIAXOOKGHHH-SNVBAGLBSA-N -1 1 385.388 -0.687 20 0 GBADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574932276 949134338 /nfs/dbraw/zinc/13/43/38/949134338.db2.gz XDDAPJFMZSTULL-NEPJUHHUSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574932276 949134321 /nfs/dbraw/zinc/13/43/21/949134321.db2.gz XDDAPJFMZSTULL-NEPJUHHUSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574932277 949135319 /nfs/dbraw/zinc/13/53/19/949135319.db2.gz XDDAPJFMZSTULL-NWDGAFQWSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574932277 949135308 /nfs/dbraw/zinc/13/53/08/949135308.db2.gz XDDAPJFMZSTULL-NWDGAFQWSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574932278 949133436 /nfs/dbraw/zinc/13/34/36/949133436.db2.gz XDDAPJFMZSTULL-RYUDHWBXSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574932278 949133423 /nfs/dbraw/zinc/13/34/23/949133423.db2.gz XDDAPJFMZSTULL-RYUDHWBXSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574932279 949135402 /nfs/dbraw/zinc/13/54/02/949135402.db2.gz XDDAPJFMZSTULL-VXGBXAGGSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574932279 949135390 /nfs/dbraw/zinc/13/53/90/949135390.db2.gz XDDAPJFMZSTULL-VXGBXAGGSA-N -1 1 376.421 -0.207 20 0 GBADMM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574932378 949141129 /nfs/dbraw/zinc/14/11/29/949141129.db2.gz YRYIFWHXOPFBLA-JTQLQIEISA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574932378 949141109 /nfs/dbraw/zinc/14/11/09/949141109.db2.gz YRYIFWHXOPFBLA-JTQLQIEISA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574932379 949140910 /nfs/dbraw/zinc/14/09/10/949140910.db2.gz YRYIFWHXOPFBLA-SNVBAGLBSA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574932379 949140895 /nfs/dbraw/zinc/14/08/95/949140895.db2.gz YRYIFWHXOPFBLA-SNVBAGLBSA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574932410 949140762 /nfs/dbraw/zinc/14/07/62/949140762.db2.gz ZQAIQLCMLMGZSC-JTQLQIEISA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574932410 949140745 /nfs/dbraw/zinc/14/07/45/949140745.db2.gz ZQAIQLCMLMGZSC-JTQLQIEISA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574932411 949141231 /nfs/dbraw/zinc/14/12/31/949141231.db2.gz ZQAIQLCMLMGZSC-SNVBAGLBSA-N -1 1 385.388 -0.109 20 0 GBADMM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574932411 949141214 /nfs/dbraw/zinc/14/12/14/949141214.db2.gz ZQAIQLCMLMGZSC-SNVBAGLBSA-N -1 1 385.388 -0.109 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934001 949147592 /nfs/dbraw/zinc/14/75/92/949147592.db2.gz AJAVZWAJCGTIOZ-JTQLQIEISA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934001 949147579 /nfs/dbraw/zinc/14/75/79/949147579.db2.gz AJAVZWAJCGTIOZ-JTQLQIEISA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934003 949146519 /nfs/dbraw/zinc/14/65/19/949146519.db2.gz AJAVZWAJCGTIOZ-SNVBAGLBSA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934003 949146511 /nfs/dbraw/zinc/14/65/11/949146511.db2.gz AJAVZWAJCGTIOZ-SNVBAGLBSA-N -1 1 382.450 -0.579 20 0 GBADMM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934035 949145600 /nfs/dbraw/zinc/14/56/00/949145600.db2.gz ATHKYLQIANUVHA-SECBINFHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934035 949145586 /nfs/dbraw/zinc/14/55/86/949145586.db2.gz ATHKYLQIANUVHA-SECBINFHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934036 949146080 /nfs/dbraw/zinc/14/60/80/949146080.db2.gz ATHKYLQIANUVHA-VIFPVBQESA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934036 949146064 /nfs/dbraw/zinc/14/60/64/949146064.db2.gz ATHKYLQIANUVHA-VIFPVBQESA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934091 949144712 /nfs/dbraw/zinc/14/47/12/949144712.db2.gz BRSSRMBCWCFMBM-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934091 949144697 /nfs/dbraw/zinc/14/46/97/949144697.db2.gz BRSSRMBCWCFMBM-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934093 949149297 /nfs/dbraw/zinc/14/92/97/949149297.db2.gz BRSSRMBCWCFMBM-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934093 949149281 /nfs/dbraw/zinc/14/92/81/949149281.db2.gz BRSSRMBCWCFMBM-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)CS(C)(=O)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574934098 949151949 /nfs/dbraw/zinc/15/19/49/949151949.db2.gz BSUQJZHTOSMWTD-RXMQYKEDSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@@H](CNC(=O)CS(C)(=O)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574934100 949152223 /nfs/dbraw/zinc/15/22/23/949152223.db2.gz BSUQJZHTOSMWTD-YFKPBYRVSA-N -1 1 379.855 -0.062 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574934140 949150399 /nfs/dbraw/zinc/15/03/99/949150399.db2.gz CFIZELGKRVXNEJ-JTQLQIEISA-N -1 1 382.450 -0.934 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574934141 949149969 /nfs/dbraw/zinc/14/99/69/949149969.db2.gz CFIZELGKRVXNEJ-SNVBAGLBSA-N -1 1 382.450 -0.934 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574934217 949151907 /nfs/dbraw/zinc/15/19/07/949151907.db2.gz CMECJCRBECFTDS-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574934217 949151894 /nfs/dbraw/zinc/15/18/94/949151894.db2.gz CMECJCRBECFTDS-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574934218 949151013 /nfs/dbraw/zinc/15/10/13/949151013.db2.gz CMECJCRBECFTDS-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574934218 949151004 /nfs/dbraw/zinc/15/10/04/949151004.db2.gz CMECJCRBECFTDS-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574934224 949150504 /nfs/dbraw/zinc/15/05/04/949150504.db2.gz CPJMVRPRFOPTLV-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574934224 949150497 /nfs/dbraw/zinc/15/04/97/949150497.db2.gz CPJMVRPRFOPTLV-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574934226 949150542 /nfs/dbraw/zinc/15/05/42/949150542.db2.gz CPJMVRPRFOPTLV-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574934226 949150533 /nfs/dbraw/zinc/15/05/33/949150533.db2.gz CPJMVRPRFOPTLV-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574934232 949151236 /nfs/dbraw/zinc/15/12/36/949151236.db2.gz CPOJTFXJKCLHIF-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574934232 949151229 /nfs/dbraw/zinc/15/12/29/949151229.db2.gz CPOJTFXJKCLHIF-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574934235 949151466 /nfs/dbraw/zinc/15/14/66/949151466.db2.gz CPOJTFXJKCLHIF-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574934235 949151450 /nfs/dbraw/zinc/15/14/50/949151450.db2.gz CPOJTFXJKCLHIF-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574934248 949148958 /nfs/dbraw/zinc/14/89/58/949148958.db2.gz CVYSUPFRDVWLSB-JTQLQIEISA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574934248 949148946 /nfs/dbraw/zinc/14/89/46/949148946.db2.gz CVYSUPFRDVWLSB-JTQLQIEISA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574934250 949151294 /nfs/dbraw/zinc/15/12/94/949151294.db2.gz CVYSUPFRDVWLSB-SNVBAGLBSA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574934250 949151287 /nfs/dbraw/zinc/15/12/87/949151287.db2.gz CVYSUPFRDVWLSB-SNVBAGLBSA-N -1 1 382.450 -0.579 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934286 949151143 /nfs/dbraw/zinc/15/11/43/949151143.db2.gz DHKNNLRAWNLLSC-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934286 949151134 /nfs/dbraw/zinc/15/11/34/949151134.db2.gz DHKNNLRAWNLLSC-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934288 949153697 /nfs/dbraw/zinc/15/36/97/949153697.db2.gz DHKNNLRAWNLLSC-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934288 949153681 /nfs/dbraw/zinc/15/36/81/949153681.db2.gz DHKNNLRAWNLLSC-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934293 949156424 /nfs/dbraw/zinc/15/64/24/949156424.db2.gz DKZIXXHPPLUDHZ-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934293 949156412 /nfs/dbraw/zinc/15/64/12/949156412.db2.gz DKZIXXHPPLUDHZ-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934295 949156803 /nfs/dbraw/zinc/15/68/03/949156803.db2.gz DKZIXXHPPLUDHZ-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934295 949156786 /nfs/dbraw/zinc/15/67/86/949156786.db2.gz DKZIXXHPPLUDHZ-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574934358 949153865 /nfs/dbraw/zinc/15/38/65/949153865.db2.gz GCWKMTFSYBNRJJ-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574934358 949153847 /nfs/dbraw/zinc/15/38/47/949153847.db2.gz GCWKMTFSYBNRJJ-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574934359 949156690 /nfs/dbraw/zinc/15/66/90/949156690.db2.gz GCWKMTFSYBNRJJ-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574934359 949156675 /nfs/dbraw/zinc/15/66/75/949156675.db2.gz GCWKMTFSYBNRJJ-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574934400 949159380 /nfs/dbraw/zinc/15/93/80/949159380.db2.gz HHEHKGTUGDWYSM-JTQLQIEISA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574934401 949157984 /nfs/dbraw/zinc/15/79/84/949157984.db2.gz HHEHKGTUGDWYSM-SNVBAGLBSA-N -1 1 382.450 -0.579 20 0 GBADMM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574934468 949164041 /nfs/dbraw/zinc/16/40/41/949164041.db2.gz ISOPQTWWASBEGT-SECBINFHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574934468 949164033 /nfs/dbraw/zinc/16/40/33/949164033.db2.gz ISOPQTWWASBEGT-SECBINFHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574934469 949162782 /nfs/dbraw/zinc/16/27/82/949162782.db2.gz ISOPQTWWASBEGT-VIFPVBQESA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574934469 949162772 /nfs/dbraw/zinc/16/27/72/949162772.db2.gz ISOPQTWWASBEGT-VIFPVBQESA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574934470 949165034 /nfs/dbraw/zinc/16/50/34/949165034.db2.gz IUJSRIVIIANLFO-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574934470 949165024 /nfs/dbraw/zinc/16/50/24/949165024.db2.gz IUJSRIVIIANLFO-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574934471 949165192 /nfs/dbraw/zinc/16/51/92/949165192.db2.gz IUJSRIVIIANLFO-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574934471 949165177 /nfs/dbraw/zinc/16/51/77/949165177.db2.gz IUJSRIVIIANLFO-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574934512 949163016 /nfs/dbraw/zinc/16/30/16/949163016.db2.gz JTSQIXDLBLNOAS-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574934513 949164985 /nfs/dbraw/zinc/16/49/85/949164985.db2.gz JTSQIXDLBLNOAS-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574934514 949163087 /nfs/dbraw/zinc/16/30/87/949163087.db2.gz JXKVNHOTKZEVOS-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574934514 949163078 /nfs/dbraw/zinc/16/30/78/949163078.db2.gz JXKVNHOTKZEVOS-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574934515 949162824 /nfs/dbraw/zinc/16/28/24/949162824.db2.gz JXKVNHOTKZEVOS-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574934515 949162814 /nfs/dbraw/zinc/16/28/14/949162814.db2.gz JXKVNHOTKZEVOS-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934630 949170981 /nfs/dbraw/zinc/17/09/81/949170981.db2.gz MPPOMXUTIPCBRR-SECBINFHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934630 949170968 /nfs/dbraw/zinc/17/09/68/949170968.db2.gz MPPOMXUTIPCBRR-SECBINFHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934631 949171312 /nfs/dbraw/zinc/17/13/12/949171312.db2.gz MPPOMXUTIPCBRR-VIFPVBQESA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934631 949171298 /nfs/dbraw/zinc/17/12/98/949171298.db2.gz MPPOMXUTIPCBRR-VIFPVBQESA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](CNC(=O)COCc1nncn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934698 949176325 /nfs/dbraw/zinc/17/63/25/949176325.db2.gz OQANJEHSHPQSBH-JTQLQIEISA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@H](CNC(=O)COCc1nncn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934698 949176314 /nfs/dbraw/zinc/17/63/14/949176314.db2.gz OQANJEHSHPQSBH-JTQLQIEISA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)COCc1nncn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934699 949174739 /nfs/dbraw/zinc/17/47/39/949174739.db2.gz OQANJEHSHPQSBH-SNVBAGLBSA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)COCc1nncn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934699 949174729 /nfs/dbraw/zinc/17/47/29/949174729.db2.gz OQANJEHSHPQSBH-SNVBAGLBSA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574934704 949176848 /nfs/dbraw/zinc/17/68/48/949176848.db2.gz OUKVFAKDHTVMSP-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574934704 949176841 /nfs/dbraw/zinc/17/68/41/949176841.db2.gz OUKVFAKDHTVMSP-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574934705 949176202 /nfs/dbraw/zinc/17/62/02/949176202.db2.gz OUKVFAKDHTVMSP-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574934705 949176187 /nfs/dbraw/zinc/17/61/87/949176187.db2.gz OUKVFAKDHTVMSP-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934730 949174279 /nfs/dbraw/zinc/17/42/79/949174279.db2.gz PLJRQLQHFYLYCN-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934730 949174260 /nfs/dbraw/zinc/17/42/60/949174260.db2.gz PLJRQLQHFYLYCN-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934731 949175403 /nfs/dbraw/zinc/17/54/03/949175403.db2.gz PLJRQLQHFYLYCN-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934731 949175389 /nfs/dbraw/zinc/17/53/89/949175389.db2.gz PLJRQLQHFYLYCN-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934740 949176627 /nfs/dbraw/zinc/17/66/27/949176627.db2.gz PQJREPOUJKDKIH-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934740 949176617 /nfs/dbraw/zinc/17/66/17/949176617.db2.gz PQJREPOUJKDKIH-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934741 949174349 /nfs/dbraw/zinc/17/43/49/949174349.db2.gz PQJREPOUJKDKIH-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934741 949174336 /nfs/dbraw/zinc/17/43/36/949174336.db2.gz PQJREPOUJKDKIH-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934788 949179373 /nfs/dbraw/zinc/17/93/73/949179373.db2.gz QUTWALORPYZWRG-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934788 949179363 /nfs/dbraw/zinc/17/93/63/949179363.db2.gz QUTWALORPYZWRG-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934789 949179293 /nfs/dbraw/zinc/17/92/93/949179293.db2.gz QUTWALORPYZWRG-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934789 949179278 /nfs/dbraw/zinc/17/92/78/949179278.db2.gz QUTWALORPYZWRG-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934794 949180734 /nfs/dbraw/zinc/18/07/34/949180734.db2.gz QXSDUZDWIWXVJZ-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934794 949180727 /nfs/dbraw/zinc/18/07/27/949180727.db2.gz QXSDUZDWIWXVJZ-JTQLQIEISA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934795 949177774 /nfs/dbraw/zinc/17/77/74/949177774.db2.gz QXSDUZDWIWXVJZ-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934795 949177764 /nfs/dbraw/zinc/17/77/64/949177764.db2.gz QXSDUZDWIWXVJZ-SNVBAGLBSA-N -1 1 382.450 -0.356 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574934808 949179649 /nfs/dbraw/zinc/17/96/49/949179649.db2.gz RNIOVGRFXXYITP-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574934808 949179635 /nfs/dbraw/zinc/17/96/35/949179635.db2.gz RNIOVGRFXXYITP-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574934809 949178249 /nfs/dbraw/zinc/17/82/49/949178249.db2.gz RNIOVGRFXXYITP-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574934809 949178237 /nfs/dbraw/zinc/17/82/37/949178237.db2.gz RNIOVGRFXXYITP-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574934848 949178334 /nfs/dbraw/zinc/17/83/34/949178334.db2.gz SKJMVRYASIUGNY-JTQLQIEISA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574934848 949178325 /nfs/dbraw/zinc/17/83/25/949178325.db2.gz SKJMVRYASIUGNY-JTQLQIEISA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574934849 949180083 /nfs/dbraw/zinc/18/00/83/949180083.db2.gz SKJMVRYASIUGNY-SNVBAGLBSA-N -1 1 382.450 -0.579 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574934849 949180068 /nfs/dbraw/zinc/18/00/68/949180068.db2.gz SKJMVRYASIUGNY-SNVBAGLBSA-N -1 1 382.450 -0.579 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574934908 949183525 /nfs/dbraw/zinc/18/35/25/949183525.db2.gz UTBJGGDIEZCJHT-LLVKDONJSA-N -1 1 386.420 -0.807 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574934909 949184601 /nfs/dbraw/zinc/18/46/01/949184601.db2.gz UTBJGGDIEZCJHT-NSHDSACASA-N -1 1 386.420 -0.807 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934932 949185172 /nfs/dbraw/zinc/18/51/72/949185172.db2.gz VKYRAOKHQBWEFA-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934932 949185160 /nfs/dbraw/zinc/18/51/60/949185160.db2.gz VKYRAOKHQBWEFA-LLVKDONJSA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934933 949181824 /nfs/dbraw/zinc/18/18/24/949181824.db2.gz VKYRAOKHQBWEFA-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934933 949181812 /nfs/dbraw/zinc/18/18/12/949181812.db2.gz VKYRAOKHQBWEFA-NSHDSACASA-N -1 1 386.420 -0.229 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574934946 949187987 /nfs/dbraw/zinc/18/79/87/949187987.db2.gz VTYZMLKGNYGISL-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574934946 949187975 /nfs/dbraw/zinc/18/79/75/949187975.db2.gz VTYZMLKGNYGISL-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574934947 949188366 /nfs/dbraw/zinc/18/83/66/949188366.db2.gz VTYZMLKGNYGISL-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574934947 949188354 /nfs/dbraw/zinc/18/83/54/949188354.db2.gz VTYZMLKGNYGISL-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574934966 949187528 /nfs/dbraw/zinc/18/75/28/949187528.db2.gz WBXRFXWPJDYBMW-LLVKDONJSA-N -1 1 386.420 -0.807 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574934967 949188974 /nfs/dbraw/zinc/18/89/74/949188974.db2.gz WBXRFXWPJDYBMW-NSHDSACASA-N -1 1 386.420 -0.807 20 0 GBADMM C[C@H](CNC(=O)CS(C)(=O)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574934982 949188954 /nfs/dbraw/zinc/18/89/54/949188954.db2.gz WHSZQCKRSMREAH-RXMQYKEDSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@H](CNC(=O)CS(C)(=O)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574934982 949188944 /nfs/dbraw/zinc/18/89/44/949188944.db2.gz WHSZQCKRSMREAH-RXMQYKEDSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@@H](CNC(=O)CS(C)(=O)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574934983 949189244 /nfs/dbraw/zinc/18/92/44/949189244.db2.gz WHSZQCKRSMREAH-YFKPBYRVSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@@H](CNC(=O)CS(C)(=O)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574934983 949189230 /nfs/dbraw/zinc/18/92/30/949189230.db2.gz WHSZQCKRSMREAH-YFKPBYRVSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@@H](CNC(=O)COCc1nncn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574935024 949191853 /nfs/dbraw/zinc/19/18/53/949191853.db2.gz XDPOSKJVQMAJML-JTQLQIEISA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)COCc1nncn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574935024 949191846 /nfs/dbraw/zinc/19/18/46/949191846.db2.gz XDPOSKJVQMAJML-JTQLQIEISA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@H](CNC(=O)COCc1nncn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574935025 949193138 /nfs/dbraw/zinc/19/31/38/949193138.db2.gz XDPOSKJVQMAJML-SNVBAGLBSA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@H](CNC(=O)COCc1nncn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574935025 949193116 /nfs/dbraw/zinc/19/31/16/949193116.db2.gz XDPOSKJVQMAJML-SNVBAGLBSA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@H](CNC(=O)CS(C)(=O)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574935034 949191355 /nfs/dbraw/zinc/19/13/55/949191355.db2.gz XMALQBMDZIDPRT-RXMQYKEDSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@H](CNC(=O)CS(C)(=O)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574935034 949191344 /nfs/dbraw/zinc/19/13/44/949191344.db2.gz XMALQBMDZIDPRT-RXMQYKEDSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@@H](CNC(=O)CS(C)(=O)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574935035 949191317 /nfs/dbraw/zinc/19/13/17/949191317.db2.gz XMALQBMDZIDPRT-YFKPBYRVSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@@H](CNC(=O)CS(C)(=O)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574935035 949191311 /nfs/dbraw/zinc/19/13/11/949191311.db2.gz XMALQBMDZIDPRT-YFKPBYRVSA-N -1 1 379.855 -0.062 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574935098 949196153 /nfs/dbraw/zinc/19/61/53/949196153.db2.gz ZBSIDSBZSFWVTH-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574935098 949196137 /nfs/dbraw/zinc/19/61/37/949196137.db2.gz ZBSIDSBZSFWVTH-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574935099 949195350 /nfs/dbraw/zinc/19/53/50/949195350.db2.gz ZBSIDSBZSFWVTH-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574935099 949195340 /nfs/dbraw/zinc/19/53/40/949195340.db2.gz ZBSIDSBZSFWVTH-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1nncn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574935106 949195721 /nfs/dbraw/zinc/19/57/21/949195721.db2.gz ZFSMOFUFFTVFMX-JTQLQIEISA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@H](CNC(=O)COCc1nncn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574935106 949195705 /nfs/dbraw/zinc/19/57/05/949195705.db2.gz ZFSMOFUFFTVFMX-JTQLQIEISA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)COCc1nncn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574935107 949195873 /nfs/dbraw/zinc/19/58/73/949195873.db2.gz ZFSMOFUFFTVFMX-SNVBAGLBSA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)COCc1nncn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574935107 949195857 /nfs/dbraw/zinc/19/58/57/949195857.db2.gz ZFSMOFUFFTVFMX-SNVBAGLBSA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935112 949197450 /nfs/dbraw/zinc/19/74/50/949197450.db2.gz ZIRRSWBJLMDJKW-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935113 949196679 /nfs/dbraw/zinc/19/66/79/949196679.db2.gz ZIRRSWBJLMDJKW-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574935120 949194577 /nfs/dbraw/zinc/19/45/77/949194577.db2.gz ZRNXCDJDDYXTKT-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574935120 949194563 /nfs/dbraw/zinc/19/45/63/949194563.db2.gz ZRNXCDJDDYXTKT-LLVKDONJSA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574935121 949195226 /nfs/dbraw/zinc/19/52/26/949195226.db2.gz ZRNXCDJDDYXTKT-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574935121 949195211 /nfs/dbraw/zinc/19/52/11/949195211.db2.gz ZRNXCDJDDYXTKT-NSHDSACASA-N -1 1 386.420 -0.452 20 0 GBADMM C[C@H](CNC(=O)COCc1nncn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574935134 949197030 /nfs/dbraw/zinc/19/70/30/949197030.db2.gz ZZFKLGVIVWCMGU-JTQLQIEISA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@H](CNC(=O)COCc1nncn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574935134 949197017 /nfs/dbraw/zinc/19/70/17/949197017.db2.gz ZZFKLGVIVWCMGU-JTQLQIEISA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)COCc1nncn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574935135 949196243 /nfs/dbraw/zinc/19/62/43/949196243.db2.gz ZZFKLGVIVWCMGU-SNVBAGLBSA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)COCc1nncn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574935135 949196224 /nfs/dbraw/zinc/19/62/24/949196224.db2.gz ZZFKLGVIVWCMGU-SNVBAGLBSA-N -1 1 387.408 -0.834 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574935645 949205112 /nfs/dbraw/zinc/20/51/12/949205112.db2.gz DXMDEWNZJTVCHO-JTQLQIEISA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574935645 949205093 /nfs/dbraw/zinc/20/50/93/949205093.db2.gz DXMDEWNZJTVCHO-JTQLQIEISA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574935647 949207135 /nfs/dbraw/zinc/20/71/35/949207135.db2.gz DXMDEWNZJTVCHO-SNVBAGLBSA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574935647 949207121 /nfs/dbraw/zinc/20/71/21/949207121.db2.gz DXMDEWNZJTVCHO-SNVBAGLBSA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574935715 949205551 /nfs/dbraw/zinc/20/55/51/949205551.db2.gz FVKALQQTJCVTTP-JTQLQIEISA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574935715 949205533 /nfs/dbraw/zinc/20/55/33/949205533.db2.gz FVKALQQTJCVTTP-JTQLQIEISA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574935718 949207035 /nfs/dbraw/zinc/20/70/35/949207035.db2.gz FVKALQQTJCVTTP-SNVBAGLBSA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574935718 949207017 /nfs/dbraw/zinc/20/70/17/949207017.db2.gz FVKALQQTJCVTTP-SNVBAGLBSA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574936847 949222600 /nfs/dbraw/zinc/22/26/00/949222600.db2.gz LNMTVNLXHPTWDM-JTQLQIEISA-N -1 1 381.400 -0.663 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574936849 949222103 /nfs/dbraw/zinc/22/21/03/949222103.db2.gz LNMTVNLXHPTWDM-SNVBAGLBSA-N -1 1 381.400 -0.663 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574937774 949231905 /nfs/dbraw/zinc/23/19/05/949231905.db2.gz QLOFNERZGDZSRP-JTQLQIEISA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574937774 949231885 /nfs/dbraw/zinc/23/18/85/949231885.db2.gz QLOFNERZGDZSRP-JTQLQIEISA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574937776 949228537 /nfs/dbraw/zinc/22/85/37/949228537.db2.gz QLOFNERZGDZSRP-SNVBAGLBSA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574937776 949228516 /nfs/dbraw/zinc/22/85/16/949228516.db2.gz QLOFNERZGDZSRP-SNVBAGLBSA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574938499 949246065 /nfs/dbraw/zinc/24/60/65/949246065.db2.gz XDDLHOPCSJLFOO-JTQLQIEISA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574938499 949246042 /nfs/dbraw/zinc/24/60/42/949246042.db2.gz XDDLHOPCSJLFOO-JTQLQIEISA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574938500 949248789 /nfs/dbraw/zinc/24/87/89/949248789.db2.gz XDDLHOPCSJLFOO-SNVBAGLBSA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574938500 949248769 /nfs/dbraw/zinc/24/87/69/949248769.db2.gz XDDLHOPCSJLFOO-SNVBAGLBSA-N -1 1 381.400 -0.085 20 0 GBADMM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941260 949300426 /nfs/dbraw/zinc/30/04/26/949300426.db2.gz CKDYJWPRVOVRAK-LLVKDONJSA-N -1 1 382.432 -0.229 20 0 GBADMM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941262 949302005 /nfs/dbraw/zinc/30/20/05/949302005.db2.gz CKDYJWPRVOVRAK-NSHDSACASA-N -1 1 382.432 -0.229 20 0 GBADMM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574944317 949385380 /nfs/dbraw/zinc/38/53/80/949385380.db2.gz ACOUYSQGJDSFHK-SECBINFHSA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574944317 949385372 /nfs/dbraw/zinc/38/53/72/949385372.db2.gz ACOUYSQGJDSFHK-SECBINFHSA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574944318 949386895 /nfs/dbraw/zinc/38/68/95/949386895.db2.gz ACOUYSQGJDSFHK-VIFPVBQESA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574944318 949386877 /nfs/dbraw/zinc/38/68/77/949386877.db2.gz ACOUYSQGJDSFHK-VIFPVBQESA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574944331 949384631 /nfs/dbraw/zinc/38/46/31/949384631.db2.gz AGJIEGZMULYNBL-SECBINFHSA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574944331 949384609 /nfs/dbraw/zinc/38/46/09/949384609.db2.gz AGJIEGZMULYNBL-SECBINFHSA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574944332 949385640 /nfs/dbraw/zinc/38/56/40/949385640.db2.gz AGJIEGZMULYNBL-VIFPVBQESA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574944332 949385618 /nfs/dbraw/zinc/38/56/18/949385618.db2.gz AGJIEGZMULYNBL-VIFPVBQESA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574944523 949389488 /nfs/dbraw/zinc/38/94/88/949389488.db2.gz DJPPBQCMAHNZTD-SECBINFHSA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574944523 949389464 /nfs/dbraw/zinc/38/94/64/949389464.db2.gz DJPPBQCMAHNZTD-SECBINFHSA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574944524 949390994 /nfs/dbraw/zinc/39/09/94/949390994.db2.gz DJPPBQCMAHNZTD-VIFPVBQESA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574944524 949390973 /nfs/dbraw/zinc/39/09/73/949390973.db2.gz DJPPBQCMAHNZTD-VIFPVBQESA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574944539 949394898 /nfs/dbraw/zinc/39/48/98/949394898.db2.gz DSZKHQBQHKOZQS-SECBINFHSA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574944539 949394877 /nfs/dbraw/zinc/39/48/77/949394877.db2.gz DSZKHQBQHKOZQS-SECBINFHSA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574944540 949395075 /nfs/dbraw/zinc/39/50/75/949395075.db2.gz DSZKHQBQHKOZQS-VIFPVBQESA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574944540 949395054 /nfs/dbraw/zinc/39/50/54/949395054.db2.gz DSZKHQBQHKOZQS-VIFPVBQESA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574945503 949409445 /nfs/dbraw/zinc/40/94/45/949409445.db2.gz LCADWZLDOJJESH-SECBINFHSA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574945503 949409433 /nfs/dbraw/zinc/40/94/33/949409433.db2.gz LCADWZLDOJJESH-SECBINFHSA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574945504 949412392 /nfs/dbraw/zinc/41/23/92/949412392.db2.gz LCADWZLDOJJESH-VIFPVBQESA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574945504 949412366 /nfs/dbraw/zinc/41/23/66/949412366.db2.gz LCADWZLDOJJESH-VIFPVBQESA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574945761 949419965 /nfs/dbraw/zinc/41/99/65/949419965.db2.gz NQLAQDJOPJIMPX-SECBINFHSA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574945761 949419949 /nfs/dbraw/zinc/41/99/49/949419949.db2.gz NQLAQDJOPJIMPX-SECBINFHSA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574945762 949418424 /nfs/dbraw/zinc/41/84/24/949418424.db2.gz NQLAQDJOPJIMPX-VIFPVBQESA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574945762 949418415 /nfs/dbraw/zinc/41/84/15/949418415.db2.gz NQLAQDJOPJIMPX-VIFPVBQESA-N -1 1 383.420 -0.178 20 0 GBADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574945811 949419761 /nfs/dbraw/zinc/41/97/61/949419761.db2.gz ORDFGIZLNJNGBU-LLVKDONJSA-N -1 1 382.432 -0.229 20 0 GBADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574945812 949420323 /nfs/dbraw/zinc/42/03/23/949420323.db2.gz ORDFGIZLNJNGBU-NSHDSACASA-N -1 1 382.432 -0.229 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)CC1(C)OCCO1 ZINC001574945963 949424511 /nfs/dbraw/zinc/42/45/11/949424511.db2.gz QJVXSWKBAGXDCR-SECBINFHSA-N -1 1 379.377 -0.966 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)CC1(C)OCCO1 ZINC001574945964 949422928 /nfs/dbraw/zinc/42/29/28/949422928.db2.gz QJVXSWKBAGXDCR-VIFPVBQESA-N -1 1 379.377 -0.966 20 0 GBADMM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574945995 949424885 /nfs/dbraw/zinc/42/48/85/949424885.db2.gz RJTIMVFJZJCHNB-SECBINFHSA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574945995 949424866 /nfs/dbraw/zinc/42/48/66/949424866.db2.gz RJTIMVFJZJCHNB-SECBINFHSA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574945996 949423113 /nfs/dbraw/zinc/42/31/13/949423113.db2.gz RJTIMVFJZJCHNB-VIFPVBQESA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574945996 949423106 /nfs/dbraw/zinc/42/31/06/949423106.db2.gz RJTIMVFJZJCHNB-VIFPVBQESA-N -1 1 386.424 -0.443 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)OC(C)(C)C ZINC001574946357 949434161 /nfs/dbraw/zinc/43/41/61/949434161.db2.gz VIEBLKJQKKFRNB-MRVPVSSYSA-N -1 1 379.377 -0.777 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)OC(C)(C)C ZINC001574946359 949433181 /nfs/dbraw/zinc/43/31/81/949433181.db2.gz VIEBLKJQKKFRNB-QMMMGPOBSA-N -1 1 379.377 -0.777 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N(C)c1ccccc1 ZINC001574947036 949443856 /nfs/dbraw/zinc/44/38/56/949443856.db2.gz YPTJLRFTDXTSLL-LLVKDONJSA-N -1 1 384.400 -0.230 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N(C)c1ccccc1 ZINC001574947039 949444389 /nfs/dbraw/zinc/44/43/89/949444389.db2.gz YPTJLRFTDXTSLL-NSHDSACASA-N -1 1 384.400 -0.230 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCc2ccccc21 ZINC001574947089 949443770 /nfs/dbraw/zinc/44/37/70/949443770.db2.gz ZERKTCHPSDPJQB-LLVKDONJSA-N -1 1 396.411 -0.304 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCc2ccccc21 ZINC001574947091 949445033 /nfs/dbraw/zinc/44/50/33/949445033.db2.gz ZERKTCHPSDPJQB-NSHDSACASA-N -1 1 396.411 -0.304 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574947411 949448367 /nfs/dbraw/zinc/44/83/67/949448367.db2.gz ALEOUGYMCAZZND-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574947411 949448351 /nfs/dbraw/zinc/44/83/51/949448351.db2.gz ALEOUGYMCAZZND-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574947412 949446297 /nfs/dbraw/zinc/44/62/97/949446297.db2.gz ALEOUGYMCAZZND-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574947412 949446275 /nfs/dbraw/zinc/44/62/75/949446275.db2.gz ALEOUGYMCAZZND-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574947901 949456279 /nfs/dbraw/zinc/45/62/79/949456279.db2.gz FSBVTOJTOQDTBS-MRVPVSSYSA-N -1 1 378.347 -0.171 20 0 GBADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574947903 949457848 /nfs/dbraw/zinc/45/78/48/949457848.db2.gz FSBVTOJTOQDTBS-QMMMGPOBSA-N -1 1 378.347 -0.171 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574948465 949461988 /nfs/dbraw/zinc/46/19/88/949461988.db2.gz JBXOPNQUPNVXJA-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574948465 949461975 /nfs/dbraw/zinc/46/19/75/949461975.db2.gz JBXOPNQUPNVXJA-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574948466 949464171 /nfs/dbraw/zinc/46/41/71/949464171.db2.gz JBXOPNQUPNVXJA-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574948466 949464156 /nfs/dbraw/zinc/46/41/56/949464156.db2.gz JBXOPNQUPNVXJA-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574948509 949465857 /nfs/dbraw/zinc/46/58/57/949465857.db2.gz KPZDBGKFEXHFRS-JTQLQIEISA-N -1 1 383.420 -0.588 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574948510 949465557 /nfs/dbraw/zinc/46/55/57/949465557.db2.gz KPZDBGKFEXHFRS-SNVBAGLBSA-N -1 1 383.420 -0.588 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574948664 949466101 /nfs/dbraw/zinc/46/61/01/949466101.db2.gz LVTKSXWUQSWHJG-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574948664 949466090 /nfs/dbraw/zinc/46/60/90/949466090.db2.gz LVTKSXWUQSWHJG-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574948668 949466331 /nfs/dbraw/zinc/46/63/31/949466331.db2.gz LVTKSXWUQSWHJG-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574948668 949466305 /nfs/dbraw/zinc/46/63/05/949466305.db2.gz LVTKSXWUQSWHJG-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnnn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574948715 949472731 /nfs/dbraw/zinc/47/27/31/949472731.db2.gz MCHKXRFJJVVTSZ-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnnn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574948715 949472716 /nfs/dbraw/zinc/47/27/16/949472716.db2.gz MCHKXRFJJVVTSZ-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1cnnn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574948723 949472295 /nfs/dbraw/zinc/47/22/95/949472295.db2.gz MCHKXRFJJVVTSZ-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1cnnn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574948723 949472285 /nfs/dbraw/zinc/47/22/85/949472285.db2.gz MCHKXRFJJVVTSZ-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574948855 949476173 /nfs/dbraw/zinc/47/61/73/949476173.db2.gz NVGVQUZTPIMGDP-JTQLQIEISA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574948855 949476162 /nfs/dbraw/zinc/47/61/62/949476162.db2.gz NVGVQUZTPIMGDP-JTQLQIEISA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574948856 949477097 /nfs/dbraw/zinc/47/70/97/949477097.db2.gz NVGVQUZTPIMGDP-SNVBAGLBSA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574948856 949477087 /nfs/dbraw/zinc/47/70/87/949477087.db2.gz NVGVQUZTPIMGDP-SNVBAGLBSA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574948869 949475523 /nfs/dbraw/zinc/47/55/23/949475523.db2.gz NYNVKOFYHPZSGP-JTQLQIEISA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574948869 949475502 /nfs/dbraw/zinc/47/55/02/949475502.db2.gz NYNVKOFYHPZSGP-JTQLQIEISA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574948872 949477829 /nfs/dbraw/zinc/47/78/29/949477829.db2.gz NYNVKOFYHPZSGP-SNVBAGLBSA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574948872 949477812 /nfs/dbraw/zinc/47/78/12/949477812.db2.gz NYNVKOFYHPZSGP-SNVBAGLBSA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnnn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949063 949481349 /nfs/dbraw/zinc/48/13/49/949481349.db2.gz QBCUCBHGOXKCER-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1cnnn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949064 949481321 /nfs/dbraw/zinc/48/13/21/949481321.db2.gz QBCUCBHGOXKCER-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnnn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949226 949487122 /nfs/dbraw/zinc/48/71/22/949487122.db2.gz RVOHCPVJWNHCEK-LURJTMIESA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnnn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949226 949487114 /nfs/dbraw/zinc/48/71/14/949487114.db2.gz RVOHCPVJWNHCEK-LURJTMIESA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@H](CNC(=O)Cn1cnnn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949228 949484678 /nfs/dbraw/zinc/48/46/78/949484678.db2.gz RVOHCPVJWNHCEK-ZCFIWIBFSA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@H](CNC(=O)Cn1cnnn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949228 949484665 /nfs/dbraw/zinc/48/46/65/949484665.db2.gz RVOHCPVJWNHCEK-ZCFIWIBFSA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnnn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949278 949486284 /nfs/dbraw/zinc/48/62/84/949486284.db2.gz SBQOTFUFCCGLOL-LURJTMIESA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@H](CNC(=O)Cn1cnnn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949279 949484315 /nfs/dbraw/zinc/48/43/15/949484315.db2.gz SBQOTFUFCCGLOL-ZCFIWIBFSA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnnn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949298 949485280 /nfs/dbraw/zinc/48/52/80/949485280.db2.gz SOLJWBRMAJXIFY-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnnn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949298 949485267 /nfs/dbraw/zinc/48/52/67/949485267.db2.gz SOLJWBRMAJXIFY-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1cnnn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949299 949484000 /nfs/dbraw/zinc/48/40/00/949484000.db2.gz SOLJWBRMAJXIFY-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1cnnn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949299 949483989 /nfs/dbraw/zinc/48/39/89/949483989.db2.gz SOLJWBRMAJXIFY-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC001574949428 949494130 /nfs/dbraw/zinc/49/41/30/949494130.db2.gz WFQNHGHJBGIXRU-JTQLQIEISA-N -1 1 390.429 -0.218 20 0 GBADMM C[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC001574949429 949495412 /nfs/dbraw/zinc/49/54/12/949495412.db2.gz WFQNHGHJBGIXRU-SNVBAGLBSA-N -1 1 390.429 -0.218 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574949446 949493133 /nfs/dbraw/zinc/49/31/33/949493133.db2.gz WSXZMWJGUSJJBS-JTQLQIEISA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574949446 949493118 /nfs/dbraw/zinc/49/31/18/949493118.db2.gz WSXZMWJGUSJJBS-JTQLQIEISA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574949447 949494474 /nfs/dbraw/zinc/49/44/74/949494474.db2.gz WSXZMWJGUSJJBS-SNVBAGLBSA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574949447 949494459 /nfs/dbraw/zinc/49/44/59/949494459.db2.gz WSXZMWJGUSJJBS-SNVBAGLBSA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Oc1ccc(F)cc1 ZINC001574949568 949497862 /nfs/dbraw/zinc/49/78/62/949497862.db2.gz XYASJSWCRDHOJN-SECBINFHSA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Oc1ccc(F)cc1 ZINC001574949569 949501593 /nfs/dbraw/zinc/50/15/93/949501593.db2.gz XYASJSWCRDHOJN-VIFPVBQESA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1nccnc1-c1nn[n-]n1 ZINC001574949624 949500371 /nfs/dbraw/zinc/50/03/71/949500371.db2.gz YYOWAVPTRFXXHA-JTQLQIEISA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1nccnc1-c1nnn[n-]1 ZINC001574949624 949500351 /nfs/dbraw/zinc/50/03/51/949500351.db2.gz YYOWAVPTRFXXHA-JTQLQIEISA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1nccnc1-c1nn[n-]n1 ZINC001574949625 949498296 /nfs/dbraw/zinc/49/82/96/949498296.db2.gz YYOWAVPTRFXXHA-SNVBAGLBSA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1nccnc1-c1nnn[n-]1 ZINC001574949625 949498274 /nfs/dbraw/zinc/49/82/74/949498274.db2.gz YYOWAVPTRFXXHA-SNVBAGLBSA-N -1 1 383.420 -0.010 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949642 949505764 /nfs/dbraw/zinc/50/57/64/949505764.db2.gz ZIQXUFHBODYFLC-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949643 949506117 /nfs/dbraw/zinc/50/61/17/949506117.db2.gz ZIQXUFHBODYFLC-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574949656 949504968 /nfs/dbraw/zinc/50/49/68/949504968.db2.gz ZXIDDXNBOAUKMV-SECBINFHSA-N -1 1 376.812 -0.207 20 0 GBADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574949657 949502453 /nfs/dbraw/zinc/50/24/53/949502453.db2.gz ZXIDDXNBOAUKMV-VIFPVBQESA-N -1 1 376.812 -0.207 20 0 GBADMM C[C@@H](CNC(=O)Cn1ncnn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949686 949504556 /nfs/dbraw/zinc/50/45/56/949504556.db2.gz ASAKECGTIGARIX-LURJTMIESA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@H](CNC(=O)Cn1ncnn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949687 949504820 /nfs/dbraw/zinc/50/48/20/949504820.db2.gz ASAKECGTIGARIX-ZCFIWIBFSA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@@H](CNC(=O)Cn1ncnn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949696 949503738 /nfs/dbraw/zinc/50/37/38/949503738.db2.gz AVSZYVDVMSRPHE-LURJTMIESA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@@H](CNC(=O)Cn1ncnn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949696 949503726 /nfs/dbraw/zinc/50/37/26/949503726.db2.gz AVSZYVDVMSRPHE-LURJTMIESA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@H](CNC(=O)Cn1ncnn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949697 949506711 /nfs/dbraw/zinc/50/67/11/949506711.db2.gz AVSZYVDVMSRPHE-ZCFIWIBFSA-N -1 1 383.829 -0.396 20 0 GBADMM C[C@H](CNC(=O)Cn1ncnn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949697 949506689 /nfs/dbraw/zinc/50/66/89/949506689.db2.gz AVSZYVDVMSRPHE-ZCFIWIBFSA-N -1 1 383.829 -0.396 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574949726 949509582 /nfs/dbraw/zinc/50/95/82/949509582.db2.gz BQRUYZOOOHTHRW-JTQLQIEISA-N -1 1 386.424 -0.369 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574949726 949509563 /nfs/dbraw/zinc/50/95/63/949509563.db2.gz BQRUYZOOOHTHRW-JTQLQIEISA-N -1 1 386.424 -0.369 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574949727 949509057 /nfs/dbraw/zinc/50/90/57/949509057.db2.gz BQRUYZOOOHTHRW-SNVBAGLBSA-N -1 1 386.424 -0.369 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574949727 949509041 /nfs/dbraw/zinc/50/90/41/949509041.db2.gz BQRUYZOOOHTHRW-SNVBAGLBSA-N -1 1 386.424 -0.369 20 0 GBADMM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574949738 949508634 /nfs/dbraw/zinc/50/86/34/949508634.db2.gz BZHQIHBWWQJACW-JTQLQIEISA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574949738 949508619 /nfs/dbraw/zinc/50/86/19/949508619.db2.gz BZHQIHBWWQJACW-JTQLQIEISA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574949739 949510432 /nfs/dbraw/zinc/51/04/32/949510432.db2.gz BZHQIHBWWQJACW-SNVBAGLBSA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574949739 949510420 /nfs/dbraw/zinc/51/04/20/949510420.db2.gz BZHQIHBWWQJACW-SNVBAGLBSA-N -1 1 383.420 -0.256 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574949874 949513288 /nfs/dbraw/zinc/51/32/88/949513288.db2.gz FYSQFXDOGJOSQG-AAEUAGOBSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574949874 949513268 /nfs/dbraw/zinc/51/32/68/949513268.db2.gz FYSQFXDOGJOSQG-AAEUAGOBSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574949875 949516255 /nfs/dbraw/zinc/51/62/55/949516255.db2.gz FYSQFXDOGJOSQG-YPMHNXCESA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574949875 949516238 /nfs/dbraw/zinc/51/62/38/949516238.db2.gz FYSQFXDOGJOSQG-YPMHNXCESA-N -1 1 387.448 -0.003 20 0 GBADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001574949890 949517971 /nfs/dbraw/zinc/51/79/71/949517971.db2.gz GMBKQJCWUCCQRQ-MRVPVSSYSA-N -1 1 380.409 -0.397 20 0 GBADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001574949891 949517793 /nfs/dbraw/zinc/51/77/93/949517793.db2.gz GMBKQJCWUCCQRQ-QMMMGPOBSA-N -1 1 380.409 -0.397 20 0 GBADMM C[C@@H](CNC(=O)Cn1ncnn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574949914 949520874 /nfs/dbraw/zinc/52/08/74/949520874.db2.gz HDWGQXYSRXLNLS-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@@H](CNC(=O)Cn1ncnn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574949914 949520858 /nfs/dbraw/zinc/52/08/58/949520858.db2.gz HDWGQXYSRXLNLS-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1ncnn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574949915 949519209 /nfs/dbraw/zinc/51/92/09/949519209.db2.gz HDWGQXYSRXLNLS-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1ncnn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574949915 949519195 /nfs/dbraw/zinc/51/91/95/949519195.db2.gz HDWGQXYSRXLNLS-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949954 949519903 /nfs/dbraw/zinc/51/99/03/949519903.db2.gz IAMYFBCTXNRSLI-NEPJUHHUSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949955 949521467 /nfs/dbraw/zinc/52/14/67/949521467.db2.gz IAMYFBCTXNRSLI-RYUDHWBXSA-N -1 1 387.448 -0.003 20 0 GBADMM C[C@@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccncc1 ZINC001574950010 949526077 /nfs/dbraw/zinc/52/60/77/949526077.db2.gz JPTDLJUOEZVQQX-JTQLQIEISA-N -1 1 385.388 -0.373 20 0 GBADMM C[C@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccncc1 ZINC001574950011 949526263 /nfs/dbraw/zinc/52/62/63/949526263.db2.gz JPTDLJUOEZVQQX-SNVBAGLBSA-N -1 1 385.388 -0.373 20 0 GBADMM C[C@@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccn1 ZINC001574950036 949525253 /nfs/dbraw/zinc/52/52/53/949525253.db2.gz KFIFCPQRMFMWGL-JTQLQIEISA-N -1 1 385.388 -0.373 20 0 GBADMM C[C@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccn1 ZINC001574950037 949524124 /nfs/dbraw/zinc/52/41/24/949524124.db2.gz KFIFCPQRMFMWGL-SNVBAGLBSA-N -1 1 385.388 -0.373 20 0 GBADMM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574950132 949528883 /nfs/dbraw/zinc/52/88/83/949528883.db2.gz LQFIMFVUKBTMEB-JTQLQIEISA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574950132 949528873 /nfs/dbraw/zinc/52/88/73/949528873.db2.gz LQFIMFVUKBTMEB-JTQLQIEISA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574950134 949528981 /nfs/dbraw/zinc/52/89/81/949528981.db2.gz LQFIMFVUKBTMEB-SNVBAGLBSA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574950134 949528967 /nfs/dbraw/zinc/52/89/67/949528967.db2.gz LQFIMFVUKBTMEB-SNVBAGLBSA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1nccs1 ZINC001574950232 949532482 /nfs/dbraw/zinc/53/24/82/949532482.db2.gz MWNCXYNOGCXIQK-MRVPVSSYSA-N -1 1 391.417 -0.312 20 0 GBADMM C[C@@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1nccs1 ZINC001574950236 949532691 /nfs/dbraw/zinc/53/26/91/949532691.db2.gz MWNCXYNOGCXIQK-QMMMGPOBSA-N -1 1 391.417 -0.312 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574950447 949537596 /nfs/dbraw/zinc/53/75/96/949537596.db2.gz ORZBLUOWGBVUEI-NEPJUHHUSA-N -1 1 387.448 -0.358 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574950448 949538758 /nfs/dbraw/zinc/53/87/58/949538758.db2.gz ORZBLUOWGBVUEI-RYUDHWBXSA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@@H](CNC(=O)Cn1ncnn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574950706 949544304 /nfs/dbraw/zinc/54/43/04/949544304.db2.gz SKJNJGQRIDIUTE-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1ncnn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574950707 949543836 /nfs/dbraw/zinc/54/38/36/949543836.db2.gz SKJNJGQRIDIUTE-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@@H](CNC(=O)Cn1ncnn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574950787 949545377 /nfs/dbraw/zinc/54/53/77/949545377.db2.gz UHLZRJBDVYSIBD-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@@H](CNC(=O)Cn1ncnn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574950787 949545367 /nfs/dbraw/zinc/54/53/67/949545367.db2.gz UHLZRJBDVYSIBD-LURJTMIESA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1ncnn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574950788 949542564 /nfs/dbraw/zinc/54/25/64/949542564.db2.gz UHLZRJBDVYSIBD-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM C[C@H](CNC(=O)Cn1ncnn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574950788 949542545 /nfs/dbraw/zinc/54/25/45/949542545.db2.gz UHLZRJBDVYSIBD-ZCFIWIBFSA-N -1 1 383.829 -0.173 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574950970 949545966 /nfs/dbraw/zinc/54/59/66/949545966.db2.gz VBKWYPFFQDIUKQ-AAEUAGOBSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574950970 949545942 /nfs/dbraw/zinc/54/59/42/949545942.db2.gz VBKWYPFFQDIUKQ-AAEUAGOBSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574950972 949546985 /nfs/dbraw/zinc/54/69/85/949546985.db2.gz VBKWYPFFQDIUKQ-YPMHNXCESA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574950972 949546958 /nfs/dbraw/zinc/54/69/58/949546958.db2.gz VBKWYPFFQDIUKQ-YPMHNXCESA-N -1 1 387.448 -0.003 20 0 GBADMM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574950978 949547512 /nfs/dbraw/zinc/54/75/12/949547512.db2.gz VFJLBUZYSRWCTO-JTQLQIEISA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574950978 949547485 /nfs/dbraw/zinc/54/74/85/949547485.db2.gz VFJLBUZYSRWCTO-JTQLQIEISA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574950980 949546057 /nfs/dbraw/zinc/54/60/57/949546057.db2.gz VFJLBUZYSRWCTO-SNVBAGLBSA-N -1 1 383.420 -0.256 20 0 GBADMM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574950980 949546031 /nfs/dbraw/zinc/54/60/31/949546031.db2.gz VFJLBUZYSRWCTO-SNVBAGLBSA-N -1 1 383.420 -0.256 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574951050 949551650 /nfs/dbraw/zinc/55/16/50/949551650.db2.gz XGWAQWPVMYAXOD-NEPJUHHUSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574951050 949551635 /nfs/dbraw/zinc/55/16/35/949551635.db2.gz XGWAQWPVMYAXOD-NEPJUHHUSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574951051 949551252 /nfs/dbraw/zinc/55/12/52/949551252.db2.gz XGWAQWPVMYAXOD-RYUDHWBXSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574951051 949551242 /nfs/dbraw/zinc/55/12/42/949551242.db2.gz XGWAQWPVMYAXOD-RYUDHWBXSA-N -1 1 387.448 -0.003 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574951296 949552560 /nfs/dbraw/zinc/55/25/60/949552560.db2.gz YNFGEGQQXPVBHS-JTQLQIEISA-N -1 1 386.424 -0.947 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574951298 949554153 /nfs/dbraw/zinc/55/41/53/949554153.db2.gz YNFGEGQQXPVBHS-SNVBAGLBSA-N -1 1 386.424 -0.947 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574951370 949557665 /nfs/dbraw/zinc/55/76/65/949557665.db2.gz ZNBXFFIWQJOCSW-JTQLQIEISA-N -1 1 386.424 -0.369 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574951370 949557649 /nfs/dbraw/zinc/55/76/49/949557649.db2.gz ZNBXFFIWQJOCSW-JTQLQIEISA-N -1 1 386.424 -0.369 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574951371 949559357 /nfs/dbraw/zinc/55/93/57/949559357.db2.gz ZNBXFFIWQJOCSW-SNVBAGLBSA-N -1 1 386.424 -0.369 20 0 GBADMM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574951371 949559339 /nfs/dbraw/zinc/55/93/39/949559339.db2.gz ZNBXFFIWQJOCSW-SNVBAGLBSA-N -1 1 386.424 -0.369 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574955803 949572056 /nfs/dbraw/zinc/57/20/56/949572056.db2.gz FKGBUIOZPUJQLD-GWCFXTLKSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574955803 949572043 /nfs/dbraw/zinc/57/20/43/949572043.db2.gz FKGBUIOZPUJQLD-GWCFXTLKSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574955821 949572555 /nfs/dbraw/zinc/57/25/55/949572555.db2.gz FKGBUIOZPUJQLD-MFKMUULPSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574955821 949572543 /nfs/dbraw/zinc/57/25/43/949572543.db2.gz FKGBUIOZPUJQLD-MFKMUULPSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574956207 949576340 /nfs/dbraw/zinc/57/63/40/949576340.db2.gz HMJWICPPPFGLFT-JQWIXIFHSA-N -1 1 385.432 -0.604 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574956209 949575241 /nfs/dbraw/zinc/57/52/41/949575241.db2.gz HMJWICPPPFGLFT-PWSUYJOCSA-N -1 1 385.432 -0.604 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574957393 949609567 /nfs/dbraw/zinc/60/95/67/949609567.db2.gz WXZLNVHGAZATJB-JQWIXIFHSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574957393 949609554 /nfs/dbraw/zinc/60/95/54/949609554.db2.gz WXZLNVHGAZATJB-JQWIXIFHSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574957394 949610712 /nfs/dbraw/zinc/61/07/12/949610712.db2.gz WXZLNVHGAZATJB-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574957394 949610696 /nfs/dbraw/zinc/61/06/96/949610696.db2.gz WXZLNVHGAZATJB-PWSUYJOCSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574957461 949612828 /nfs/dbraw/zinc/61/28/28/949612828.db2.gz YLKHEBKGSUNASI-GWCFXTLKSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574957461 949612808 /nfs/dbraw/zinc/61/28/08/949612808.db2.gz YLKHEBKGSUNASI-GWCFXTLKSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574957462 949613706 /nfs/dbraw/zinc/61/37/06/949613706.db2.gz YLKHEBKGSUNASI-MFKMUULPSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574957462 949613695 /nfs/dbraw/zinc/61/36/95/949613695.db2.gz YLKHEBKGSUNASI-MFKMUULPSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574957577 949624183 /nfs/dbraw/zinc/62/41/83/949624183.db2.gz BRLYCZHPRQSICZ-OWTLIXCDSA-N -1 1 388.432 -0.351 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574957577 949624176 /nfs/dbraw/zinc/62/41/76/949624176.db2.gz BRLYCZHPRQSICZ-OWTLIXCDSA-N -1 1 388.432 -0.351 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574957578 949622943 /nfs/dbraw/zinc/62/29/43/949622943.db2.gz BRLYCZHPRQSICZ-ZJQBRPOHSA-N -1 1 388.432 -0.351 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574957578 949622928 /nfs/dbraw/zinc/62/29/28/949622928.db2.gz BRLYCZHPRQSICZ-ZJQBRPOHSA-N -1 1 388.432 -0.351 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)NC(N)=O)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574957671 949628771 /nfs/dbraw/zinc/62/87/71/949628771.db2.gz FQAONKCVBLHYEZ-RITPCOANSA-N -1 1 387.857 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)NC(N)=O)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574957671 949628757 /nfs/dbraw/zinc/62/87/57/949628757.db2.gz FQAONKCVBLHYEZ-RITPCOANSA-N -1 1 387.857 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574957672 949630051 /nfs/dbraw/zinc/63/00/51/949630051.db2.gz FQAONKCVBLHYEZ-WDSKDSINSA-N -1 1 387.857 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574957672 949630038 /nfs/dbraw/zinc/63/00/38/949630038.db2.gz FQAONKCVBLHYEZ-WDSKDSINSA-N -1 1 387.857 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001574957687 949628632 /nfs/dbraw/zinc/62/86/32/949628632.db2.gz GCRSPOXIANZQOK-UWVGGRQHSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001574957687 949628625 /nfs/dbraw/zinc/62/86/25/949628625.db2.gz GCRSPOXIANZQOK-UWVGGRQHSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001574957688 949627124 /nfs/dbraw/zinc/62/71/24/949627124.db2.gz GCRSPOXIANZQOK-ZJUUUORDSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001574957688 949627113 /nfs/dbraw/zinc/62/71/13/949627113.db2.gz GCRSPOXIANZQOK-ZJUUUORDSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574957807 949632340 /nfs/dbraw/zinc/63/23/40/949632340.db2.gz ITXBRTNUHNMYHF-UWVGGRQHSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574957807 949632327 /nfs/dbraw/zinc/63/23/27/949632327.db2.gz ITXBRTNUHNMYHF-UWVGGRQHSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574957808 949632712 /nfs/dbraw/zinc/63/27/12/949632712.db2.gz ITXBRTNUHNMYHF-ZJUUUORDSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574957808 949632703 /nfs/dbraw/zinc/63/27/03/949632703.db2.gz ITXBRTNUHNMYHF-ZJUUUORDSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574958013 949647756 /nfs/dbraw/zinc/64/77/56/949647756.db2.gz KZOVCVNIKXQBND-UWVGGRQHSA-N -1 1 385.388 -0.015 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574958013 949647742 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JMISJNHDZMHEDA-QJPTWQEYSA-N -1 1 382.432 -0.220 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574958587 949678921 /nfs/dbraw/zinc/67/89/21/949678921.db2.gz TUBZCKRLNMCLMG-UWVGGRQHSA-N -1 1 385.388 -0.593 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574958588 949681283 /nfs/dbraw/zinc/68/12/83/949681283.db2.gz TUBZCKRLNMCLMG-ZJUUUORDSA-N -1 1 385.388 -0.593 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1nccnc1-c1nn[n-]n1 ZINC001574958603 949681404 /nfs/dbraw/zinc/68/14/04/949681404.db2.gz ULCMUCCXNFNNNS-OWTLIXCDSA-N -1 1 388.432 -0.128 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1nccnc1-c1nnn[n-]1 ZINC001574958603 949681390 /nfs/dbraw/zinc/68/13/90/949681390.db2.gz ULCMUCCXNFNNNS-OWTLIXCDSA-N -1 1 388.432 -0.128 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1nccnc1-c1nn[n-]n1 ZINC001574958604 949681475 /nfs/dbraw/zinc/68/14/75/949681475.db2.gz ULCMUCCXNFNNNS-ZJQBRPOHSA-N -1 1 388.432 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GBADMM C[C@H](CNC(=O)[C@H](C)NC(N)=O)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958764 949690064 /nfs/dbraw/zinc/69/00/64/949690064.db2.gz WEWHWKHDXSVSAR-RITPCOANSA-N -1 1 387.857 -0.026 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)NC(N)=O)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958764 949690046 /nfs/dbraw/zinc/69/00/46/949690046.db2.gz WEWHWKHDXSVSAR-RITPCOANSA-N -1 1 387.857 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958765 949688694 /nfs/dbraw/zinc/68/86/94/949688694.db2.gz WEWHWKHDXSVSAR-WDSKDSINSA-N -1 1 387.857 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958765 949688684 /nfs/dbraw/zinc/68/86/84/949688684.db2.gz WEWHWKHDXSVSAR-WDSKDSINSA-N -1 1 387.857 -0.026 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574958782 949695667 /nfs/dbraw/zinc/69/56/67/949695667.db2.gz WOIKQCOOKMRTMO-OWTLIXCDSA-N -1 1 388.432 -0.706 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574958784 949694602 /nfs/dbraw/zinc/69/46/02/949694602.db2.gz WOIKQCOOKMRTMO-ZJQBRPOHSA-N -1 1 388.432 -0.706 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574959010 949697732 /nfs/dbraw/zinc/69/77/32/949697732.db2.gz XKHMJABZQUPZFB-OWTLIXCDSA-N -1 1 388.432 -0.351 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574959012 949700617 /nfs/dbraw/zinc/70/06/17/949700617.db2.gz XKHMJABZQUPZFB-ZJQBRPOHSA-N -1 1 388.432 -0.351 20 0 GBADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574959021 949697871 /nfs/dbraw/zinc/69/78/71/949697871.db2.gz PMKNIFMZFNKCSS-KGYLQXTDSA-N -1 1 382.432 -0.220 20 0 GBADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574959023 949701211 /nfs/dbraw/zinc/70/12/11/949701211.db2.gz PMKNIFMZFNKCSS-WCFLWFBJSA-N -1 1 382.432 -0.220 20 0 GBADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574966269 949841175 /nfs/dbraw/zinc/84/11/75/949841175.db2.gz VUGMREZWMXPEQC-MRVPVSSYSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574966270 949841576 /nfs/dbraw/zinc/84/15/76/949841576.db2.gz VUGMREZWMXPEQC-QMMMGPOBSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574968859 949912089 /nfs/dbraw/zinc/91/20/89/949912089.db2.gz UMYKBPWKSNGXSF-JTQLQIEISA-N -1 1 382.432 -0.221 20 0 GBADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574968860 949913291 /nfs/dbraw/zinc/91/32/91/949913291.db2.gz UMYKBPWKSNGXSF-SNVBAGLBSA-N -1 1 382.432 -0.221 20 0 GBADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574994896 950498566 /nfs/dbraw/zinc/49/85/66/950498566.db2.gz AYUYRBFUJFHYGN-MRVPVSSYSA-N -1 1 382.388 -0.318 20 0 GBADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574994899 950498876 /nfs/dbraw/zinc/49/88/76/950498876.db2.gz AYUYRBFUJFHYGN-QMMMGPOBSA-N -1 1 382.388 -0.318 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574998828 950559748 /nfs/dbraw/zinc/55/97/48/950559748.db2.gz BCZNRNGCDLPJPX-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574998828 950559731 /nfs/dbraw/zinc/55/97/31/950559731.db2.gz BCZNRNGCDLPJPX-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574998829 950560584 /nfs/dbraw/zinc/56/05/84/950560584.db2.gz BCZNRNGCDLPJPX-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574998829 950560568 /nfs/dbraw/zinc/56/05/68/950560568.db2.gz BCZNRNGCDLPJPX-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999004 950564545 /nfs/dbraw/zinc/56/45/45/950564545.db2.gz CPXJKNPFTMGCDW-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999005 950563627 /nfs/dbraw/zinc/56/36/27/950563627.db2.gz CPXJKNPFTMGCDW-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574999050 950570801 /nfs/dbraw/zinc/57/08/01/950570801.db2.gz FDMQPADAAVEOBE-JTQLQIEISA-N -1 1 386.420 -0.394 20 0 GBADMM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574999051 950567652 /nfs/dbraw/zinc/56/76/52/950567652.db2.gz FDMQPADAAVEOBE-SNVBAGLBSA-N -1 1 386.420 -0.394 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574999078 950568878 /nfs/dbraw/zinc/56/88/78/950568878.db2.gz FTANPPNHQLSKLO-MRVPVSSYSA-N -1 1 387.429 -0.283 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574999079 950567949 /nfs/dbraw/zinc/56/79/49/950567949.db2.gz FTANPPNHQLSKLO-QMMMGPOBSA-N -1 1 387.429 -0.283 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574999227 950574260 /nfs/dbraw/zinc/57/42/60/950574260.db2.gz GZOOADDSGJBACW-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574999227 950574238 /nfs/dbraw/zinc/57/42/38/950574238.db2.gz GZOOADDSGJBACW-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574999228 950574075 /nfs/dbraw/zinc/57/40/75/950574075.db2.gz GZOOADDSGJBACW-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574999228 950574057 /nfs/dbraw/zinc/57/40/57/950574057.db2.gz GZOOADDSGJBACW-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999265 950573434 /nfs/dbraw/zinc/57/34/34/950573434.db2.gz IAPYTUREYZHPCT-JTQLQIEISA-N -1 1 386.420 -0.039 20 0 GBADMM C[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999266 950575027 /nfs/dbraw/zinc/57/50/27/950575027.db2.gz IAPYTUREYZHPCT-SNVBAGLBSA-N -1 1 386.420 -0.039 20 0 GBADMM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000005 950590048 /nfs/dbraw/zinc/59/00/48/950590048.db2.gz OCXGSVYKPOIMKM-JTQLQIEISA-N -1 1 386.420 -0.039 20 0 GBADMM C[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000006 950589266 /nfs/dbraw/zinc/58/92/66/950589266.db2.gz OCXGSVYKPOIMKM-SNVBAGLBSA-N -1 1 386.420 -0.039 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575000009 950589662 /nfs/dbraw/zinc/58/96/62/950589662.db2.gz OELWEALWOYVMEG-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575000009 950589646 /nfs/dbraw/zinc/58/96/46/950589646.db2.gz OELWEALWOYVMEG-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575000010 950589511 /nfs/dbraw/zinc/58/95/11/950589511.db2.gz OELWEALWOYVMEG-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575000010 950589504 /nfs/dbraw/zinc/58/95/04/950589504.db2.gz OELWEALWOYVMEG-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575000217 950599067 /nfs/dbraw/zinc/59/90/67/950599067.db2.gz PVGFHJMLMKJRKI-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575000217 950599050 /nfs/dbraw/zinc/59/90/50/950599050.db2.gz PVGFHJMLMKJRKI-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575000221 950599656 /nfs/dbraw/zinc/59/96/56/950599656.db2.gz PVGFHJMLMKJRKI-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575000221 950599641 /nfs/dbraw/zinc/59/96/41/950599641.db2.gz PVGFHJMLMKJRKI-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575000498 950607650 /nfs/dbraw/zinc/60/76/50/950607650.db2.gz QBJZCEFICOOFSC-JTQLQIEISA-N -1 1 386.420 -0.039 20 0 GBADMM C[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575000500 950609190 /nfs/dbraw/zinc/60/91/90/950609190.db2.gz QBJZCEFICOOFSC-SNVBAGLBSA-N -1 1 386.420 -0.039 20 0 GBADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575000512 950607187 /nfs/dbraw/zinc/60/71/87/950607187.db2.gz QFNNILIKKPBLJY-SSDOTTSWSA-N -1 1 378.347 -0.020 20 0 GBADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575000517 950608401 /nfs/dbraw/zinc/60/84/01/950608401.db2.gz QFNNILIKKPBLJY-ZETCQYMHSA-N -1 1 378.347 -0.020 20 0 GBADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575001518 950636966 /nfs/dbraw/zinc/63/69/66/950636966.db2.gz MCNHEGGXXHLWJR-SECBINFHSA-N -1 1 381.400 -0.102 20 0 GBADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575001519 950635502 /nfs/dbraw/zinc/63/55/02/950635502.db2.gz MCNHEGGXXHLWJR-VIFPVBQESA-N -1 1 381.400 -0.102 20 0 GBADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002757 950669907 /nfs/dbraw/zinc/66/99/07/950669907.db2.gz WOIWEUDRYZUXJY-MRVPVSSYSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002758 950666819 /nfs/dbraw/zinc/66/68/19/950666819.db2.gz WOIWEUDRYZUXJY-QMMMGPOBSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575005306 950677307 /nfs/dbraw/zinc/67/73/07/950677307.db2.gz ANRJXJATTOABJF-JTQLQIEISA-N -1 1 384.404 -0.464 20 0 GBADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575005307 950677166 /nfs/dbraw/zinc/67/71/66/950677166.db2.gz ANRJXJATTOABJF-SNVBAGLBSA-N -1 1 384.404 -0.464 20 0 GBADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575005808 950703471 /nfs/dbraw/zinc/70/34/71/950703471.db2.gz NSJANOOXOAQMCN-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575005809 950701293 /nfs/dbraw/zinc/70/12/93/950701293.db2.gz NSJANOOXOAQMCN-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575005842 950705209 /nfs/dbraw/zinc/70/52/09/950705209.db2.gz OLHYXUHHFKWDQP-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575005842 950705194 /nfs/dbraw/zinc/70/51/94/950705194.db2.gz OLHYXUHHFKWDQP-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575005843 950705726 /nfs/dbraw/zinc/70/57/26/950705726.db2.gz OLHYXUHHFKWDQP-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575005843 950705709 /nfs/dbraw/zinc/70/57/09/950705709.db2.gz OLHYXUHHFKWDQP-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575006004 950710102 /nfs/dbraw/zinc/71/01/02/950710102.db2.gz PSOFGEMLBGQWQL-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575006004 950710089 /nfs/dbraw/zinc/71/00/89/950710089.db2.gz PSOFGEMLBGQWQL-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575006005 950710698 /nfs/dbraw/zinc/71/06/98/950710698.db2.gz PSOFGEMLBGQWQL-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575006005 950710682 /nfs/dbraw/zinc/71/06/82/950710682.db2.gz PSOFGEMLBGQWQL-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575006044 950712485 /nfs/dbraw/zinc/71/24/85/950712485.db2.gz RCYVFTNETOLNKO-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575006044 950712469 /nfs/dbraw/zinc/71/24/69/950712469.db2.gz RCYVFTNETOLNKO-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575006045 950711696 /nfs/dbraw/zinc/71/16/96/950711696.db2.gz RCYVFTNETOLNKO-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575006045 950711689 /nfs/dbraw/zinc/71/16/89/950711689.db2.gz RCYVFTNETOLNKO-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575017173 950983130 /nfs/dbraw/zinc/98/31/30/950983130.db2.gz BKOQSUZTJPMUHM-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575017173 950983110 /nfs/dbraw/zinc/98/31/10/950983110.db2.gz BKOQSUZTJPMUHM-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575017174 950983494 /nfs/dbraw/zinc/98/34/94/950983494.db2.gz BKOQSUZTJPMUHM-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575017174 950983471 /nfs/dbraw/zinc/98/34/71/950983471.db2.gz BKOQSUZTJPMUHM-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575018200 951018541 /nfs/dbraw/zinc/01/85/41/951018541.db2.gz MJIQPIBGZSARQD-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575018200 951018536 /nfs/dbraw/zinc/01/85/36/951018536.db2.gz MJIQPIBGZSARQD-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575018203 951018727 /nfs/dbraw/zinc/01/87/27/951018727.db2.gz MJIQPIBGZSARQD-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575018203 951018713 /nfs/dbraw/zinc/01/87/13/951018713.db2.gz MJIQPIBGZSARQD-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575018220 951019292 /nfs/dbraw/zinc/01/92/92/951019292.db2.gz MLFFPMOZEQUIKN-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575018223 951017237 /nfs/dbraw/zinc/01/72/37/951017237.db2.gz MLFFPMOZEQUIKN-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575019261 951033027 /nfs/dbraw/zinc/03/30/27/951033027.db2.gz SDVDCJYTESTSKN-JTQLQIEISA-N -1 1 381.400 -0.345 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575019268 951035279 /nfs/dbraw/zinc/03/52/79/951035279.db2.gz SDVDCJYTESTSKN-SNVBAGLBSA-N -1 1 381.400 -0.345 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(-n2cncn2)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575019754 951043135 /nfs/dbraw/zinc/04/31/35/951043135.db2.gz VLPOKOZUCBMZPA-JTQLQIEISA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(-n2cncn2)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575019754 951043119 /nfs/dbraw/zinc/04/31/19/951043119.db2.gz VLPOKOZUCBMZPA-JTQLQIEISA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@H](CNC(=O)c1ccc(-n2cncn2)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575019755 951044571 /nfs/dbraw/zinc/04/45/71/951044571.db2.gz VLPOKOZUCBMZPA-SNVBAGLBSA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@H](CNC(=O)c1ccc(-n2cncn2)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575019755 951044556 /nfs/dbraw/zinc/04/45/56/951044556.db2.gz VLPOKOZUCBMZPA-SNVBAGLBSA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575020450 951057044 /nfs/dbraw/zinc/05/70/44/951057044.db2.gz ZOVWRKOXSVNQOG-JTQLQIEISA-N -1 1 392.387 -0.715 20 0 GBADMM C[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575020452 951058136 /nfs/dbraw/zinc/05/81/36/951058136.db2.gz ZOVWRKOXSVNQOG-SNVBAGLBSA-N -1 1 392.387 -0.715 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575021603 951063662 /nfs/dbraw/zinc/06/36/62/951063662.db2.gz DRGZLAOJWZMKBJ-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575021603 951063651 /nfs/dbraw/zinc/06/36/51/951063651.db2.gz DRGZLAOJWZMKBJ-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575021605 951062329 /nfs/dbraw/zinc/06/23/29/951062329.db2.gz DRGZLAOJWZMKBJ-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575021605 951062319 /nfs/dbraw/zinc/06/23/19/951062319.db2.gz DRGZLAOJWZMKBJ-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575023238 951077491 /nfs/dbraw/zinc/07/74/91/951077491.db2.gz LBWDCKAUSZBPFG-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575023238 951077483 /nfs/dbraw/zinc/07/74/83/951077483.db2.gz LBWDCKAUSZBPFG-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575023239 951075929 /nfs/dbraw/zinc/07/59/29/951075929.db2.gz LBWDCKAUSZBPFG-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575023239 951075919 /nfs/dbraw/zinc/07/59/19/951075919.db2.gz LBWDCKAUSZBPFG-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575023262 951075760 /nfs/dbraw/zinc/07/57/60/951075760.db2.gz LQJRKKQKAJOYNB-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575023262 951075752 /nfs/dbraw/zinc/07/57/52/951075752.db2.gz LQJRKKQKAJOYNB-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575023263 951077139 /nfs/dbraw/zinc/07/71/39/951077139.db2.gz LQJRKKQKAJOYNB-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575023263 951077124 /nfs/dbraw/zinc/07/71/24/951077124.db2.gz LQJRKKQKAJOYNB-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575023540 951079432 /nfs/dbraw/zinc/07/94/32/951079432.db2.gz NIKCTLPRCPUVIA-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575023541 951080053 /nfs/dbraw/zinc/08/00/53/951080053.db2.gz NIKCTLPRCPUVIA-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024187 951094414 /nfs/dbraw/zinc/09/44/14/951094414.db2.gz XNNAPNWLSSDGQY-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024187 951094399 /nfs/dbraw/zinc/09/43/99/951094399.db2.gz XNNAPNWLSSDGQY-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024188 951094743 /nfs/dbraw/zinc/09/47/43/951094743.db2.gz XNNAPNWLSSDGQY-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024188 951094731 /nfs/dbraw/zinc/09/47/31/951094731.db2.gz XNNAPNWLSSDGQY-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024237 951094788 /nfs/dbraw/zinc/09/47/88/951094788.db2.gz YNTYMJHRHJIMIQ-MRVPVSSYSA-N -1 1 387.429 -0.283 20 0 GBADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024238 951095373 /nfs/dbraw/zinc/09/53/73/951095373.db2.gz YNTYMJHRHJIMIQ-QMMMGPOBSA-N -1 1 387.429 -0.283 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024297 951099507 /nfs/dbraw/zinc/09/95/07/951099507.db2.gz ADOIKIDLZMJUKH-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024297 951099494 /nfs/dbraw/zinc/09/94/94/951099494.db2.gz ADOIKIDLZMJUKH-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024298 951097557 /nfs/dbraw/zinc/09/75/57/951097557.db2.gz ADOIKIDLZMJUKH-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024298 951097541 /nfs/dbraw/zinc/09/75/41/951097541.db2.gz ADOIKIDLZMJUKH-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024455 951103793 /nfs/dbraw/zinc/10/37/93/951103793.db2.gz FAKXOTRMUDABEF-MRVPVSSYSA-N -1 1 392.401 -0.695 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024456 951103404 /nfs/dbraw/zinc/10/34/04/951103404.db2.gz FAKXOTRMUDABEF-QMMMGPOBSA-N -1 1 392.401 -0.695 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1nccnc1-c1nn[n-]n1 ZINC001575024567 951107223 /nfs/dbraw/zinc/10/72/23/951107223.db2.gz HRYODKADHPZYSY-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1nccnc1-c1nnn[n-]1 ZINC001575024567 951107213 /nfs/dbraw/zinc/10/72/13/951107213.db2.gz HRYODKADHPZYSY-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1nccnc1-c1nn[n-]n1 ZINC001575024568 951107083 /nfs/dbraw/zinc/10/70/83/951107083.db2.gz HRYODKADHPZYSY-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1nccnc1-c1nnn[n-]1 ZINC001575024568 951107076 /nfs/dbraw/zinc/10/70/76/951107076.db2.gz HRYODKADHPZYSY-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024817 951114654 /nfs/dbraw/zinc/11/46/54/951114654.db2.gz NEQQRKAQZRVSCG-SECBINFHSA-N -1 1 383.372 -0.525 20 0 GBADMM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024818 951114295 /nfs/dbraw/zinc/11/42/95/951114295.db2.gz NEQQRKAQZRVSCG-VIFPVBQESA-N -1 1 383.372 -0.525 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024977 951120639 /nfs/dbraw/zinc/12/06/39/951120639.db2.gz QYBVWEZCCQSSAX-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024977 951120632 /nfs/dbraw/zinc/12/06/32/951120632.db2.gz QYBVWEZCCQSSAX-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024978 951121373 /nfs/dbraw/zinc/12/13/73/951121373.db2.gz QYBVWEZCCQSSAX-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024978 951121356 /nfs/dbraw/zinc/12/13/56/951121356.db2.gz QYBVWEZCCQSSAX-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575025499 951130145 /nfs/dbraw/zinc/13/01/45/951130145.db2.gz ZTIZUZDRMALWDW-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575025499 951130138 /nfs/dbraw/zinc/13/01/38/951130138.db2.gz ZTIZUZDRMALWDW-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575025500 951129914 /nfs/dbraw/zinc/12/99/14/951129914.db2.gz ZTIZUZDRMALWDW-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575025500 951129907 /nfs/dbraw/zinc/12/99/07/951129907.db2.gz ZTIZUZDRMALWDW-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575026031 951137890 /nfs/dbraw/zinc/13/78/90/951137890.db2.gz FFZAELWMMLHVHV-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575026031 951137883 /nfs/dbraw/zinc/13/78/83/951137883.db2.gz FFZAELWMMLHVHV-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575026033 951138365 /nfs/dbraw/zinc/13/83/65/951138365.db2.gz FFZAELWMMLHVHV-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575026033 951138352 /nfs/dbraw/zinc/13/83/52/951138352.db2.gz FFZAELWMMLHVHV-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1ccc2nncn2c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575026388 951143359 /nfs/dbraw/zinc/14/33/59/951143359.db2.gz ILELHFKEYYZHBY-JTQLQIEISA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@@H](CNC(=O)c1ccc2nncn2c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575026388 951143354 /nfs/dbraw/zinc/14/33/54/951143354.db2.gz ILELHFKEYYZHBY-JTQLQIEISA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@H](CNC(=O)c1ccc2nncn2c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575026389 951142905 /nfs/dbraw/zinc/14/29/05/951142905.db2.gz ILELHFKEYYZHBY-SNVBAGLBSA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@H](CNC(=O)c1ccc2nncn2c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575026389 951142900 /nfs/dbraw/zinc/14/29/00/951142900.db2.gz ILELHFKEYYZHBY-SNVBAGLBSA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575026424 951142975 /nfs/dbraw/zinc/14/29/75/951142975.db2.gz JIRJNRKOSYIPSS-JTQLQIEISA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575026424 951142966 /nfs/dbraw/zinc/14/29/66/951142966.db2.gz JIRJNRKOSYIPSS-JTQLQIEISA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575026425 951142808 /nfs/dbraw/zinc/14/28/08/951142808.db2.gz JIRJNRKOSYIPSS-SNVBAGLBSA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575026425 951142800 /nfs/dbraw/zinc/14/28/00/951142800.db2.gz JIRJNRKOSYIPSS-SNVBAGLBSA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@H](CNC(=O)c1ccc2nnnn2c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575026705 951145172 /nfs/dbraw/zinc/14/51/72/951145172.db2.gz MECZSHGGQKTVNV-SECBINFHSA-N -1 1 380.376 -0.651 20 0 GBADMM C[C@@H](CNC(=O)c1ccc2nnnn2c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575026711 951145664 /nfs/dbraw/zinc/14/56/64/951145664.db2.gz MECZSHGGQKTVNV-VIFPVBQESA-N -1 1 380.376 -0.651 20 0 GBADMM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575028092 951166715 /nfs/dbraw/zinc/16/67/15/951166715.db2.gz UXKLPFWOJVBSIK-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575028092 951166706 /nfs/dbraw/zinc/16/67/06/951166706.db2.gz UXKLPFWOJVBSIK-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575028093 951167852 /nfs/dbraw/zinc/16/78/52/951167852.db2.gz UXKLPFWOJVBSIK-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575028093 951167848 /nfs/dbraw/zinc/16/78/48/951167848.db2.gz UXKLPFWOJVBSIK-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028362 951172775 /nfs/dbraw/zinc/17/27/75/951172775.db2.gz VSYRHLPHKLLHSQ-JTQLQIEISA-N -1 1 381.400 -0.345 20 0 GBADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028365 951173307 /nfs/dbraw/zinc/17/33/07/951173307.db2.gz VSYRHLPHKLLHSQ-SNVBAGLBSA-N -1 1 381.400 -0.345 20 0 GBADMM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575029020 951182155 /nfs/dbraw/zinc/18/21/55/951182155.db2.gz YKUXQGVPODABIN-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575029022 951181995 /nfs/dbraw/zinc/18/19/95/951181995.db2.gz YKUXQGVPODABIN-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccn2nnnc12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575031464 951193334 /nfs/dbraw/zinc/19/33/34/951193334.db2.gz ALPZWQBFQRNNHH-SECBINFHSA-N -1 1 380.376 -0.651 20 0 GBADMM C[C@@H](CNC(=O)c1cccn2nnnc12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575031465 951195100 /nfs/dbraw/zinc/19/51/00/951195100.db2.gz ALPZWQBFQRNNHH-VIFPVBQESA-N -1 1 380.376 -0.651 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575031718 951202319 /nfs/dbraw/zinc/20/23/19/951202319.db2.gz HNPJHCMKOZOIKK-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575031718 951202312 /nfs/dbraw/zinc/20/23/12/951202312.db2.gz HNPJHCMKOZOIKK-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575031719 951201178 /nfs/dbraw/zinc/20/11/78/951201178.db2.gz HNPJHCMKOZOIKK-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575031719 951201166 /nfs/dbraw/zinc/20/11/66/951201166.db2.gz HNPJHCMKOZOIKK-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575032121 951214261 /nfs/dbraw/zinc/21/42/61/951214261.db2.gz RCRKSBKBCXVVEM-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575032122 951215504 /nfs/dbraw/zinc/21/55/04/951215504.db2.gz RCRKSBKBCXVVEM-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575032159 951219276 /nfs/dbraw/zinc/21/92/76/951219276.db2.gz SDBFNULPYWSPJR-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575032159 951219267 /nfs/dbraw/zinc/21/92/67/951219267.db2.gz SDBFNULPYWSPJR-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575032160 951218360 /nfs/dbraw/zinc/21/83/60/951218360.db2.gz SDBFNULPYWSPJR-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575032160 951218351 /nfs/dbraw/zinc/21/83/51/951218351.db2.gz SDBFNULPYWSPJR-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575032267 951222447 /nfs/dbraw/zinc/22/24/47/951222447.db2.gz VNAQMMJBIWJRNB-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575032267 951222439 /nfs/dbraw/zinc/22/24/39/951222439.db2.gz VNAQMMJBIWJRNB-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575032268 951220242 /nfs/dbraw/zinc/22/02/42/951220242.db2.gz VNAQMMJBIWJRNB-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575032268 951220232 /nfs/dbraw/zinc/22/02/32/951220232.db2.gz VNAQMMJBIWJRNB-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575032493 951227813 /nfs/dbraw/zinc/22/78/13/951227813.db2.gz ZBRIFDVKWPVOIK-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575032493 951227804 /nfs/dbraw/zinc/22/78/04/951227804.db2.gz ZBRIFDVKWPVOIK-SECBINFHSA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575032494 951227055 /nfs/dbraw/zinc/22/70/55/951227055.db2.gz ZBRIFDVKWPVOIK-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575032494 951227040 /nfs/dbraw/zinc/22/70/40/951227040.db2.gz ZBRIFDVKWPVOIK-VIFPVBQESA-N -1 1 382.388 -0.595 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575033770 951227785 /nfs/dbraw/zinc/22/77/85/951227785.db2.gz AMAVBBAZGGHGCR-MRVPVSSYSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575033770 951227772 /nfs/dbraw/zinc/22/77/72/951227772.db2.gz AMAVBBAZGGHGCR-MRVPVSSYSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575033771 951225875 /nfs/dbraw/zinc/22/58/75/951225875.db2.gz AMAVBBAZGGHGCR-QMMMGPOBSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575033771 951225864 /nfs/dbraw/zinc/22/58/64/951225864.db2.gz AMAVBBAZGGHGCR-QMMMGPOBSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575033868 951232212 /nfs/dbraw/zinc/23/22/12/951232212.db2.gz DBFRTLGRWKYGAB-MRVPVSSYSA-N -1 1 380.372 -0.801 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575033869 951232607 /nfs/dbraw/zinc/23/26/07/951232607.db2.gz DBFRTLGRWKYGAB-QMMMGPOBSA-N -1 1 380.372 -0.801 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575033974 951235252 /nfs/dbraw/zinc/23/52/52/951235252.db2.gz FSYAHBSNEXOHLY-MRVPVSSYSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575033974 951235232 /nfs/dbraw/zinc/23/52/32/951235232.db2.gz FSYAHBSNEXOHLY-MRVPVSSYSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575033975 951235076 /nfs/dbraw/zinc/23/50/76/951235076.db2.gz FSYAHBSNEXOHLY-QMMMGPOBSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575033975 951235063 /nfs/dbraw/zinc/23/50/63/951235063.db2.gz FSYAHBSNEXOHLY-QMMMGPOBSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575034179 951240985 /nfs/dbraw/zinc/24/09/85/951240985.db2.gz IXLTZWBDMYAAPR-MRVPVSSYSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575034179 951240976 /nfs/dbraw/zinc/24/09/76/951240976.db2.gz IXLTZWBDMYAAPR-MRVPVSSYSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575034180 951241710 /nfs/dbraw/zinc/24/17/10/951241710.db2.gz IXLTZWBDMYAAPR-QMMMGPOBSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575034180 951241702 /nfs/dbraw/zinc/24/17/02/951241702.db2.gz IXLTZWBDMYAAPR-QMMMGPOBSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2ccnn21)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575034310 951244958 /nfs/dbraw/zinc/24/49/58/951244958.db2.gz LVQLSRLBFSRRSF-JTQLQIEISA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2ccnn21)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575034310 951244949 /nfs/dbraw/zinc/24/49/49/951244949.db2.gz LVQLSRLBFSRRSF-JTQLQIEISA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2ccnn21)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575034311 951244032 /nfs/dbraw/zinc/24/40/32/951244032.db2.gz LVQLSRLBFSRRSF-SNVBAGLBSA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2ccnn21)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575034311 951244025 /nfs/dbraw/zinc/24/40/25/951244025.db2.gz LVQLSRLBFSRRSF-SNVBAGLBSA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575034322 951243906 /nfs/dbraw/zinc/24/39/06/951243906.db2.gz MFXJZFNQWWUKOZ-MRVPVSSYSA-N -1 1 378.347 -0.229 20 0 GBADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575034323 951245019 /nfs/dbraw/zinc/24/50/19/951245019.db2.gz MFXJZFNQWWUKOZ-QMMMGPOBSA-N -1 1 378.347 -0.229 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1nccnc1-c1nn[n-]n1 ZINC001575035338 951272656 /nfs/dbraw/zinc/27/26/56/951272656.db2.gz WYVSXSHTZYEHMS-MRVPVSSYSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1nccnc1-c1nnn[n-]1 ZINC001575035338 951272641 /nfs/dbraw/zinc/27/26/41/951272641.db2.gz WYVSXSHTZYEHMS-MRVPVSSYSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1nccnc1-c1nn[n-]n1 ZINC001575035339 951274801 /nfs/dbraw/zinc/27/48/01/951274801.db2.gz WYVSXSHTZYEHMS-QMMMGPOBSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1nccnc1-c1nnn[n-]1 ZINC001575035339 951274788 /nfs/dbraw/zinc/27/47/88/951274788.db2.gz WYVSXSHTZYEHMS-QMMMGPOBSA-N -1 1 380.372 -0.223 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575035490 951276671 /nfs/dbraw/zinc/27/66/71/951276671.db2.gz IXKPVLSYLIRDOH-JTQLQIEISA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575035490 951276655 /nfs/dbraw/zinc/27/66/55/951276655.db2.gz IXKPVLSYLIRDOH-JTQLQIEISA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575035491 951275939 /nfs/dbraw/zinc/27/59/39/951275939.db2.gz IXKPVLSYLIRDOH-SNVBAGLBSA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575035491 951275926 /nfs/dbraw/zinc/27/59/26/951275926.db2.gz IXKPVLSYLIRDOH-SNVBAGLBSA-N -1 1 392.387 -0.137 20 0 GBADMM C[C@@H](CNC(=O)c1ccn2nnnc2c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575035510 951275481 /nfs/dbraw/zinc/27/54/81/951275481.db2.gz JPDDXBSSUAEUHJ-SECBINFHSA-N -1 1 380.376 -0.428 20 0 GBADMM C[C@@H](CNC(=O)c1ccn2nnnc2c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575035510 951275470 /nfs/dbraw/zinc/27/54/70/951275470.db2.gz JPDDXBSSUAEUHJ-SECBINFHSA-N -1 1 380.376 -0.428 20 0 GBADMM C[C@H](CNC(=O)c1ccn2nnnc2c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575035511 951275774 /nfs/dbraw/zinc/27/57/74/951275774.db2.gz JPDDXBSSUAEUHJ-VIFPVBQESA-N -1 1 380.376 -0.428 20 0 GBADMM C[C@H](CNC(=O)c1ccn2nnnc2c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575035511 951275771 /nfs/dbraw/zinc/27/57/71/951275771.db2.gz JPDDXBSSUAEUHJ-VIFPVBQESA-N -1 1 380.376 -0.428 20 0 GBADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575035996 951285892 /nfs/dbraw/zinc/28/58/92/951285892.db2.gz OIDMBXKKCKTQOI-MRVPVSSYSA-N -1 1 378.347 -0.229 20 0 GBADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575035997 951285354 /nfs/dbraw/zinc/28/53/54/951285354.db2.gz OIDMBXKKCKTQOI-QMMMGPOBSA-N -1 1 378.347 -0.229 20 0 GBADMM C[C@@H](CNC(=O)c1ccnc2[nH]cnc21)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575036700 951297585 /nfs/dbraw/zinc/29/75/85/951297585.db2.gz WETJPKFYZSMMNK-SECBINFHSA-N -1 1 379.388 -0.172 20 0 GBADMM C[C@H](CNC(=O)c1ccnc2[nH]cnc21)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575036701 951297688 /nfs/dbraw/zinc/29/76/88/951297688.db2.gz WETJPKFYZSMMNK-VIFPVBQESA-N -1 1 379.388 -0.172 20 0 GBADMM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575037515 951306124 /nfs/dbraw/zinc/30/61/24/951306124.db2.gz ABJYJZGHCRAIMO-SECBINFHSA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575037518 951305331 /nfs/dbraw/zinc/30/53/31/951305331.db2.gz ABJYJZGHCRAIMO-VIFPVBQESA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575038238 951317578 /nfs/dbraw/zinc/31/75/78/951317578.db2.gz ICYZBFZYSWXYIY-SECBINFHSA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575038238 951317563 /nfs/dbraw/zinc/31/75/63/951317563.db2.gz ICYZBFZYSWXYIY-SECBINFHSA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575038239 951318892 /nfs/dbraw/zinc/31/88/92/951318892.db2.gz ICYZBFZYSWXYIY-VIFPVBQESA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575038239 951318874 /nfs/dbraw/zinc/31/88/74/951318874.db2.gz ICYZBFZYSWXYIY-VIFPVBQESA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@@H](CNC(=O)c1cn(-c2cccnc2)nn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575038244 951317883 /nfs/dbraw/zinc/31/78/83/951317883.db2.gz IFNMZNWUKWNHSE-JTQLQIEISA-N -1 1 392.387 -0.715 20 0 GBADMM C[C@H](CNC(=O)c1cn(-c2cccnc2)nn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575038245 951320343 /nfs/dbraw/zinc/32/03/43/951320343.db2.gz IFNMZNWUKWNHSE-SNVBAGLBSA-N -1 1 392.387 -0.715 20 0 GBADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575038596 951321367 /nfs/dbraw/zinc/32/13/67/951321367.db2.gz KLLWOYDKJBGJFC-JTQLQIEISA-N -1 1 385.436 -0.097 20 0 GBADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575038600 951322192 /nfs/dbraw/zinc/32/21/92/951322192.db2.gz KLLWOYDKJBGJFC-SNVBAGLBSA-N -1 1 385.436 -0.097 20 0 GBADMM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575038618 951320681 /nfs/dbraw/zinc/32/06/81/951320681.db2.gz KNOLHWXOSHQRLB-SECBINFHSA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575038618 951320669 /nfs/dbraw/zinc/32/06/69/951320669.db2.gz KNOLHWXOSHQRLB-SECBINFHSA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575038619 951322999 /nfs/dbraw/zinc/32/29/99/951322999.db2.gz KNOLHWXOSHQRLB-VIFPVBQESA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575038619 951322985 /nfs/dbraw/zinc/32/29/85/951322985.db2.gz KNOLHWXOSHQRLB-VIFPVBQESA-N -1 1 385.388 -0.468 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575042684 951370322 /nfs/dbraw/zinc/37/03/22/951370322.db2.gz AXRRFPAFRCIISG-JTQLQIEISA-N -1 1 384.404 -0.717 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575042689 951368464 /nfs/dbraw/zinc/36/84/64/951368464.db2.gz AXRRFPAFRCIISG-SNVBAGLBSA-N -1 1 384.404 -0.717 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575042752 951370162 /nfs/dbraw/zinc/37/01/62/951370162.db2.gz BHYNHIZDLIFFAZ-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575042752 951370148 /nfs/dbraw/zinc/37/01/48/951370148.db2.gz BHYNHIZDLIFFAZ-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575042755 951368307 /nfs/dbraw/zinc/36/83/07/951368307.db2.gz BHYNHIZDLIFFAZ-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575042755 951368293 /nfs/dbraw/zinc/36/82/93/951368293.db2.gz BHYNHIZDLIFFAZ-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575042789 951371688 /nfs/dbraw/zinc/37/16/88/951371688.db2.gz BVDNTMFBQOPWJK-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575042790 951372203 /nfs/dbraw/zinc/37/22/03/951372203.db2.gz BVDNTMFBQOPWJK-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575042904 951374630 /nfs/dbraw/zinc/37/46/30/951374630.db2.gz DBKUDKRHIZHMMW-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575042904 951374615 /nfs/dbraw/zinc/37/46/15/951374615.db2.gz DBKUDKRHIZHMMW-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575042906 951373588 /nfs/dbraw/zinc/37/35/88/951373588.db2.gz DBKUDKRHIZHMMW-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575042906 951373577 /nfs/dbraw/zinc/37/35/77/951373577.db2.gz DBKUDKRHIZHMMW-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575043014 951377547 /nfs/dbraw/zinc/37/75/47/951377547.db2.gz FMUUAIGBZDGZNB-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575043014 951377529 /nfs/dbraw/zinc/37/75/29/951377529.db2.gz FMUUAIGBZDGZNB-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575043016 951377760 /nfs/dbraw/zinc/37/77/60/951377760.db2.gz FMUUAIGBZDGZNB-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575043016 951377750 /nfs/dbraw/zinc/37/77/50/951377750.db2.gz FMUUAIGBZDGZNB-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043033 951380442 /nfs/dbraw/zinc/38/04/42/951380442.db2.gz FROCKQSLELGVRI-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043033 951380430 /nfs/dbraw/zinc/38/04/30/951380430.db2.gz FROCKQSLELGVRI-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043034 951378883 /nfs/dbraw/zinc/37/88/83/951378883.db2.gz FROCKQSLELGVRI-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043034 951378874 /nfs/dbraw/zinc/37/88/74/951378874.db2.gz FROCKQSLELGVRI-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575043080 951379481 /nfs/dbraw/zinc/37/94/81/951379481.db2.gz OJJZNYXFZQFPOY-MRVPVSSYSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575043081 951381251 /nfs/dbraw/zinc/38/12/51/951381251.db2.gz OJJZNYXFZQFPOY-QMMMGPOBSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575043297 951387398 /nfs/dbraw/zinc/38/73/98/951387398.db2.gz HVUKPSGBZPFSOC-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575043297 951387388 /nfs/dbraw/zinc/38/73/88/951387388.db2.gz HVUKPSGBZPFSOC-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575043300 951385799 /nfs/dbraw/zinc/38/57/99/951385799.db2.gz HVUKPSGBZPFSOC-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575043300 951385784 /nfs/dbraw/zinc/38/57/84/951385784.db2.gz HVUKPSGBZPFSOC-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575043382 951390530 /nfs/dbraw/zinc/39/05/30/951390530.db2.gz ICEXTTOBBGAIHH-JTQLQIEISA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575043382 951390509 /nfs/dbraw/zinc/39/05/09/951390509.db2.gz ICEXTTOBBGAIHH-JTQLQIEISA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575043383 951389314 /nfs/dbraw/zinc/38/93/14/951389314.db2.gz ICEXTTOBBGAIHH-SNVBAGLBSA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575043383 951389300 /nfs/dbraw/zinc/38/93/00/951389300.db2.gz ICEXTTOBBGAIHH-SNVBAGLBSA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575043394 951390003 /nfs/dbraw/zinc/39/00/03/951390003.db2.gz IILWPWTZBSODHV-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575043394 951389992 /nfs/dbraw/zinc/38/99/92/951389992.db2.gz IILWPWTZBSODHV-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575043395 951390824 /nfs/dbraw/zinc/39/08/24/951390824.db2.gz IILWPWTZBSODHV-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575043395 951390802 /nfs/dbraw/zinc/39/08/02/951390802.db2.gz IILWPWTZBSODHV-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043402 951390593 /nfs/dbraw/zinc/39/05/93/951390593.db2.gz ILYBPEMWVFBWRA-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043402 951390570 /nfs/dbraw/zinc/39/05/70/951390570.db2.gz ILYBPEMWVFBWRA-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043403 951389564 /nfs/dbraw/zinc/38/95/64/951389564.db2.gz ILYBPEMWVFBWRA-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043403 951389551 /nfs/dbraw/zinc/38/95/51/951389551.db2.gz ILYBPEMWVFBWRA-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575043572 951395280 /nfs/dbraw/zinc/39/52/80/951395280.db2.gz UWTDCPZXIYYKLJ-JTQLQIEISA-N -1 1 383.420 -0.127 20 0 GBADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575043574 951395511 /nfs/dbraw/zinc/39/55/11/951395511.db2.gz UWTDCPZXIYYKLJ-SNVBAGLBSA-N -1 1 383.420 -0.127 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575043588 951400762 /nfs/dbraw/zinc/40/07/62/951400762.db2.gz KLACOUBTWOPMEB-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575043588 951400749 /nfs/dbraw/zinc/40/07/49/951400749.db2.gz KLACOUBTWOPMEB-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575043589 951400329 /nfs/dbraw/zinc/40/03/29/951400329.db2.gz KLACOUBTWOPMEB-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575043589 951400321 /nfs/dbraw/zinc/40/03/21/951400321.db2.gz KLACOUBTWOPMEB-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575043637 951398553 /nfs/dbraw/zinc/39/85/53/951398553.db2.gz KZHBIBUEMQRIGH-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575043637 951398538 /nfs/dbraw/zinc/39/85/38/951398538.db2.gz KZHBIBUEMQRIGH-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575043638 951399607 /nfs/dbraw/zinc/39/96/07/951399607.db2.gz KZHBIBUEMQRIGH-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575043638 951399601 /nfs/dbraw/zinc/39/96/01/951399601.db2.gz KZHBIBUEMQRIGH-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575043653 951399906 /nfs/dbraw/zinc/39/99/06/951399906.db2.gz LLNGZHOPKQBKCE-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575043653 951399891 /nfs/dbraw/zinc/39/98/91/951399891.db2.gz LLNGZHOPKQBKCE-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575043654 951398484 /nfs/dbraw/zinc/39/84/84/951398484.db2.gz LLNGZHOPKQBKCE-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575043654 951398471 /nfs/dbraw/zinc/39/84/71/951398471.db2.gz LLNGZHOPKQBKCE-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575044078 951407806 /nfs/dbraw/zinc/40/78/06/951407806.db2.gz PJSNRTSPQKRNED-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575044079 951408709 /nfs/dbraw/zinc/40/87/09/951408709.db2.gz PJSNRTSPQKRNED-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575044214 951410290 /nfs/dbraw/zinc/41/02/90/951410290.db2.gz PUPVAPBNDZNJFT-MRVPVSSYSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575044216 951409956 /nfs/dbraw/zinc/40/99/56/951409956.db2.gz PUPVAPBNDZNJFT-QMMMGPOBSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575044224 951410419 /nfs/dbraw/zinc/41/04/19/951410419.db2.gz QDYGCHDOXCSKFS-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575044224 951410410 /nfs/dbraw/zinc/41/04/10/951410410.db2.gz QDYGCHDOXCSKFS-JTQLQIEISA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575044226 951410872 /nfs/dbraw/zinc/41/08/72/951410872.db2.gz QDYGCHDOXCSKFS-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575044226 951410859 /nfs/dbraw/zinc/41/08/59/951410859.db2.gz QDYGCHDOXCSKFS-SNVBAGLBSA-N -1 1 383.420 -0.233 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044233 951410266 /nfs/dbraw/zinc/41/02/66/951410266.db2.gz QHBRERMXEXFFHS-JTQLQIEISA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044233 951410251 /nfs/dbraw/zinc/41/02/51/951410251.db2.gz QHBRERMXEXFFHS-JTQLQIEISA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044236 951410620 /nfs/dbraw/zinc/41/06/20/951410620.db2.gz QHBRERMXEXFFHS-SNVBAGLBSA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044236 951410608 /nfs/dbraw/zinc/41/06/08/951410608.db2.gz QHBRERMXEXFFHS-SNVBAGLBSA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575044525 951415396 /nfs/dbraw/zinc/41/53/96/951415396.db2.gz RVBIIPSCZXSWGW-MRVPVSSYSA-N -1 1 382.388 -0.318 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575044527 951415719 /nfs/dbraw/zinc/41/57/19/951415719.db2.gz RVBIIPSCZXSWGW-QMMMGPOBSA-N -1 1 382.388 -0.318 20 0 GBADMM C[C@H](CNC(=O)c1cn2cccnc2n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575044609 951416362 /nfs/dbraw/zinc/41/63/62/951416362.db2.gz SQRLGVCFQAOVPO-JTQLQIEISA-N -1 1 379.388 -0.401 20 0 GBADMM C[C@@H](CNC(=O)c1cn2cccnc2n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575044611 951415088 /nfs/dbraw/zinc/41/50/88/951415088.db2.gz SQRLGVCFQAOVPO-SNVBAGLBSA-N -1 1 379.388 -0.401 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575044646 951418126 /nfs/dbraw/zinc/41/81/26/951418126.db2.gz UIQMNEGRIAQNCO-JTQLQIEISA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575044646 951418115 /nfs/dbraw/zinc/41/81/15/951418115.db2.gz UIQMNEGRIAQNCO-JTQLQIEISA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575044647 951418556 /nfs/dbraw/zinc/41/85/56/951418556.db2.gz UIQMNEGRIAQNCO-SNVBAGLBSA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575044647 951418545 /nfs/dbraw/zinc/41/85/45/951418545.db2.gz UIQMNEGRIAQNCO-SNVBAGLBSA-N -1 1 383.420 -0.009 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575045362 951424474 /nfs/dbraw/zinc/42/44/74/951424474.db2.gz AVRXTUMCWYRVAX-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575045362 951424460 /nfs/dbraw/zinc/42/44/60/951424460.db2.gz AVRXTUMCWYRVAX-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575045363 951425959 /nfs/dbraw/zinc/42/59/59/951425959.db2.gz AVRXTUMCWYRVAX-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575045363 951425956 /nfs/dbraw/zinc/42/59/56/951425956.db2.gz AVRXTUMCWYRVAX-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575045366 951425731 /nfs/dbraw/zinc/42/57/31/951425731.db2.gz AYLZZACNAVKTHM-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575045366 951425728 /nfs/dbraw/zinc/42/57/28/951425728.db2.gz AYLZZACNAVKTHM-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575045367 951425533 /nfs/dbraw/zinc/42/55/33/951425533.db2.gz AYLZZACNAVKTHM-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575045367 951425522 /nfs/dbraw/zinc/42/55/22/951425522.db2.gz AYLZZACNAVKTHM-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575045833 951432534 /nfs/dbraw/zinc/43/25/34/951432534.db2.gz IWJMACAXVMYOAC-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575045833 951432528 /nfs/dbraw/zinc/43/25/28/951432528.db2.gz IWJMACAXVMYOAC-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575045834 951435749 /nfs/dbraw/zinc/43/57/49/951435749.db2.gz IWJMACAXVMYOAC-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575045834 951435747 /nfs/dbraw/zinc/43/57/47/951435747.db2.gz IWJMACAXVMYOAC-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575046247 951438622 /nfs/dbraw/zinc/43/86/22/951438622.db2.gz LYILXCGRZLVOMO-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575046247 951438613 /nfs/dbraw/zinc/43/86/13/951438613.db2.gz LYILXCGRZLVOMO-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575046250 951438794 /nfs/dbraw/zinc/43/87/94/951438794.db2.gz LYILXCGRZLVOMO-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575046250 951438788 /nfs/dbraw/zinc/43/87/88/951438788.db2.gz LYILXCGRZLVOMO-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575046697 951445102 /nfs/dbraw/zinc/44/51/02/951445102.db2.gz REBJOXGJQNPEGA-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575046697 951445098 /nfs/dbraw/zinc/44/50/98/951445098.db2.gz REBJOXGJQNPEGA-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575046698 951445423 /nfs/dbraw/zinc/44/54/23/951445423.db2.gz REBJOXGJQNPEGA-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575046698 951445419 /nfs/dbraw/zinc/44/54/19/951445419.db2.gz REBJOXGJQNPEGA-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575046799 951448724 /nfs/dbraw/zinc/44/87/24/951448724.db2.gz STSBNWLYRXUKDE-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575046799 951448722 /nfs/dbraw/zinc/44/87/22/951448722.db2.gz STSBNWLYRXUKDE-JTQLQIEISA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575046800 951448113 /nfs/dbraw/zinc/44/81/13/951448113.db2.gz STSBNWLYRXUKDE-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575046800 951448100 /nfs/dbraw/zinc/44/81/00/951448100.db2.gz STSBNWLYRXUKDE-SNVBAGLBSA-N -1 1 384.404 -0.362 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575046818 951448453 /nfs/dbraw/zinc/44/84/53/951448453.db2.gz UAYWXDCXXQSHBE-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575046818 951448448 /nfs/dbraw/zinc/44/84/48/951448448.db2.gz UAYWXDCXXQSHBE-JTQLQIEISA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575046819 951447819 /nfs/dbraw/zinc/44/78/19/951447819.db2.gz UAYWXDCXXQSHBE-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575046819 951447809 /nfs/dbraw/zinc/44/78/09/951447809.db2.gz UAYWXDCXXQSHBE-SNVBAGLBSA-N -1 1 384.404 -0.139 20 0 GBADMM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575046871 951449778 /nfs/dbraw/zinc/44/97/78/951449778.db2.gz VAGPIOKABUAANL-JTQLQIEISA-N -1 1 384.404 -0.717 20 0 GBADMM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575046873 951450424 /nfs/dbraw/zinc/45/04/24/951450424.db2.gz VAGPIOKABUAANL-SNVBAGLBSA-N -1 1 384.404 -0.717 20 0 GBADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052487 951466341 /nfs/dbraw/zinc/46/63/41/951466341.db2.gz KCBMCULZWUSWBJ-MRVPVSSYSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052488 951465489 /nfs/dbraw/zinc/46/54/89/951465489.db2.gz KCBMCULZWUSWBJ-QMMMGPOBSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575053098 951472917 /nfs/dbraw/zinc/47/29/17/951472917.db2.gz QLDRKUCIYXKMSA-SSDOTTSWSA-N -1 1 378.347 -0.020 20 0 GBADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575053100 951473169 /nfs/dbraw/zinc/47/31/69/951473169.db2.gz QLDRKUCIYXKMSA-ZETCQYMHSA-N -1 1 378.347 -0.020 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575053831 951487055 /nfs/dbraw/zinc/48/70/55/951487055.db2.gz FNOVSAWTYBHIQP-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575053831 951487045 /nfs/dbraw/zinc/48/70/45/951487045.db2.gz FNOVSAWTYBHIQP-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575053832 951486477 /nfs/dbraw/zinc/48/64/77/951486477.db2.gz FNOVSAWTYBHIQP-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575053832 951486470 /nfs/dbraw/zinc/48/64/70/951486470.db2.gz FNOVSAWTYBHIQP-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575055062 951499842 /nfs/dbraw/zinc/49/98/42/951499842.db2.gz MXVIQZUOWCRDEP-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575055062 951499836 /nfs/dbraw/zinc/49/98/36/951499836.db2.gz MXVIQZUOWCRDEP-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575055063 951499081 /nfs/dbraw/zinc/49/90/81/951499081.db2.gz MXVIQZUOWCRDEP-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575055063 951499077 /nfs/dbraw/zinc/49/90/77/951499077.db2.gz MXVIQZUOWCRDEP-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2cccnc12)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575055090 951499439 /nfs/dbraw/zinc/49/94/39/951499439.db2.gz NLBPDMPAECJQQE-JTQLQIEISA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2cccnc12)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575055090 951499436 /nfs/dbraw/zinc/49/94/36/951499436.db2.gz NLBPDMPAECJQQE-JTQLQIEISA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@H](CNC(=O)c1cnn2cccnc12)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575055091 951499491 /nfs/dbraw/zinc/49/94/91/951499491.db2.gz NLBPDMPAECJQQE-SNVBAGLBSA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@H](CNC(=O)c1cnn2cccnc12)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575055091 951499487 /nfs/dbraw/zinc/49/94/87/951499487.db2.gz NLBPDMPAECJQQE-SNVBAGLBSA-N -1 1 379.388 -0.046 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575055403 951506502 /nfs/dbraw/zinc/50/65/02/951506502.db2.gz SKNJQRPWWGYNFY-JTQLQIEISA-N -1 1 384.404 -0.464 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575055404 951504976 /nfs/dbraw/zinc/50/49/76/951504976.db2.gz SKNJQRPWWGYNFY-SNVBAGLBSA-N -1 1 384.404 -0.464 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575055556 951509703 /nfs/dbraw/zinc/50/97/03/951509703.db2.gz XDTWOUKJVOXGKI-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575055556 951509694 /nfs/dbraw/zinc/50/96/94/951509694.db2.gz XDTWOUKJVOXGKI-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575055557 951510068 /nfs/dbraw/zinc/51/00/68/951510068.db2.gz XDTWOUKJVOXGKI-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575055557 951510058 /nfs/dbraw/zinc/51/00/58/951510058.db2.gz XDTWOUKJVOXGKI-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575055584 951510470 /nfs/dbraw/zinc/51/04/70/951510470.db2.gz XTSVTXRLYAZANG-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575055585 951509668 /nfs/dbraw/zinc/50/96/68/951509668.db2.gz XTSVTXRLYAZANG-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575055670 951511235 /nfs/dbraw/zinc/51/12/35/951511235.db2.gz ZLYZCPWXKYLEMI-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575055670 951511229 /nfs/dbraw/zinc/51/12/29/951511229.db2.gz ZLYZCPWXKYLEMI-JTQLQIEISA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575055671 951511925 /nfs/dbraw/zinc/51/19/25/951511925.db2.gz ZLYZCPWXKYLEMI-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575055671 951511916 /nfs/dbraw/zinc/51/19/16/951511916.db2.gz ZLYZCPWXKYLEMI-SNVBAGLBSA-N -1 1 384.404 -0.110 20 0 GBADMM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575056644 951523318 /nfs/dbraw/zinc/52/33/18/951523318.db2.gz KLONSDXTJBWRHP-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575056644 951523313 /nfs/dbraw/zinc/52/33/13/951523313.db2.gz KLONSDXTJBWRHP-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575056645 951522234 /nfs/dbraw/zinc/52/22/34/951522234.db2.gz KLONSDXTJBWRHP-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575056645 951522225 /nfs/dbraw/zinc/52/22/25/951522225.db2.gz KLONSDXTJBWRHP-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575057013 951524513 /nfs/dbraw/zinc/52/45/13/951524513.db2.gz NWDMMABEOBMRAF-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575057013 951524510 /nfs/dbraw/zinc/52/45/10/951524510.db2.gz NWDMMABEOBMRAF-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575057015 951525724 /nfs/dbraw/zinc/52/57/24/951525724.db2.gz NWDMMABEOBMRAF-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575057015 951525715 /nfs/dbraw/zinc/52/57/15/951525715.db2.gz NWDMMABEOBMRAF-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575057778 951529552 /nfs/dbraw/zinc/52/95/52/951529552.db2.gz QJIVLRYWVDFSOX-MRVPVSSYSA-N -1 1 392.401 -0.695 20 0 GBADMM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575057780 951530475 /nfs/dbraw/zinc/53/04/75/951530475.db2.gz QJIVLRYWVDFSOX-QMMMGPOBSA-N -1 1 392.401 -0.695 20 0 GBADMM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575057871 951532430 /nfs/dbraw/zinc/53/24/30/951532430.db2.gz SEENPUAINNZKBL-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575057871 951532421 /nfs/dbraw/zinc/53/24/21/951532421.db2.gz SEENPUAINNZKBL-MRVPVSSYSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575057872 951533632 /nfs/dbraw/zinc/53/36/32/951533632.db2.gz SEENPUAINNZKBL-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575057872 951533621 /nfs/dbraw/zinc/53/36/21/951533621.db2.gz SEENPUAINNZKBL-QMMMGPOBSA-N -1 1 392.401 -0.116 20 0 GBADMM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575061869 951561067 /nfs/dbraw/zinc/56/10/67/951561067.db2.gz QGGUADMPXNFCQJ-SSDOTTSWSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575061876 951561432 /nfs/dbraw/zinc/56/14/32/951561432.db2.gz QGGUADMPXNFCQJ-ZETCQYMHSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575064592 951573315 /nfs/dbraw/zinc/57/33/15/951573315.db2.gz AEOOONZYODGEQH-RXMQYKEDSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575064592 951573309 /nfs/dbraw/zinc/57/33/09/951573309.db2.gz AEOOONZYODGEQH-RXMQYKEDSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575064593 951572928 /nfs/dbraw/zinc/57/29/28/951572928.db2.gz AEOOONZYODGEQH-YFKPBYRVSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575064593 951572920 /nfs/dbraw/zinc/57/29/20/951572920.db2.gz AEOOONZYODGEQH-YFKPBYRVSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575064606 951573802 /nfs/dbraw/zinc/57/38/02/951573802.db2.gz ATAWACBRIXDXLL-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575064607 951574129 /nfs/dbraw/zinc/57/41/29/951574129.db2.gz ATAWACBRIXDXLL-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575064644 951576625 /nfs/dbraw/zinc/57/66/25/951576625.db2.gz BVIAKSLPBKADQN-MRVPVSSYSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575064645 951576761 /nfs/dbraw/zinc/57/67/61/951576761.db2.gz BVIAKSLPBKADQN-QMMMGPOBSA-N -1 1 376.812 -0.057 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575064856 951578060 /nfs/dbraw/zinc/57/80/60/951578060.db2.gz DUZNWIIIDBXOTH-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575064856 951578055 /nfs/dbraw/zinc/57/80/55/951578055.db2.gz DUZNWIIIDBXOTH-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575064859 951579673 /nfs/dbraw/zinc/57/96/73/951579673.db2.gz DUZNWIIIDBXOTH-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575064859 951579668 /nfs/dbraw/zinc/57/96/68/951579668.db2.gz DUZNWIIIDBXOTH-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575064871 951579019 /nfs/dbraw/zinc/57/90/19/951579019.db2.gz DYVQMJRWCZGJRU-SECBINFHSA-N -1 1 386.424 -0.124 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575064871 951579009 /nfs/dbraw/zinc/57/90/09/951579009.db2.gz DYVQMJRWCZGJRU-SECBINFHSA-N -1 1 386.424 -0.124 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575064872 951579831 /nfs/dbraw/zinc/57/98/31/951579831.db2.gz DYVQMJRWCZGJRU-VIFPVBQESA-N -1 1 386.424 -0.124 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575064872 951579823 /nfs/dbraw/zinc/57/98/23/951579823.db2.gz DYVQMJRWCZGJRU-VIFPVBQESA-N -1 1 386.424 -0.124 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575065479 951587751 /nfs/dbraw/zinc/58/77/51/951587751.db2.gz HLQIZLRLIDRAIE-RXMQYKEDSA-N -1 1 383.829 -0.022 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575065479 951587742 /nfs/dbraw/zinc/58/77/42/951587742.db2.gz HLQIZLRLIDRAIE-RXMQYKEDSA-N -1 1 383.829 -0.022 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575065482 951587064 /nfs/dbraw/zinc/58/70/64/951587064.db2.gz HLQIZLRLIDRAIE-YFKPBYRVSA-N -1 1 383.829 -0.022 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575065482 951587054 /nfs/dbraw/zinc/58/70/54/951587054.db2.gz HLQIZLRLIDRAIE-YFKPBYRVSA-N -1 1 383.829 -0.022 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575065727 951586783 /nfs/dbraw/zinc/58/67/83/951586783.db2.gz HZZAEKCUDFTSHU-SECBINFHSA-N -1 1 386.424 -0.124 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575065727 951586772 /nfs/dbraw/zinc/58/67/72/951586772.db2.gz HZZAEKCUDFTSHU-SECBINFHSA-N -1 1 386.424 -0.124 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575065728 951586948 /nfs/dbraw/zinc/58/69/48/951586948.db2.gz HZZAEKCUDFTSHU-VIFPVBQESA-N -1 1 386.424 -0.124 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575065728 951586934 /nfs/dbraw/zinc/58/69/34/951586934.db2.gz HZZAEKCUDFTSHU-VIFPVBQESA-N -1 1 386.424 -0.124 20 0 GBADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575065909 951588550 /nfs/dbraw/zinc/58/85/50/951588550.db2.gz CNVOJBGSLJDNIH-JTQLQIEISA-N -1 1 385.436 -0.097 20 0 GBADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575065912 951590819 /nfs/dbraw/zinc/59/08/19/951590819.db2.gz CNVOJBGSLJDNIH-SNVBAGLBSA-N -1 1 385.436 -0.097 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575066484 951596931 /nfs/dbraw/zinc/59/69/31/951596931.db2.gz MOJXNCMZSLCSTF-SECBINFHSA-N -1 1 386.424 -0.702 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575066485 951597154 /nfs/dbraw/zinc/59/71/54/951597154.db2.gz MOJXNCMZSLCSTF-VIFPVBQESA-N -1 1 386.424 -0.702 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575066952 951602236 /nfs/dbraw/zinc/60/22/36/951602236.db2.gz NZJZJHFSEHGIJL-RXMQYKEDSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575066954 951602155 /nfs/dbraw/zinc/60/21/55/951602155.db2.gz NZJZJHFSEHGIJL-YFKPBYRVSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575066977 951603034 /nfs/dbraw/zinc/60/30/34/951603034.db2.gz OHKXHJXCZIOMCB-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575066977 951603023 /nfs/dbraw/zinc/60/30/23/951603023.db2.gz OHKXHJXCZIOMCB-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575066978 951602619 /nfs/dbraw/zinc/60/26/19/951602619.db2.gz OHKXHJXCZIOMCB-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575066978 951602609 /nfs/dbraw/zinc/60/26/09/951602609.db2.gz OHKXHJXCZIOMCB-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575067007 951603156 /nfs/dbraw/zinc/60/31/56/951603156.db2.gz ORBFTJBZIHPVPC-SECBINFHSA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575067009 951601224 /nfs/dbraw/zinc/60/12/24/951601224.db2.gz ORBFTJBZIHPVPC-VIFPVBQESA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575067264 951606966 /nfs/dbraw/zinc/60/69/66/951606966.db2.gz PQAIAWCBNHBVQP-JTQLQIEISA-N -1 1 382.432 -0.079 20 0 GBADMM C[C@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575067265 951607367 /nfs/dbraw/zinc/60/73/67/951607367.db2.gz PQAIAWCBNHBVQP-SNVBAGLBSA-N -1 1 382.432 -0.079 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575067290 951606876 /nfs/dbraw/zinc/60/68/76/951606876.db2.gz QITYKTDJLBKNTC-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575067290 951606869 /nfs/dbraw/zinc/60/68/69/951606869.db2.gz QITYKTDJLBKNTC-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575067291 951607121 /nfs/dbraw/zinc/60/71/21/951607121.db2.gz QITYKTDJLBKNTC-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575067291 951607116 /nfs/dbraw/zinc/60/71/16/951607116.db2.gz QITYKTDJLBKNTC-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067302 951609313 /nfs/dbraw/zinc/60/93/13/951609313.db2.gz QVHFFZHNMPJWHO-SECBINFHSA-N -1 1 385.388 -0.383 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067303 951609687 /nfs/dbraw/zinc/60/96/87/951609687.db2.gz QVHFFZHNMPJWHO-VIFPVBQESA-N -1 1 385.388 -0.383 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575067322 951609719 /nfs/dbraw/zinc/60/97/19/951609719.db2.gz RHFGDWUOAIYSEN-RXMQYKEDSA-N -1 1 383.829 -0.022 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575067322 951609712 /nfs/dbraw/zinc/60/97/12/951609712.db2.gz RHFGDWUOAIYSEN-RXMQYKEDSA-N -1 1 383.829 -0.022 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575067323 951609600 /nfs/dbraw/zinc/60/96/00/951609600.db2.gz RHFGDWUOAIYSEN-YFKPBYRVSA-N -1 1 383.829 -0.022 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575067323 951609595 /nfs/dbraw/zinc/60/95/95/951609595.db2.gz RHFGDWUOAIYSEN-YFKPBYRVSA-N -1 1 383.829 -0.022 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575067384 951610870 /nfs/dbraw/zinc/61/08/70/951610870.db2.gz RWPMANDYVCQWRN-SECBINFHSA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575067384 951610861 /nfs/dbraw/zinc/61/08/61/951610861.db2.gz RWPMANDYVCQWRN-SECBINFHSA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575067386 951611611 /nfs/dbraw/zinc/61/16/11/951611611.db2.gz RWPMANDYVCQWRN-VIFPVBQESA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575067386 951611604 /nfs/dbraw/zinc/61/16/04/951611604.db2.gz RWPMANDYVCQWRN-VIFPVBQESA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575067419 951611816 /nfs/dbraw/zinc/61/18/16/951611816.db2.gz SJRRIVIRCOITMZ-RXMQYKEDSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575067419 951611812 /nfs/dbraw/zinc/61/18/12/951611812.db2.gz SJRRIVIRCOITMZ-RXMQYKEDSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575067420 951612413 /nfs/dbraw/zinc/61/24/13/951612413.db2.gz SJRRIVIRCOITMZ-YFKPBYRVSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575067420 951612406 /nfs/dbraw/zinc/61/24/06/951612406.db2.gz SJRRIVIRCOITMZ-YFKPBYRVSA-N -1 1 383.829 -0.245 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575067520 951614842 /nfs/dbraw/zinc/61/48/42/951614842.db2.gz UROJDUPBYOIFRI-SECBINFHSA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575067520 951614838 /nfs/dbraw/zinc/61/48/38/951614838.db2.gz UROJDUPBYOIFRI-SECBINFHSA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575067521 951613609 /nfs/dbraw/zinc/61/36/09/951613609.db2.gz UROJDUPBYOIFRI-VIFPVBQESA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575067521 951613602 /nfs/dbraw/zinc/61/36/02/951613602.db2.gz UROJDUPBYOIFRI-VIFPVBQESA-N -1 1 386.424 -0.347 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575067786 951623836 /nfs/dbraw/zinc/62/38/36/951623836.db2.gz YZOQBPOVOMLJQK-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575067786 951623832 /nfs/dbraw/zinc/62/38/32/951623832.db2.gz YZOQBPOVOMLJQK-SECBINFHSA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575067787 951622934 /nfs/dbraw/zinc/62/29/34/951622934.db2.gz YZOQBPOVOMLJQK-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575067787 951622923 /nfs/dbraw/zinc/62/29/23/951622923.db2.gz YZOQBPOVOMLJQK-VIFPVBQESA-N -1 1 385.388 -0.028 20 0 GBADMM C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575103394 951876357 /nfs/dbraw/zinc/87/63/57/951876357.db2.gz SZKCYFFMQLFGFF-SSDOTTSWSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575103394 951876349 /nfs/dbraw/zinc/87/63/49/951876349.db2.gz SZKCYFFMQLFGFF-SSDOTTSWSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575103395 951875463 /nfs/dbraw/zinc/87/54/63/951875463.db2.gz SZKCYFFMQLFGFF-ZETCQYMHSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575103395 951875459 /nfs/dbraw/zinc/87/54/59/951875459.db2.gz SZKCYFFMQLFGFF-ZETCQYMHSA-N -1 1 391.417 -0.225 20 0 GBADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575127926 952062623 /nfs/dbraw/zinc/06/26/23/952062623.db2.gz DKFCAVKTLGGESW-KRWDZBQOSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575127926 952062614 /nfs/dbraw/zinc/06/26/14/952062614.db2.gz DKFCAVKTLGGESW-KRWDZBQOSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575127927 952062284 /nfs/dbraw/zinc/06/22/84/952062284.db2.gz DKFCAVKTLGGESW-QGZVFWFLSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575127927 952062273 /nfs/dbraw/zinc/06/22/73/952062273.db2.gz DKFCAVKTLGGESW-QGZVFWFLSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575128398 952065887 /nfs/dbraw/zinc/06/58/87/952065887.db2.gz HWXSQAIGUACLSE-HNNXBMFYSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575128398 952065877 /nfs/dbraw/zinc/06/58/77/952065877.db2.gz HWXSQAIGUACLSE-HNNXBMFYSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575128399 952065669 /nfs/dbraw/zinc/06/56/69/952065669.db2.gz HWXSQAIGUACLSE-OAHLLOKOSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575128399 952065661 /nfs/dbraw/zinc/06/56/61/952065661.db2.gz HWXSQAIGUACLSE-OAHLLOKOSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575128638 952070411 /nfs/dbraw/zinc/07/04/11/952070411.db2.gz KXWVPSXRMNHKLA-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575128638 952070405 /nfs/dbraw/zinc/07/04/05/952070405.db2.gz KXWVPSXRMNHKLA-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575128639 952071299 /nfs/dbraw/zinc/07/12/99/952071299.db2.gz KXWVPSXRMNHKLA-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575128639 952071287 /nfs/dbraw/zinc/07/12/87/952071287.db2.gz KXWVPSXRMNHKLA-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575128640 952070681 /nfs/dbraw/zinc/07/06/81/952070681.db2.gz KXWVPSXRMNHKLA-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575128640 952070676 /nfs/dbraw/zinc/07/06/76/952070676.db2.gz KXWVPSXRMNHKLA-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575128641 952070516 /nfs/dbraw/zinc/07/05/16/952070516.db2.gz KXWVPSXRMNHKLA-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575128641 952070510 /nfs/dbraw/zinc/07/05/10/952070510.db2.gz KXWVPSXRMNHKLA-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575128688 952070704 /nfs/dbraw/zinc/07/07/04/952070704.db2.gz MCNFJESCWYEADJ-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575128688 952070701 /nfs/dbraw/zinc/07/07/01/952070701.db2.gz MCNFJESCWYEADJ-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575128689 952070575 /nfs/dbraw/zinc/07/05/75/952070575.db2.gz MCNFJESCWYEADJ-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575128689 952070571 /nfs/dbraw/zinc/07/05/71/952070571.db2.gz MCNFJESCWYEADJ-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575129058 952075222 /nfs/dbraw/zinc/07/52/22/952075222.db2.gz PXAZUSDGTMQOPD-KRWDZBQOSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575129058 952075211 /nfs/dbraw/zinc/07/52/11/952075211.db2.gz PXAZUSDGTMQOPD-KRWDZBQOSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575129059 952076481 /nfs/dbraw/zinc/07/64/81/952076481.db2.gz PXAZUSDGTMQOPD-QGZVFWFLSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575129059 952076472 /nfs/dbraw/zinc/07/64/72/952076472.db2.gz PXAZUSDGTMQOPD-QGZVFWFLSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575129064 952076517 /nfs/dbraw/zinc/07/65/17/952076517.db2.gz PZOWFVLFVGPVRZ-INIZCTEOSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575129064 952076512 /nfs/dbraw/zinc/07/65/12/952076512.db2.gz PZOWFVLFVGPVRZ-INIZCTEOSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575129065 952076644 /nfs/dbraw/zinc/07/66/44/952076644.db2.gz PZOWFVLFVGPVRZ-MRXNPFEDSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575129065 952076639 /nfs/dbraw/zinc/07/66/39/952076639.db2.gz PZOWFVLFVGPVRZ-MRXNPFEDSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575131784 952087873 /nfs/dbraw/zinc/08/78/73/952087873.db2.gz BMPLEMLMQAROHS-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575131784 952087863 /nfs/dbraw/zinc/08/78/63/952087863.db2.gz BMPLEMLMQAROHS-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575131788 952088937 /nfs/dbraw/zinc/08/89/37/952088937.db2.gz BMPLEMLMQAROHS-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575131788 952088930 /nfs/dbraw/zinc/08/89/30/952088930.db2.gz BMPLEMLMQAROHS-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1nncn1C ZINC001575132126 952090858 /nfs/dbraw/zinc/09/08/58/952090858.db2.gz CQZQHEDQQVCMMP-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1nncn1C ZINC001575132126 952090850 /nfs/dbraw/zinc/09/08/50/952090850.db2.gz CQZQHEDQQVCMMP-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1nncn1C ZINC001575132129 952091640 /nfs/dbraw/zinc/09/16/40/952091640.db2.gz CQZQHEDQQVCMMP-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1nncn1C ZINC001575132129 952091632 /nfs/dbraw/zinc/09/16/32/952091632.db2.gz CQZQHEDQQVCMMP-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575132564 952095032 /nfs/dbraw/zinc/09/50/32/952095032.db2.gz GMMCIXAGRKCJPU-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575132564 952095022 /nfs/dbraw/zinc/09/50/22/952095022.db2.gz GMMCIXAGRKCJPU-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575132565 952096418 /nfs/dbraw/zinc/09/64/18/952096418.db2.gz GMMCIXAGRKCJPU-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575132565 952096409 /nfs/dbraw/zinc/09/64/09/952096409.db2.gz GMMCIXAGRKCJPU-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575132737 952097734 /nfs/dbraw/zinc/09/77/34/952097734.db2.gz ALKKELFWMLJRBM-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575132737 952097726 /nfs/dbraw/zinc/09/77/26/952097726.db2.gz ALKKELFWMLJRBM-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575132739 952098092 /nfs/dbraw/zinc/09/80/92/952098092.db2.gz ALKKELFWMLJRBM-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575132739 952098084 /nfs/dbraw/zinc/09/80/84/952098084.db2.gz ALKKELFWMLJRBM-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575132743 952097539 /nfs/dbraw/zinc/09/75/39/952097539.db2.gz ANLMRZNRXNYIAD-BMLIUANNSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575132744 952098186 /nfs/dbraw/zinc/09/81/86/952098186.db2.gz ANLMRZNRXNYIAD-BTDLBPIBSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575132745 952097643 /nfs/dbraw/zinc/09/76/43/952097643.db2.gz ANLMRZNRXNYIAD-DYZYQPBXSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575132746 952098659 /nfs/dbraw/zinc/09/86/59/952098659.db2.gz ANLMRZNRXNYIAD-QGHHPUGFSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575133038 952099523 /nfs/dbraw/zinc/09/95/23/952099523.db2.gz JQSWAWVRKICCHH-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575133038 952099514 /nfs/dbraw/zinc/09/95/14/952099514.db2.gz JQSWAWVRKICCHH-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575133040 952099910 /nfs/dbraw/zinc/09/99/10/952099910.db2.gz JQSWAWVRKICCHH-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575133040 952099901 /nfs/dbraw/zinc/09/99/01/952099901.db2.gz JQSWAWVRKICCHH-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575133042 952100545 /nfs/dbraw/zinc/10/05/45/952100545.db2.gz JQSWAWVRKICCHH-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575133042 952100540 /nfs/dbraw/zinc/10/05/40/952100540.db2.gz JQSWAWVRKICCHH-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575133044 952102541 /nfs/dbraw/zinc/10/25/41/952102541.db2.gz JQSWAWVRKICCHH-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575133044 952102537 /nfs/dbraw/zinc/10/25/37/952102537.db2.gz JQSWAWVRKICCHH-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575133499 952103751 /nfs/dbraw/zinc/10/37/51/952103751.db2.gz KNEPKQRJRJEQTB-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575133499 952103745 /nfs/dbraw/zinc/10/37/45/952103745.db2.gz KNEPKQRJRJEQTB-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575133509 952104327 /nfs/dbraw/zinc/10/43/27/952104327.db2.gz KNEPKQRJRJEQTB-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575133509 952104324 /nfs/dbraw/zinc/10/43/24/952104324.db2.gz KNEPKQRJRJEQTB-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575133639 952105602 /nfs/dbraw/zinc/10/56/02/952105602.db2.gz FRBBTECVKZTQOO-BMLIUANNSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575133642 952105988 /nfs/dbraw/zinc/10/59/88/952105988.db2.gz FRBBTECVKZTQOO-BTDLBPIBSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575133644 952106194 /nfs/dbraw/zinc/10/61/94/952106194.db2.gz FRBBTECVKZTQOO-DYZYQPBXSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575133646 952105396 /nfs/dbraw/zinc/10/53/96/952105396.db2.gz FRBBTECVKZTQOO-QGHHPUGFSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575133859 952107020 /nfs/dbraw/zinc/10/70/20/952107020.db2.gz GXDFYPRMUYSLLF-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575133859 952107015 /nfs/dbraw/zinc/10/70/15/952107015.db2.gz GXDFYPRMUYSLLF-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575133865 952106907 /nfs/dbraw/zinc/10/69/07/952106907.db2.gz GXDFYPRMUYSLLF-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575133865 952106903 /nfs/dbraw/zinc/10/69/03/952106903.db2.gz GXDFYPRMUYSLLF-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575133882 952107905 /nfs/dbraw/zinc/10/79/05/952107905.db2.gz GZEJFCHDBHMYMO-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575133882 952107902 /nfs/dbraw/zinc/10/79/02/952107902.db2.gz GZEJFCHDBHMYMO-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575133885 952107235 /nfs/dbraw/zinc/10/72/35/952107235.db2.gz GZEJFCHDBHMYMO-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575133885 952107232 /nfs/dbraw/zinc/10/72/32/952107232.db2.gz GZEJFCHDBHMYMO-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575134112 952109686 /nfs/dbraw/zinc/10/96/86/952109686.db2.gz MFDBEXOYEWDJJK-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575134112 952109680 /nfs/dbraw/zinc/10/96/80/952109680.db2.gz MFDBEXOYEWDJJK-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575134114 952108818 /nfs/dbraw/zinc/10/88/18/952108818.db2.gz MFDBEXOYEWDJJK-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575134114 952108815 /nfs/dbraw/zinc/10/88/15/952108815.db2.gz MFDBEXOYEWDJJK-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575134116 952108853 /nfs/dbraw/zinc/10/88/53/952108853.db2.gz MFDBEXOYEWDJJK-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575134116 952108846 /nfs/dbraw/zinc/10/88/46/952108846.db2.gz MFDBEXOYEWDJJK-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575134119 952108836 /nfs/dbraw/zinc/10/88/36/952108836.db2.gz MFDBEXOYEWDJJK-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575134119 952108830 /nfs/dbraw/zinc/10/88/30/952108830.db2.gz MFDBEXOYEWDJJK-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575134717 952111707 /nfs/dbraw/zinc/11/17/07/952111707.db2.gz OMNZMFDFAOBLRF-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575134717 952111700 /nfs/dbraw/zinc/11/17/00/952111700.db2.gz OMNZMFDFAOBLRF-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575134718 952112902 /nfs/dbraw/zinc/11/29/02/952112902.db2.gz OMNZMFDFAOBLRF-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575134718 952112898 /nfs/dbraw/zinc/11/28/98/952112898.db2.gz OMNZMFDFAOBLRF-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575134766 952113712 /nfs/dbraw/zinc/11/37/12/952113712.db2.gz PALSESBSQHDQEG-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575134766 952113704 /nfs/dbraw/zinc/11/37/04/952113704.db2.gz PALSESBSQHDQEG-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575134768 952114618 /nfs/dbraw/zinc/11/46/18/952114618.db2.gz PALSESBSQHDQEG-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575134768 952114617 /nfs/dbraw/zinc/11/46/17/952114617.db2.gz PALSESBSQHDQEG-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575135141 952115046 /nfs/dbraw/zinc/11/50/46/952115046.db2.gz KHASPNQZYGVDCK-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575135141 952115040 /nfs/dbraw/zinc/11/50/40/952115040.db2.gz KHASPNQZYGVDCK-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575135142 952116365 /nfs/dbraw/zinc/11/63/65/952116365.db2.gz KHASPNQZYGVDCK-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575135142 952116362 /nfs/dbraw/zinc/11/63/62/952116362.db2.gz KHASPNQZYGVDCK-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575135809 952121207 /nfs/dbraw/zinc/12/12/07/952121207.db2.gz RXTPUVFANKHUCS-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575135809 952121204 /nfs/dbraw/zinc/12/12/04/952121204.db2.gz RXTPUVFANKHUCS-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575135811 952121625 /nfs/dbraw/zinc/12/16/25/952121625.db2.gz RXTPUVFANKHUCS-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575135811 952121619 /nfs/dbraw/zinc/12/16/19/952121619.db2.gz RXTPUVFANKHUCS-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1ccnn1C ZINC001575135856 952121249 /nfs/dbraw/zinc/12/12/49/952121249.db2.gz SLFYGRVXJYIPJE-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1ccnn1C ZINC001575135856 952121247 /nfs/dbraw/zinc/12/12/47/952121247.db2.gz SLFYGRVXJYIPJE-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1ccnn1C ZINC001575135857 952120937 /nfs/dbraw/zinc/12/09/37/952120937.db2.gz SLFYGRVXJYIPJE-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1ccnn1C ZINC001575135857 952120930 /nfs/dbraw/zinc/12/09/30/952120930.db2.gz SLFYGRVXJYIPJE-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575136229 952122972 /nfs/dbraw/zinc/12/29/72/952122972.db2.gz NXUREEVZHCPKEF-BMLIUANNSA-N -1 1 386.416 -0.271 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575136230 952122689 /nfs/dbraw/zinc/12/26/89/952122689.db2.gz NXUREEVZHCPKEF-BTDLBPIBSA-N -1 1 386.416 -0.271 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575136232 952122441 /nfs/dbraw/zinc/12/24/41/952122441.db2.gz NXUREEVZHCPKEF-DYZYQPBXSA-N -1 1 386.416 -0.271 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575136234 952122627 /nfs/dbraw/zinc/12/26/27/952122627.db2.gz NXUREEVZHCPKEF-QGHHPUGFSA-N -1 1 386.416 -0.271 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575136300 952124083 /nfs/dbraw/zinc/12/40/83/952124083.db2.gz UNZSWNSCZDNKQE-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575136300 952124077 /nfs/dbraw/zinc/12/40/77/952124077.db2.gz UNZSWNSCZDNKQE-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575136303 952123775 /nfs/dbraw/zinc/12/37/75/952123775.db2.gz UNZSWNSCZDNKQE-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575136303 952123772 /nfs/dbraw/zinc/12/37/72/952123772.db2.gz UNZSWNSCZDNKQE-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575136369 952123916 /nfs/dbraw/zinc/12/39/16/952123916.db2.gz VDADHGDGZAYFTN-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575136369 952123908 /nfs/dbraw/zinc/12/39/08/952123908.db2.gz VDADHGDGZAYFTN-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575136374 952124213 /nfs/dbraw/zinc/12/42/13/952124213.db2.gz VDADHGDGZAYFTN-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575136374 952124208 /nfs/dbraw/zinc/12/42/08/952124208.db2.gz VDADHGDGZAYFTN-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCn1cnccc1=O ZINC001575136453 952126438 /nfs/dbraw/zinc/12/64/38/952126438.db2.gz VKWHDVYBCNPONE-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCn1cnccc1=O ZINC001575136453 952126434 /nfs/dbraw/zinc/12/64/34/952126434.db2.gz VKWHDVYBCNPONE-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCn1cnccc1=O ZINC001575136455 952126414 /nfs/dbraw/zinc/12/64/14/952126414.db2.gz VKWHDVYBCNPONE-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCn1cnccc1=O ZINC001575136455 952126412 /nfs/dbraw/zinc/12/64/12/952126412.db2.gz VKWHDVYBCNPONE-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575136477 952126150 /nfs/dbraw/zinc/12/61/50/952126150.db2.gz POHRQYDQJBTXQE-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575136477 952126145 /nfs/dbraw/zinc/12/61/45/952126145.db2.gz POHRQYDQJBTXQE-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575136480 952126577 /nfs/dbraw/zinc/12/65/77/952126577.db2.gz POHRQYDQJBTXQE-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575136480 952126575 /nfs/dbraw/zinc/12/65/75/952126575.db2.gz POHRQYDQJBTXQE-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575136799 952127848 /nfs/dbraw/zinc/12/78/48/952127848.db2.gz XAVMWFQRZXICHN-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575136799 952127841 /nfs/dbraw/zinc/12/78/41/952127841.db2.gz XAVMWFQRZXICHN-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575136800 952128372 /nfs/dbraw/zinc/12/83/72/952128372.db2.gz XAVMWFQRZXICHN-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575136800 952128364 /nfs/dbraw/zinc/12/83/64/952128364.db2.gz XAVMWFQRZXICHN-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575136838 952128858 /nfs/dbraw/zinc/12/88/58/952128858.db2.gz XREGPIDBZARDQG-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575136838 952128853 /nfs/dbraw/zinc/12/88/53/952128853.db2.gz XREGPIDBZARDQG-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575136840 952129230 /nfs/dbraw/zinc/12/92/30/952129230.db2.gz XREGPIDBZARDQG-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575136840 952129227 /nfs/dbraw/zinc/12/92/27/952129227.db2.gz XREGPIDBZARDQG-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575136842 952128964 /nfs/dbraw/zinc/12/89/64/952128964.db2.gz XREGPIDBZARDQG-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575136842 952128961 /nfs/dbraw/zinc/12/89/61/952128961.db2.gz XREGPIDBZARDQG-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575136844 952129904 /nfs/dbraw/zinc/12/99/04/952129904.db2.gz XREGPIDBZARDQG-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575136844 952129900 /nfs/dbraw/zinc/12/99/00/952129900.db2.gz XREGPIDBZARDQG-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575136901 952130528 /nfs/dbraw/zinc/13/05/28/952130528.db2.gz RITMOEAIWSRKGA-APPDUMDISA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575136902 952131250 /nfs/dbraw/zinc/13/12/50/952131250.db2.gz RITMOEAIWSRKGA-DIFFPNOSSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575136903 952130855 /nfs/dbraw/zinc/13/08/55/952130855.db2.gz RITMOEAIWSRKGA-GTNSWQLSSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575136904 952130770 /nfs/dbraw/zinc/13/07/70/952130770.db2.gz RITMOEAIWSRKGA-PIGZYNQJSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575136995 952132639 /nfs/dbraw/zinc/13/26/39/952132639.db2.gz YXSUSFSTKNJHBB-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575136995 952132636 /nfs/dbraw/zinc/13/26/36/952132636.db2.gz YXSUSFSTKNJHBB-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575136996 952132683 /nfs/dbraw/zinc/13/26/83/952132683.db2.gz YXSUSFSTKNJHBB-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575136996 952132679 /nfs/dbraw/zinc/13/26/79/952132679.db2.gz YXSUSFSTKNJHBB-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575136997 952133239 /nfs/dbraw/zinc/13/32/39/952133239.db2.gz YXSUSFSTKNJHBB-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575136997 952133235 /nfs/dbraw/zinc/13/32/35/952133235.db2.gz YXSUSFSTKNJHBB-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575136998 952133176 /nfs/dbraw/zinc/13/31/76/952133176.db2.gz YXSUSFSTKNJHBB-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575136998 952133170 /nfs/dbraw/zinc/13/31/70/952133170.db2.gz YXSUSFSTKNJHBB-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1nccn1C ZINC001575137007 952133119 /nfs/dbraw/zinc/13/31/19/952133119.db2.gz ZFTXAHBQULOMPL-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1nccn1C ZINC001575137007 952133116 /nfs/dbraw/zinc/13/31/16/952133116.db2.gz ZFTXAHBQULOMPL-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1nccn1C ZINC001575137008 952132805 /nfs/dbraw/zinc/13/28/05/952132805.db2.gz ZFTXAHBQULOMPL-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1nccn1C ZINC001575137008 952132800 /nfs/dbraw/zinc/13/28/00/952132800.db2.gz ZFTXAHBQULOMPL-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575137025 952132357 /nfs/dbraw/zinc/13/23/57/952132357.db2.gz SDKRBLXHGKSEPH-BMLIUANNSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575137026 952133082 /nfs/dbraw/zinc/13/30/82/952133082.db2.gz SDKRBLXHGKSEPH-BTDLBPIBSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575137027 952133075 /nfs/dbraw/zinc/13/30/75/952133075.db2.gz SDKRBLXHGKSEPH-DYZYQPBXSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575137028 952133199 /nfs/dbraw/zinc/13/31/99/952133199.db2.gz SDKRBLXHGKSEPH-QGHHPUGFSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575137117 952133961 /nfs/dbraw/zinc/13/39/61/952133961.db2.gz UVPSOZHOKHBWFM-CVEARBPZSA-N -1 1 376.396 -0.096 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575137118 952133804 /nfs/dbraw/zinc/13/38/04/952133804.db2.gz UVPSOZHOKHBWFM-HOTGVXAUSA-N -1 1 376.396 -0.096 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575137119 952134656 /nfs/dbraw/zinc/13/46/56/952134656.db2.gz UVPSOZHOKHBWFM-HZPDHXFCSA-N -1 1 376.396 -0.096 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575137120 952134966 /nfs/dbraw/zinc/13/49/66/952134966.db2.gz UVPSOZHOKHBWFM-JKSUJKDBSA-N -1 1 376.396 -0.096 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575139687 952140357 /nfs/dbraw/zinc/14/03/57/952140357.db2.gz AKKBYOIEDMZLJB-NEPJUHHUSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575139688 952140225 /nfs/dbraw/zinc/14/02/25/952140225.db2.gz AKKBYOIEDMZLJB-NWDGAFQWSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575139689 952140688 /nfs/dbraw/zinc/14/06/88/952140688.db2.gz AKKBYOIEDMZLJB-RYUDHWBXSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575139690 952140862 /nfs/dbraw/zinc/14/08/62/952140862.db2.gz AKKBYOIEDMZLJB-VXGBXAGGSA-N -1 1 382.432 -0.204 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139693 952140428 /nfs/dbraw/zinc/14/04/28/952140428.db2.gz AOMHHWMQSFUETJ-JTQLQIEISA-N -1 1 382.450 -0.839 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139694 952140493 /nfs/dbraw/zinc/14/04/93/952140493.db2.gz AOMHHWMQSFUETJ-SNVBAGLBSA-N -1 1 382.450 -0.839 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575139705 952140281 /nfs/dbraw/zinc/14/02/81/952140281.db2.gz AVZCSNMDGZTGKU-IJLUTSLNSA-N -1 1 382.432 -0.125 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575139706 952140411 /nfs/dbraw/zinc/14/04/11/952140411.db2.gz AVZCSNMDGZTGKU-QJPTWQEYSA-N -1 1 382.432 -0.125 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC001575139745 952140391 /nfs/dbraw/zinc/14/03/91/952140391.db2.gz BKPZLKLOPSNJID-KRWDZBQOSA-N -1 1 381.400 -0.277 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC001575139747 952140106 /nfs/dbraw/zinc/14/01/06/952140106.db2.gz BKPZLKLOPSNJID-QGZVFWFLSA-N -1 1 381.400 -0.277 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1ccnn1C ZINC001575139748 952140905 /nfs/dbraw/zinc/14/09/05/952140905.db2.gz BLYISUHLEUFSLD-LLVKDONJSA-N -1 1 386.420 -0.712 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1ccnn1C ZINC001575139750 952140920 /nfs/dbraw/zinc/14/09/20/952140920.db2.gz BLYISUHLEUFSLD-NSHDSACASA-N -1 1 386.420 -0.712 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575139760 952140578 /nfs/dbraw/zinc/14/05/78/952140578.db2.gz BRNQOFAOXDNRPQ-APPDUMDISA-N -1 1 387.448 -0.214 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575139761 952140501 /nfs/dbraw/zinc/14/05/01/952140501.db2.gz BRNQOFAOXDNRPQ-DIFFPNOSSA-N -1 1 387.448 -0.214 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575139763 952141049 /nfs/dbraw/zinc/14/10/49/952141049.db2.gz BRNQOFAOXDNRPQ-GTNSWQLSSA-N -1 1 387.448 -0.214 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575139765 952140182 /nfs/dbraw/zinc/14/01/82/952140182.db2.gz BRNQOFAOXDNRPQ-PIGZYNQJSA-N -1 1 387.448 -0.214 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575139768 952140482 /nfs/dbraw/zinc/14/04/82/952140482.db2.gz BVMIQODJAVGTHO-LLVKDONJSA-N -1 1 388.436 -0.857 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575139777 952140746 /nfs/dbraw/zinc/14/07/46/952140746.db2.gz BVMIQODJAVGTHO-NSHDSACASA-N -1 1 388.436 -0.857 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575139804 952142473 /nfs/dbraw/zinc/14/24/73/952142473.db2.gz CBFUNQLNLZIWSI-LLVKDONJSA-N -1 1 389.464 -0.110 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575139808 952142504 /nfs/dbraw/zinc/14/25/04/952142504.db2.gz CBFUNQLNLZIWSI-NSHDSACASA-N -1 1 389.464 -0.110 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575139818 952142210 /nfs/dbraw/zinc/14/22/10/952142210.db2.gz CIMOAJXWLKDVRS-JTQLQIEISA-N -1 1 382.450 -0.838 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575139821 952141956 /nfs/dbraw/zinc/14/19/56/952141956.db2.gz CIMOAJXWLKDVRS-SNVBAGLBSA-N -1 1 382.450 -0.838 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575139864 952142241 /nfs/dbraw/zinc/14/22/41/952142241.db2.gz CTJZPGYCDJWPCA-GHMZBOCLSA-N -1 1 383.420 -0.809 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575139867 952142540 /nfs/dbraw/zinc/14/25/40/952142540.db2.gz CTJZPGYCDJWPCA-MNOVXSKESA-N -1 1 383.420 -0.809 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575139869 952142087 /nfs/dbraw/zinc/14/20/87/952142087.db2.gz CTJZPGYCDJWPCA-QWRGUYRKSA-N -1 1 383.420 -0.809 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575139872 952142350 /nfs/dbraw/zinc/14/23/50/952142350.db2.gz CTJZPGYCDJWPCA-WDEREUQCSA-N -1 1 383.420 -0.809 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575140414 952142566 /nfs/dbraw/zinc/14/25/66/952142566.db2.gz CWAJLFXZBJGKJA-NEPJUHHUSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575140417 952142515 /nfs/dbraw/zinc/14/25/15/952142515.db2.gz CWAJLFXZBJGKJA-NWDGAFQWSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575140421 952142402 /nfs/dbraw/zinc/14/24/02/952142402.db2.gz CWAJLFXZBJGKJA-RYUDHWBXSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575140428 952142195 /nfs/dbraw/zinc/14/21/95/952142195.db2.gz CWAJLFXZBJGKJA-VXGBXAGGSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575141368 952143478 /nfs/dbraw/zinc/14/34/78/952143478.db2.gz GSOAXHFHWRKYPM-JTQLQIEISA-N -1 1 383.420 -0.494 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575141370 952143989 /nfs/dbraw/zinc/14/39/89/952143989.db2.gz GSOAXHFHWRKYPM-SNVBAGLBSA-N -1 1 383.420 -0.494 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCOC1CCOCC1 ZINC001575141443 952145219 /nfs/dbraw/zinc/14/52/19/952145219.db2.gz HKBOCAYBVSVAKT-GFCCVEGCSA-N -1 1 390.448 -0.077 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCOC1CCOCC1 ZINC001575141447 952145348 /nfs/dbraw/zinc/14/53/48/952145348.db2.gz HKBOCAYBVSVAKT-LBPRGKRZSA-N -1 1 390.448 -0.077 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575141451 952144613 /nfs/dbraw/zinc/14/46/13/952144613.db2.gz HKEXUCHDFREQJR-INIZCTEOSA-N -1 1 383.420 -0.543 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575141464 952145406 /nfs/dbraw/zinc/14/54/06/952145406.db2.gz HKEXUCHDFREQJR-MRXNPFEDSA-N -1 1 383.420 -0.543 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575142108 952147036 /nfs/dbraw/zinc/14/70/36/952147036.db2.gz IXDBYHLJBYAYFF-GFCCVEGCSA-N -1 1 387.448 -0.260 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575142111 952146972 /nfs/dbraw/zinc/14/69/72/952146972.db2.gz IXDBYHLJBYAYFF-LBPRGKRZSA-N -1 1 387.448 -0.260 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575142149 952146233 /nfs/dbraw/zinc/14/62/33/952146233.db2.gz JGENKMBGDPENQZ-GFCCVEGCSA-N -1 1 389.464 -0.552 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575142150 952147176 /nfs/dbraw/zinc/14/71/76/952147176.db2.gz JGENKMBGDPENQZ-LBPRGKRZSA-N -1 1 389.464 -0.552 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575142172 952146518 /nfs/dbraw/zinc/14/65/18/952146518.db2.gz JSIQZGBDZUROOG-KRWDZBQOSA-N -1 1 387.448 -0.892 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575142174 952146985 /nfs/dbraw/zinc/14/69/85/952146985.db2.gz JSIQZGBDZUROOG-QGZVFWFLSA-N -1 1 387.448 -0.892 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575142242 952148569 /nfs/dbraw/zinc/14/85/69/952148569.db2.gz KRGFJTHOQUHJDZ-SECBINFHSA-N -1 1 376.812 -0.113 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575142244 952148457 /nfs/dbraw/zinc/14/84/57/952148457.db2.gz KRGFJTHOQUHJDZ-VIFPVBQESA-N -1 1 376.812 -0.113 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575142744 952147870 /nfs/dbraw/zinc/14/78/70/952147870.db2.gz LHKQXYPHWLYABJ-KRWDZBQOSA-N -1 1 388.432 -0.072 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575142749 952148473 /nfs/dbraw/zinc/14/84/73/952148473.db2.gz LHKQXYPHWLYABJ-QGZVFWFLSA-N -1 1 388.432 -0.072 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575142751 952148413 /nfs/dbraw/zinc/14/84/13/952148413.db2.gz LHZPTMLMOBVOJR-KRWDZBQOSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575142753 952147502 /nfs/dbraw/zinc/14/75/02/952147502.db2.gz LHZPTMLMOBVOJR-QGZVFWFLSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575143129 952149495 /nfs/dbraw/zinc/14/94/95/952149495.db2.gz NSZMTRGIVKPEHD-INIZCTEOSA-N -1 1 382.388 -0.415 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575143130 952149610 /nfs/dbraw/zinc/14/96/10/952149610.db2.gz NSZMTRGIVKPEHD-MRXNPFEDSA-N -1 1 382.388 -0.415 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575143145 952149145 /nfs/dbraw/zinc/14/91/45/952149145.db2.gz OAZLSNCTWYFKGP-INIZCTEOSA-N -1 1 382.388 -0.415 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575143147 952149255 /nfs/dbraw/zinc/14/92/55/952149255.db2.gz OAZLSNCTWYFKGP-MRXNPFEDSA-N -1 1 382.388 -0.415 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575143201 952151787 /nfs/dbraw/zinc/15/17/87/952151787.db2.gz OLLBHIGSLIVSAB-INIZCTEOSA-N -1 1 382.388 -0.415 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575143203 952151492 /nfs/dbraw/zinc/15/14/92/952151492.db2.gz OLLBHIGSLIVSAB-MRXNPFEDSA-N -1 1 382.388 -0.415 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575143340 952151677 /nfs/dbraw/zinc/15/16/77/952151677.db2.gz OQQMSDNLJHVVBS-NEPJUHHUSA-N -1 1 376.421 -0.467 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575143341 952150992 /nfs/dbraw/zinc/15/09/92/952150992.db2.gz OQQMSDNLJHVVBS-NWDGAFQWSA-N -1 1 376.421 -0.467 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575143342 952151528 /nfs/dbraw/zinc/15/15/28/952151528.db2.gz OQQMSDNLJHVVBS-RYUDHWBXSA-N -1 1 376.421 -0.467 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575143343 952151477 /nfs/dbraw/zinc/15/14/77/952151477.db2.gz OQQMSDNLJHVVBS-VXGBXAGGSA-N -1 1 376.421 -0.467 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1cccnc1 ZINC001575143360 952151255 /nfs/dbraw/zinc/15/12/55/952151255.db2.gz OWBJJHXEPHZCJH-GFCCVEGCSA-N -1 1 383.416 -0.051 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1cccnc1 ZINC001575143361 952151404 /nfs/dbraw/zinc/15/14/04/952151404.db2.gz OWBJJHXEPHZCJH-LBPRGKRZSA-N -1 1 383.416 -0.051 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575143454 952152713 /nfs/dbraw/zinc/15/27/13/952152713.db2.gz PQOUHIVNERQYBD-KRWDZBQOSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575143457 952153057 /nfs/dbraw/zinc/15/30/57/952153057.db2.gz PQOUHIVNERQYBD-QGZVFWFLSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575143499 952152870 /nfs/dbraw/zinc/15/28/70/952152870.db2.gz AUVXTLLGDKBLRJ-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575143501 952152694 /nfs/dbraw/zinc/15/26/94/952152694.db2.gz AUVXTLLGDKBLRJ-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575143642 952156127 /nfs/dbraw/zinc/15/61/27/952156127.db2.gz QGGBTZASEGSLPC-DIFFPNOSSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575143643 952156114 /nfs/dbraw/zinc/15/61/14/952156114.db2.gz QGGBTZASEGSLPC-PIGZYNQJSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575143661 952156200 /nfs/dbraw/zinc/15/62/00/952156200.db2.gz BXPWUYYADAUMMV-SECBINFHSA-N -1 1 385.388 -0.728 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575143663 952156743 /nfs/dbraw/zinc/15/67/43/952156743.db2.gz BXPWUYYADAUMMV-VIFPVBQESA-N -1 1 385.388 -0.728 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575143664 952155909 /nfs/dbraw/zinc/15/59/09/952155909.db2.gz QTKKMXIIBSOMJZ-NEPJUHHUSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575143666 952156086 /nfs/dbraw/zinc/15/60/86/952156086.db2.gz QTKKMXIIBSOMJZ-NWDGAFQWSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575143669 952156817 /nfs/dbraw/zinc/15/68/17/952156817.db2.gz QTKKMXIIBSOMJZ-RYUDHWBXSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575143672 952155880 /nfs/dbraw/zinc/15/58/80/952155880.db2.gz QTKKMXIIBSOMJZ-VXGBXAGGSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575143724 952156688 /nfs/dbraw/zinc/15/66/88/952156688.db2.gz RCWRXYMTWMXTIL-JTQLQIEISA-N -1 1 375.437 -0.500 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575143727 952156670 /nfs/dbraw/zinc/15/66/70/952156670.db2.gz RCWRXYMTWMXTIL-SNVBAGLBSA-N -1 1 375.437 -0.500 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575143817 952157955 /nfs/dbraw/zinc/15/79/55/952157955.db2.gz CVWRTAXZIVYSTF-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575143820 952157738 /nfs/dbraw/zinc/15/77/38/952157738.db2.gz CVWRTAXZIVYSTF-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575143936 952159476 /nfs/dbraw/zinc/15/94/76/952159476.db2.gz SKUDESXIMROXCU-SECBINFHSA-N -1 1 382.450 -0.839 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575143937 952159558 /nfs/dbraw/zinc/15/95/58/952159558.db2.gz SKUDESXIMROXCU-VIFPVBQESA-N -1 1 382.450 -0.839 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575144037 952160934 /nfs/dbraw/zinc/16/09/34/952160934.db2.gz TWZXSCRNZHNDAZ-INIZCTEOSA-N -1 1 383.420 -0.543 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575144040 952161797 /nfs/dbraw/zinc/16/17/97/952161797.db2.gz TWZXSCRNZHNDAZ-MRXNPFEDSA-N -1 1 383.420 -0.543 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575144112 952163090 /nfs/dbraw/zinc/16/30/90/952163090.db2.gz GMNCDMJGTFWJFU-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575144115 952163218 /nfs/dbraw/zinc/16/32/18/952163218.db2.gz GMNCDMJGTFWJFU-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575144140 952162735 /nfs/dbraw/zinc/16/27/35/952162735.db2.gz GOXVRMOXOHBDBD-JTQLQIEISA-N -1 1 383.420 -0.032 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575144144 952163306 /nfs/dbraw/zinc/16/33/06/952163306.db2.gz GOXVRMOXOHBDBD-SNVBAGLBSA-N -1 1 383.420 -0.032 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575144177 952162845 /nfs/dbraw/zinc/16/28/45/952162845.db2.gz UQKLBBKUFOPEBG-GHMZBOCLSA-N -1 1 388.436 -0.729 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575144180 952162822 /nfs/dbraw/zinc/16/28/22/952162822.db2.gz UQKLBBKUFOPEBG-MNOVXSKESA-N -1 1 388.436 -0.729 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575144183 952163108 /nfs/dbraw/zinc/16/31/08/952163108.db2.gz UQKLBBKUFOPEBG-QWRGUYRKSA-N -1 1 388.436 -0.729 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575144187 952162640 /nfs/dbraw/zinc/16/26/40/952162640.db2.gz UQKLBBKUFOPEBG-WDEREUQCSA-N -1 1 388.436 -0.729 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575144315 952163902 /nfs/dbraw/zinc/16/39/02/952163902.db2.gz HTLDPPWGJWEOBF-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575144318 952164090 /nfs/dbraw/zinc/16/40/90/952164090.db2.gz HTLDPPWGJWEOBF-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575144328 952164517 /nfs/dbraw/zinc/16/45/17/952164517.db2.gz UZEFQBMHMVQDKV-INIZCTEOSA-N -1 1 382.388 -0.828 20 0 GBADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575144332 952164502 /nfs/dbraw/zinc/16/45/02/952164502.db2.gz UZEFQBMHMVQDKV-MRXNPFEDSA-N -1 1 382.388 -0.828 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575144459 952166188 /nfs/dbraw/zinc/16/61/88/952166188.db2.gz VVNQHTHUKRRYDZ-GXSJLCMTSA-N -1 1 390.452 -0.580 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575144463 952168174 /nfs/dbraw/zinc/16/81/74/952168174.db2.gz VVNQHTHUKRRYDZ-KOLCDFICSA-N -1 1 390.452 -0.580 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575144466 952168122 /nfs/dbraw/zinc/16/81/22/952168122.db2.gz VVNQHTHUKRRYDZ-MWLCHTKSSA-N -1 1 390.452 -0.580 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575144468 952168326 /nfs/dbraw/zinc/16/83/26/952168326.db2.gz VVNQHTHUKRRYDZ-ONGXEEELSA-N -1 1 390.452 -0.580 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575144522 952167578 /nfs/dbraw/zinc/16/75/78/952167578.db2.gz WIDHUBKERGHCPL-OWTLIXCDSA-N -1 1 388.432 -0.611 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575144523 952167491 /nfs/dbraw/zinc/16/74/91/952167491.db2.gz WIDHUBKERGHCPL-ZJQBRPOHSA-N -1 1 388.432 -0.611 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575144594 952167854 /nfs/dbraw/zinc/16/78/54/952167854.db2.gz WPHTUTWCIBXQDJ-NEPJUHHUSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575144597 952168081 /nfs/dbraw/zinc/16/80/81/952168081.db2.gz WPHTUTWCIBXQDJ-NWDGAFQWSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575144599 952167920 /nfs/dbraw/zinc/16/79/20/952167920.db2.gz WPHTUTWCIBXQDJ-RYUDHWBXSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575144601 952167429 /nfs/dbraw/zinc/16/74/29/952167429.db2.gz WPHTUTWCIBXQDJ-VXGBXAGGSA-N -1 1 382.432 -0.204 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575144615 952168856 /nfs/dbraw/zinc/16/88/56/952168856.db2.gz WSFJYDMMUNVNGB-NXEZZACHSA-N -1 1 383.420 -0.424 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575144620 952169241 /nfs/dbraw/zinc/16/92/41/952169241.db2.gz WSFJYDMMUNVNGB-UWVGGRQHSA-N -1 1 383.420 -0.424 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575144622 952169007 /nfs/dbraw/zinc/16/90/07/952169007.db2.gz WSFJYDMMUNVNGB-VHSXEESVSA-N -1 1 383.420 -0.424 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575144624 952168955 /nfs/dbraw/zinc/16/89/55/952168955.db2.gz WSFJYDMMUNVNGB-ZJUUUORDSA-N -1 1 383.420 -0.424 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575144633 952169085 /nfs/dbraw/zinc/16/90/85/952169085.db2.gz JRGQQVLAMHNDPV-JTQLQIEISA-N -1 1 385.436 -0.002 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575144635 952169599 /nfs/dbraw/zinc/16/95/99/952169599.db2.gz JRGQQVLAMHNDPV-SNVBAGLBSA-N -1 1 385.436 -0.002 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575144637 952168784 /nfs/dbraw/zinc/16/87/84/952168784.db2.gz JTOXXUVUXVBPAQ-MRVPVSSYSA-N -1 1 387.429 -0.188 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575144640 952168937 /nfs/dbraw/zinc/16/89/37/952168937.db2.gz JTOXXUVUXVBPAQ-QMMMGPOBSA-N -1 1 387.429 -0.188 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1ccncc1 ZINC001575144641 952169319 /nfs/dbraw/zinc/16/93/19/952169319.db2.gz WWHNACJARQGJPI-GFCCVEGCSA-N -1 1 383.416 -0.051 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1ccncc1 ZINC001575144643 952169787 /nfs/dbraw/zinc/16/97/87/952169787.db2.gz WWHNACJARQGJPI-LBPRGKRZSA-N -1 1 383.416 -0.051 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575144674 952168986 /nfs/dbraw/zinc/16/89/86/952168986.db2.gz KIGYAFZRTKJXIS-SECBINFHSA-N -1 1 386.424 -0.607 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575144676 952168830 /nfs/dbraw/zinc/16/88/30/952168830.db2.gz KIGYAFZRTKJXIS-VIFPVBQESA-N -1 1 386.424 -0.607 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575144695 952171155 /nfs/dbraw/zinc/17/11/55/952171155.db2.gz XLSMUWRCGFHIJX-GHMZBOCLSA-N -1 1 388.436 -0.872 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575144697 952170987 /nfs/dbraw/zinc/17/09/87/952170987.db2.gz XLSMUWRCGFHIJX-MNOVXSKESA-N -1 1 388.436 -0.872 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575144699 952171227 /nfs/dbraw/zinc/17/12/27/952171227.db2.gz XLSMUWRCGFHIJX-QWRGUYRKSA-N -1 1 388.436 -0.872 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575144701 952170393 /nfs/dbraw/zinc/17/03/93/952170393.db2.gz XLSMUWRCGFHIJX-WDEREUQCSA-N -1 1 388.436 -0.872 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575144744 952170192 /nfs/dbraw/zinc/17/01/92/952170192.db2.gz KYFAXIVBXIOLED-SECBINFHSA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575144746 952170754 /nfs/dbraw/zinc/17/07/54/952170754.db2.gz KYFAXIVBXIOLED-VIFPVBQESA-N -1 1 382.388 -0.855 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCn1ccccc1=O ZINC001575144845 952172038 /nfs/dbraw/zinc/17/20/38/952172038.db2.gz YFKFVZXPDXXDKZ-GFCCVEGCSA-N -1 1 383.416 -0.411 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCn1ccccc1=O ZINC001575144847 952172493 /nfs/dbraw/zinc/17/24/93/952172493.db2.gz YFKFVZXPDXXDKZ-LBPRGKRZSA-N -1 1 383.416 -0.411 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575144963 952176107 /nfs/dbraw/zinc/17/61/07/952176107.db2.gz ZSFVEADKFYXTEU-GHMZBOCLSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575144964 952175763 /nfs/dbraw/zinc/17/57/63/952175763.db2.gz ZSFVEADKFYXTEU-MNOVXSKESA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575144965 952175493 /nfs/dbraw/zinc/17/54/93/952175493.db2.gz ZSFVEADKFYXTEU-QWRGUYRKSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575144966 952176155 /nfs/dbraw/zinc/17/61/55/952176155.db2.gz ZSFVEADKFYXTEU-WDEREUQCSA-N -1 1 382.432 -0.134 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1nccn1C ZINC001575144973 952175674 /nfs/dbraw/zinc/17/56/74/952175674.db2.gz ZUGUKACNTIAEHD-LLVKDONJSA-N -1 1 386.420 -0.712 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1nccn1C ZINC001575144974 952175584 /nfs/dbraw/zinc/17/55/84/952175584.db2.gz ZUGUKACNTIAEHD-NSHDSACASA-N -1 1 386.420 -0.712 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001575145043 952176718 /nfs/dbraw/zinc/17/67/18/952176718.db2.gz OQQBNNZMINWUMQ-MRVPVSSYSA-N -1 1 380.376 -0.683 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001575145044 952177236 /nfs/dbraw/zinc/17/72/36/952177236.db2.gz OQQBNNZMINWUMQ-QMMMGPOBSA-N -1 1 380.376 -0.683 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575145045 952176734 /nfs/dbraw/zinc/17/67/34/952176734.db2.gz ORQXNJXRJPFBOI-JTQLQIEISA-N -1 1 382.432 -0.127 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575145046 952176631 /nfs/dbraw/zinc/17/66/31/952176631.db2.gz ORQXNJXRJPFBOI-SNVBAGLBSA-N -1 1 382.432 -0.127 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575145141 952177975 /nfs/dbraw/zinc/17/79/75/952177975.db2.gz RHAPAMWAVRYTPT-JTQLQIEISA-N -1 1 383.420 -0.493 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575145142 952178304 /nfs/dbraw/zinc/17/83/04/952178304.db2.gz RHAPAMWAVRYTPT-SNVBAGLBSA-N -1 1 383.420 -0.493 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575145151 952178823 /nfs/dbraw/zinc/17/88/23/952178823.db2.gz RKEJWEPFOSOMDK-JTQLQIEISA-N -1 1 384.404 -0.370 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575145152 952178424 /nfs/dbraw/zinc/17/84/24/952178424.db2.gz RKEJWEPFOSOMDK-SNVBAGLBSA-N -1 1 384.404 -0.370 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575145257 952181625 /nfs/dbraw/zinc/18/16/25/952181625.db2.gz UMWCTWJNFVXVIE-JTQLQIEISA-N -1 1 381.400 -0.250 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575145258 952181192 /nfs/dbraw/zinc/18/11/92/952181192.db2.gz UMWCTWJNFVXVIE-SNVBAGLBSA-N -1 1 381.400 -0.250 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575145285 952181447 /nfs/dbraw/zinc/18/14/47/952181447.db2.gz VGIBYPDYHKHYKE-JTQLQIEISA-N -1 1 384.404 -0.622 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575145286 952181307 /nfs/dbraw/zinc/18/13/07/952181307.db2.gz VGIBYPDYHKHYKE-SNVBAGLBSA-N -1 1 384.404 -0.622 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2nnnn2c1 ZINC001575145351 952183732 /nfs/dbraw/zinc/18/37/32/952183732.db2.gz WAGLDQGJCOTDBO-SECBINFHSA-N -1 1 380.376 -0.911 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2nnnn2c1 ZINC001575145352 952182821 /nfs/dbraw/zinc/18/28/21/952182821.db2.gz WAGLDQGJCOTDBO-VIFPVBQESA-N -1 1 380.376 -0.911 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575145487 952184265 /nfs/dbraw/zinc/18/42/65/952184265.db2.gz YOPXTUXCOFQPMN-JTQLQIEISA-N -1 1 386.420 -0.299 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575145488 952184105 /nfs/dbraw/zinc/18/41/05/952184105.db2.gz YOPXTUXCOFQPMN-SNVBAGLBSA-N -1 1 386.420 -0.299 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575145489 952184941 /nfs/dbraw/zinc/18/49/41/952184941.db2.gz YPRAVAXAYDYTSJ-JTQLQIEISA-N -1 1 385.436 -0.002 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575145490 952186108 /nfs/dbraw/zinc/18/61/08/952186108.db2.gz YPRAVAXAYDYTSJ-SNVBAGLBSA-N -1 1 385.436 -0.002 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575145543 952186091 /nfs/dbraw/zinc/18/60/91/952186091.db2.gz ZQOKTYUTWXHIDA-SECBINFHSA-N -1 1 385.388 -0.288 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575145544 952186405 /nfs/dbraw/zinc/18/64/05/952186405.db2.gz ZQOKTYUTWXHIDA-VIFPVBQESA-N -1 1 385.388 -0.288 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575145561 952186479 /nfs/dbraw/zinc/18/64/79/952186479.db2.gz ABDFUACOCWEBKB-HNNXBMFYSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575145561 952186474 /nfs/dbraw/zinc/18/64/74/952186474.db2.gz ABDFUACOCWEBKB-HNNXBMFYSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575145562 952186234 /nfs/dbraw/zinc/18/62/34/952186234.db2.gz ABDFUACOCWEBKB-OAHLLOKOSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575145562 952186229 /nfs/dbraw/zinc/18/62/29/952186229.db2.gz ABDFUACOCWEBKB-OAHLLOKOSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575145761 952188726 /nfs/dbraw/zinc/18/87/26/952188726.db2.gz CJBADQKJZRBOLZ-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575145761 952188721 /nfs/dbraw/zinc/18/87/21/952188721.db2.gz CJBADQKJZRBOLZ-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575145764 952188409 /nfs/dbraw/zinc/18/84/09/952188409.db2.gz CJBADQKJZRBOLZ-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575145764 952188404 /nfs/dbraw/zinc/18/84/04/952188404.db2.gz CJBADQKJZRBOLZ-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575145767 952188498 /nfs/dbraw/zinc/18/84/98/952188498.db2.gz CJBADQKJZRBOLZ-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575145767 952188492 /nfs/dbraw/zinc/18/84/92/952188492.db2.gz CJBADQKJZRBOLZ-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575145770 952188624 /nfs/dbraw/zinc/18/86/24/952188624.db2.gz CJBADQKJZRBOLZ-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575145770 952188621 /nfs/dbraw/zinc/18/86/21/952188621.db2.gz CJBADQKJZRBOLZ-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575148269 952203772 /nfs/dbraw/zinc/20/37/72/952203772.db2.gz ZGDSKFKCAJDAMR-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575148269 952203768 /nfs/dbraw/zinc/20/37/68/952203768.db2.gz ZGDSKFKCAJDAMR-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575148271 952203079 /nfs/dbraw/zinc/20/30/79/952203079.db2.gz ZGDSKFKCAJDAMR-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575148271 952203076 /nfs/dbraw/zinc/20/30/76/952203076.db2.gz ZGDSKFKCAJDAMR-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575148274 952203794 /nfs/dbraw/zinc/20/37/94/952203794.db2.gz ZGDSKFKCAJDAMR-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575148274 952203791 /nfs/dbraw/zinc/20/37/91/952203791.db2.gz ZGDSKFKCAJDAMR-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575148277 952203516 /nfs/dbraw/zinc/20/35/16/952203516.db2.gz ZGDSKFKCAJDAMR-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575148277 952203508 /nfs/dbraw/zinc/20/35/08/952203508.db2.gz ZGDSKFKCAJDAMR-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575152922 952203756 /nfs/dbraw/zinc/20/37/56/952203756.db2.gz AIMHJXJECIYNJZ-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575152922 952203752 /nfs/dbraw/zinc/20/37/52/952203752.db2.gz AIMHJXJECIYNJZ-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575152924 952203538 /nfs/dbraw/zinc/20/35/38/952203538.db2.gz AIMHJXJECIYNJZ-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575152924 952203534 /nfs/dbraw/zinc/20/35/34/952203534.db2.gz AIMHJXJECIYNJZ-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575153134 952207288 /nfs/dbraw/zinc/20/72/88/952207288.db2.gz DBGRZFWCINSHMM-KRWDZBQOSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575153134 952207283 /nfs/dbraw/zinc/20/72/83/952207283.db2.gz DBGRZFWCINSHMM-KRWDZBQOSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575153136 952206244 /nfs/dbraw/zinc/20/62/44/952206244.db2.gz DBGRZFWCINSHMM-QGZVFWFLSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575153136 952206240 /nfs/dbraw/zinc/20/62/40/952206240.db2.gz DBGRZFWCINSHMM-QGZVFWFLSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575153358 952208755 /nfs/dbraw/zinc/20/87/55/952208755.db2.gz GRVPRIVDRZUWMW-INIZCTEOSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575153358 952208749 /nfs/dbraw/zinc/20/87/49/952208749.db2.gz GRVPRIVDRZUWMW-INIZCTEOSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575153360 952208594 /nfs/dbraw/zinc/20/85/94/952208594.db2.gz GRVPRIVDRZUWMW-MRXNPFEDSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575153360 952208589 /nfs/dbraw/zinc/20/85/89/952208589.db2.gz GRVPRIVDRZUWMW-MRXNPFEDSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575153410 952209994 /nfs/dbraw/zinc/20/99/94/952209994.db2.gz HDGQYABTBZZOQU-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575153410 952209993 /nfs/dbraw/zinc/20/99/93/952209993.db2.gz HDGQYABTBZZOQU-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575153411 952209733 /nfs/dbraw/zinc/20/97/33/952209733.db2.gz HDGQYABTBZZOQU-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575153411 952209727 /nfs/dbraw/zinc/20/97/27/952209727.db2.gz HDGQYABTBZZOQU-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575153413 952209587 /nfs/dbraw/zinc/20/95/87/952209587.db2.gz HDGQYABTBZZOQU-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575153413 952209583 /nfs/dbraw/zinc/20/95/83/952209583.db2.gz HDGQYABTBZZOQU-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575153415 952210178 /nfs/dbraw/zinc/21/01/78/952210178.db2.gz HDGQYABTBZZOQU-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575153415 952210177 /nfs/dbraw/zinc/21/01/77/952210177.db2.gz HDGQYABTBZZOQU-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1cnccc1=O ZINC001575153425 952210679 /nfs/dbraw/zinc/21/06/79/952210679.db2.gz HETFQWBJAZRLMC-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1cnccc1=O ZINC001575153425 952210673 /nfs/dbraw/zinc/21/06/73/952210673.db2.gz HETFQWBJAZRLMC-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1cnccc1=O ZINC001575153427 952210325 /nfs/dbraw/zinc/21/03/25/952210325.db2.gz HETFQWBJAZRLMC-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1cnccc1=O ZINC001575153427 952210319 /nfs/dbraw/zinc/21/03/19/952210319.db2.gz HETFQWBJAZRLMC-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575153497 952210102 /nfs/dbraw/zinc/21/01/02/952210102.db2.gz HPDSRECIYZFVSP-AWEZNQCLSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575153497 952210098 /nfs/dbraw/zinc/21/00/98/952210098.db2.gz HPDSRECIYZFVSP-AWEZNQCLSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575153498 952209944 /nfs/dbraw/zinc/20/99/44/952209944.db2.gz HPDSRECIYZFVSP-CQSZACIVSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575153498 952209938 /nfs/dbraw/zinc/20/99/38/952209938.db2.gz HPDSRECIYZFVSP-CQSZACIVSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575153750 952213169 /nfs/dbraw/zinc/21/31/69/952213169.db2.gz KMIFUXXAFCKMHH-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575153750 952213158 /nfs/dbraw/zinc/21/31/58/952213158.db2.gz KMIFUXXAFCKMHH-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575153753 952213412 /nfs/dbraw/zinc/21/34/12/952213412.db2.gz KMIFUXXAFCKMHH-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575153753 952213409 /nfs/dbraw/zinc/21/34/09/952213409.db2.gz KMIFUXXAFCKMHH-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575153767 952212953 /nfs/dbraw/zinc/21/29/53/952212953.db2.gz KSYCWCKNSLVJDE-CMPLNLGQSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575153767 952212945 /nfs/dbraw/zinc/21/29/45/952212945.db2.gz KSYCWCKNSLVJDE-CMPLNLGQSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575153769 952213630 /nfs/dbraw/zinc/21/36/30/952213630.db2.gz KSYCWCKNSLVJDE-JQWIXIFHSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575153769 952213625 /nfs/dbraw/zinc/21/36/25/952213625.db2.gz KSYCWCKNSLVJDE-JQWIXIFHSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575153771 952213592 /nfs/dbraw/zinc/21/35/92/952213592.db2.gz KSYCWCKNSLVJDE-PWSUYJOCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575153771 952213587 /nfs/dbraw/zinc/21/35/87/952213587.db2.gz KSYCWCKNSLVJDE-PWSUYJOCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575153773 952212870 /nfs/dbraw/zinc/21/28/70/952212870.db2.gz KSYCWCKNSLVJDE-ZYHUDNBSSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575153773 952212862 /nfs/dbraw/zinc/21/28/62/952212862.db2.gz KSYCWCKNSLVJDE-ZYHUDNBSSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575153904 952213603 /nfs/dbraw/zinc/21/36/03/952213603.db2.gz LYBCLJMAQLWYJW-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575153904 952213597 /nfs/dbraw/zinc/21/35/97/952213597.db2.gz LYBCLJMAQLWYJW-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575153906 952213805 /nfs/dbraw/zinc/21/38/05/952213805.db2.gz LYBCLJMAQLWYJW-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575153906 952213799 /nfs/dbraw/zinc/21/37/99/952213799.db2.gz LYBCLJMAQLWYJW-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575153908 952213226 /nfs/dbraw/zinc/21/32/26/952213226.db2.gz LZEICHCTUFLLLE-HNNXBMFYSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575153908 952213220 /nfs/dbraw/zinc/21/32/20/952213220.db2.gz LZEICHCTUFLLLE-HNNXBMFYSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575153910 952213432 /nfs/dbraw/zinc/21/34/32/952213432.db2.gz LZEICHCTUFLLLE-OAHLLOKOSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575153910 952213430 /nfs/dbraw/zinc/21/34/30/952213430.db2.gz LZEICHCTUFLLLE-OAHLLOKOSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575154016 952216061 /nfs/dbraw/zinc/21/60/61/952216061.db2.gz NRTMENBXGSQNIK-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575154016 952216056 /nfs/dbraw/zinc/21/60/56/952216056.db2.gz NRTMENBXGSQNIK-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575154017 952216082 /nfs/dbraw/zinc/21/60/82/952216082.db2.gz NRTMENBXGSQNIK-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575154017 952216075 /nfs/dbraw/zinc/21/60/75/952216075.db2.gz NRTMENBXGSQNIK-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575154139 952216480 /nfs/dbraw/zinc/21/64/80/952216480.db2.gz OOPVHXMFPMNZIB-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575154139 952216474 /nfs/dbraw/zinc/21/64/74/952216474.db2.gz OOPVHXMFPMNZIB-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575154140 952216882 /nfs/dbraw/zinc/21/68/82/952216882.db2.gz OOPVHXMFPMNZIB-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575154140 952216879 /nfs/dbraw/zinc/21/68/79/952216879.db2.gz OOPVHXMFPMNZIB-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1ccnn1C ZINC001575154209 952217765 /nfs/dbraw/zinc/21/77/65/952217765.db2.gz QCUCTILIXUSXBB-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1ccnn1C ZINC001575154209 952217762 /nfs/dbraw/zinc/21/77/62/952217762.db2.gz QCUCTILIXUSXBB-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1ccnn1C ZINC001575154210 952217682 /nfs/dbraw/zinc/21/76/82/952217682.db2.gz QCUCTILIXUSXBB-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1ccnn1C ZINC001575154210 952217677 /nfs/dbraw/zinc/21/76/77/952217677.db2.gz QCUCTILIXUSXBB-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575154405 952221687 /nfs/dbraw/zinc/22/16/87/952221687.db2.gz CFBCNJGQRCIIDD-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575154405 952221677 /nfs/dbraw/zinc/22/16/77/952221677.db2.gz CFBCNJGQRCIIDD-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575154406 952222173 /nfs/dbraw/zinc/22/21/73/952222173.db2.gz CFBCNJGQRCIIDD-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575154406 952222165 /nfs/dbraw/zinc/22/21/65/952222165.db2.gz CFBCNJGQRCIIDD-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575154407 952221120 /nfs/dbraw/zinc/22/11/20/952221120.db2.gz CFBCNJGQRCIIDD-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575154407 952221117 /nfs/dbraw/zinc/22/11/17/952221117.db2.gz CFBCNJGQRCIIDD-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575154408 952221661 /nfs/dbraw/zinc/22/16/61/952221661.db2.gz CFBCNJGQRCIIDD-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575154408 952221653 /nfs/dbraw/zinc/22/16/53/952221653.db2.gz CFBCNJGQRCIIDD-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575154475 952222971 /nfs/dbraw/zinc/22/29/71/952222971.db2.gz DYRUAYRCENCQOG-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575154475 952222964 /nfs/dbraw/zinc/22/29/64/952222964.db2.gz DYRUAYRCENCQOG-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575154477 952223861 /nfs/dbraw/zinc/22/38/61/952223861.db2.gz DYRUAYRCENCQOG-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575154477 952223853 /nfs/dbraw/zinc/22/38/53/952223853.db2.gz DYRUAYRCENCQOG-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575154521 952225968 /nfs/dbraw/zinc/22/59/68/952225968.db2.gz FKXZCDAERGDVAZ-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575154521 952225959 /nfs/dbraw/zinc/22/59/59/952225959.db2.gz FKXZCDAERGDVAZ-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575154523 952225278 /nfs/dbraw/zinc/22/52/78/952225278.db2.gz FKXZCDAERGDVAZ-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575154523 952225275 /nfs/dbraw/zinc/22/52/75/952225275.db2.gz FKXZCDAERGDVAZ-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575154581 952227862 /nfs/dbraw/zinc/22/78/62/952227862.db2.gz SWFAQPAXHOUZKG-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575154581 952227857 /nfs/dbraw/zinc/22/78/57/952227857.db2.gz SWFAQPAXHOUZKG-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575154582 952227471 /nfs/dbraw/zinc/22/74/71/952227471.db2.gz SWFAQPAXHOUZKG-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575154582 952227463 /nfs/dbraw/zinc/22/74/63/952227463.db2.gz SWFAQPAXHOUZKG-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575154583 952227940 /nfs/dbraw/zinc/22/79/40/952227940.db2.gz SWFAQPAXHOUZKG-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575154583 952227933 /nfs/dbraw/zinc/22/79/33/952227933.db2.gz SWFAQPAXHOUZKG-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575154584 952228481 /nfs/dbraw/zinc/22/84/81/952228481.db2.gz SWFAQPAXHOUZKG-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575154584 952228475 /nfs/dbraw/zinc/22/84/75/952228475.db2.gz SWFAQPAXHOUZKG-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575154627 952227120 /nfs/dbraw/zinc/22/71/20/952227120.db2.gz GGLLLWADXSFVIY-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575154627 952227113 /nfs/dbraw/zinc/22/71/13/952227113.db2.gz GGLLLWADXSFVIY-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575154628 952227299 /nfs/dbraw/zinc/22/72/99/952227299.db2.gz GGLLLWADXSFVIY-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575154628 952227291 /nfs/dbraw/zinc/22/72/91/952227291.db2.gz GGLLLWADXSFVIY-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575154661 952228757 /nfs/dbraw/zinc/22/87/57/952228757.db2.gz HBWJPDOAPPQNGF-BXKDBHETSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575154661 952228752 /nfs/dbraw/zinc/22/87/52/952228752.db2.gz HBWJPDOAPPQNGF-BXKDBHETSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575154662 952229819 /nfs/dbraw/zinc/22/98/19/952229819.db2.gz HBWJPDOAPPQNGF-CABZTGNLSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575154662 952229812 /nfs/dbraw/zinc/22/98/12/952229812.db2.gz HBWJPDOAPPQNGF-CABZTGNLSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575154663 952228870 /nfs/dbraw/zinc/22/88/70/952228870.db2.gz HBWJPDOAPPQNGF-JOYOIKCWSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575154663 952228868 /nfs/dbraw/zinc/22/88/68/952228868.db2.gz HBWJPDOAPPQNGF-JOYOIKCWSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575154664 952228840 /nfs/dbraw/zinc/22/88/40/952228840.db2.gz HBWJPDOAPPQNGF-SKDRFNHKSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575154664 952228833 /nfs/dbraw/zinc/22/88/33/952228833.db2.gz HBWJPDOAPPQNGF-SKDRFNHKSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575154669 952229283 /nfs/dbraw/zinc/22/92/83/952229283.db2.gz HFVBASSGSDNYHM-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575154669 952229276 /nfs/dbraw/zinc/22/92/76/952229276.db2.gz HFVBASSGSDNYHM-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575154670 952229469 /nfs/dbraw/zinc/22/94/69/952229469.db2.gz HFVBASSGSDNYHM-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575154670 952229463 /nfs/dbraw/zinc/22/94/63/952229463.db2.gz HFVBASSGSDNYHM-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575154734 952232054 /nfs/dbraw/zinc/23/20/54/952232054.db2.gz HPBIQDUXPJLSTD-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575154734 952232045 /nfs/dbraw/zinc/23/20/45/952232045.db2.gz HPBIQDUXPJLSTD-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575154736 952231861 /nfs/dbraw/zinc/23/18/61/952231861.db2.gz HPBIQDUXPJLSTD-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575154736 952231858 /nfs/dbraw/zinc/23/18/58/952231858.db2.gz HPBIQDUXPJLSTD-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1nccn1C ZINC001575154810 952231738 /nfs/dbraw/zinc/23/17/38/952231738.db2.gz VRWSZGZLVPXKQO-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1nccn1C ZINC001575154810 952231729 /nfs/dbraw/zinc/23/17/29/952231729.db2.gz VRWSZGZLVPXKQO-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1nccn1C ZINC001575154813 952231982 /nfs/dbraw/zinc/23/19/82/952231982.db2.gz VRWSZGZLVPXKQO-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1nccn1C ZINC001575154813 952231976 /nfs/dbraw/zinc/23/19/76/952231976.db2.gz VRWSZGZLVPXKQO-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575155054 952234784 /nfs/dbraw/zinc/23/47/84/952234784.db2.gz WCRWQJMZXKSBEC-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575155054 952234777 /nfs/dbraw/zinc/23/47/77/952234777.db2.gz WCRWQJMZXKSBEC-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575155057 952234723 /nfs/dbraw/zinc/23/47/23/952234723.db2.gz WCRWQJMZXKSBEC-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575155057 952234717 /nfs/dbraw/zinc/23/47/17/952234717.db2.gz WCRWQJMZXKSBEC-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575155063 952235061 /nfs/dbraw/zinc/23/50/61/952235061.db2.gz WCRWQJMZXKSBEC-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575155063 952235056 /nfs/dbraw/zinc/23/50/56/952235056.db2.gz WCRWQJMZXKSBEC-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575155066 952235357 /nfs/dbraw/zinc/23/53/57/952235357.db2.gz WCRWQJMZXKSBEC-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575155066 952235353 /nfs/dbraw/zinc/23/53/53/952235353.db2.gz WCRWQJMZXKSBEC-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575155129 952234310 /nfs/dbraw/zinc/23/43/10/952234310.db2.gz WNZBENJQJWZHCU-BXKDBHETSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575155129 952234306 /nfs/dbraw/zinc/23/43/06/952234306.db2.gz WNZBENJQJWZHCU-BXKDBHETSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575155133 952234467 /nfs/dbraw/zinc/23/44/67/952234467.db2.gz WNZBENJQJWZHCU-CABZTGNLSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575155133 952234462 /nfs/dbraw/zinc/23/44/62/952234462.db2.gz WNZBENJQJWZHCU-CABZTGNLSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575155137 952234741 /nfs/dbraw/zinc/23/47/41/952234741.db2.gz WNZBENJQJWZHCU-JOYOIKCWSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575155137 952234737 /nfs/dbraw/zinc/23/47/37/952234737.db2.gz WNZBENJQJWZHCU-JOYOIKCWSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575155139 952235110 /nfs/dbraw/zinc/23/51/10/952235110.db2.gz WNZBENJQJWZHCU-SKDRFNHKSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575155139 952235105 /nfs/dbraw/zinc/23/51/05/952235105.db2.gz WNZBENJQJWZHCU-SKDRFNHKSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575155169 952235295 /nfs/dbraw/zinc/23/52/95/952235295.db2.gz WZLNAFKFDSIOEQ-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575155169 952235290 /nfs/dbraw/zinc/23/52/90/952235290.db2.gz WZLNAFKFDSIOEQ-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575155170 952234569 /nfs/dbraw/zinc/23/45/69/952234569.db2.gz WZLNAFKFDSIOEQ-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575155170 952234561 /nfs/dbraw/zinc/23/45/61/952234561.db2.gz WZLNAFKFDSIOEQ-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575155175 952236477 /nfs/dbraw/zinc/23/64/77/952236477.db2.gz XHJYQEUYJJQVCD-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575155175 952236466 /nfs/dbraw/zinc/23/64/66/952236466.db2.gz XHJYQEUYJJQVCD-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575155176 952236784 /nfs/dbraw/zinc/23/67/84/952236784.db2.gz XHJYQEUYJJQVCD-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575155176 952236780 /nfs/dbraw/zinc/23/67/80/952236780.db2.gz XHJYQEUYJJQVCD-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575155177 952236589 /nfs/dbraw/zinc/23/65/89/952236589.db2.gz XHJYQEUYJJQVCD-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575155177 952236584 /nfs/dbraw/zinc/23/65/84/952236584.db2.gz XHJYQEUYJJQVCD-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575155178 952237314 /nfs/dbraw/zinc/23/73/14/952237314.db2.gz XHJYQEUYJJQVCD-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575155178 952237307 /nfs/dbraw/zinc/23/73/07/952237307.db2.gz XHJYQEUYJJQVCD-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575155195 952237132 /nfs/dbraw/zinc/23/71/32/952237132.db2.gz XNDVDTMDPDROJV-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575155195 952237125 /nfs/dbraw/zinc/23/71/25/952237125.db2.gz XNDVDTMDPDROJV-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575155196 952237374 /nfs/dbraw/zinc/23/73/74/952237374.db2.gz XNDVDTMDPDROJV-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575155196 952237369 /nfs/dbraw/zinc/23/73/69/952237369.db2.gz XNDVDTMDPDROJV-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575155301 952237175 /nfs/dbraw/zinc/23/71/75/952237175.db2.gz KSPXVVXHKJBPKH-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575155301 952237168 /nfs/dbraw/zinc/23/71/68/952237168.db2.gz KSPXVVXHKJBPKH-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575155304 952237417 /nfs/dbraw/zinc/23/74/17/952237417.db2.gz KSPXVVXHKJBPKH-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575155304 952237412 /nfs/dbraw/zinc/23/74/12/952237412.db2.gz KSPXVVXHKJBPKH-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575155483 952240912 /nfs/dbraw/zinc/24/09/12/952240912.db2.gz ZJZDXLINCVMXTC-KRWDZBQOSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575155483 952240904 /nfs/dbraw/zinc/24/09/04/952240904.db2.gz ZJZDXLINCVMXTC-KRWDZBQOSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575155484 952240042 /nfs/dbraw/zinc/24/00/42/952240042.db2.gz ZJZDXLINCVMXTC-QGZVFWFLSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575155484 952240036 /nfs/dbraw/zinc/24/00/36/952240036.db2.gz ZJZDXLINCVMXTC-QGZVFWFLSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575155535 952242257 /nfs/dbraw/zinc/24/22/57/952242257.db2.gz MRXGTCIVEBXSHP-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575155535 952242250 /nfs/dbraw/zinc/24/22/50/952242250.db2.gz MRXGTCIVEBXSHP-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575155536 952241504 /nfs/dbraw/zinc/24/15/04/952241504.db2.gz MRXGTCIVEBXSHP-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575155536 952241495 /nfs/dbraw/zinc/24/14/95/952241495.db2.gz MRXGTCIVEBXSHP-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575155537 952242122 /nfs/dbraw/zinc/24/21/22/952242122.db2.gz MRXGTCIVEBXSHP-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575155537 952242116 /nfs/dbraw/zinc/24/21/16/952242116.db2.gz MRXGTCIVEBXSHP-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575155538 952241965 /nfs/dbraw/zinc/24/19/65/952241965.db2.gz MRXGTCIVEBXSHP-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575155538 952241958 /nfs/dbraw/zinc/24/19/58/952241958.db2.gz MRXGTCIVEBXSHP-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001575155782 952243610 /nfs/dbraw/zinc/24/36/10/952243610.db2.gz PEGZVYCCPWEUPH-NXEZZACHSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001575155782 952243606 /nfs/dbraw/zinc/24/36/06/952243606.db2.gz PEGZVYCCPWEUPH-NXEZZACHSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001575155785 952244253 /nfs/dbraw/zinc/24/42/53/952244253.db2.gz PEGZVYCCPWEUPH-UWVGGRQHSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001575155785 952244247 /nfs/dbraw/zinc/24/42/47/952244247.db2.gz PEGZVYCCPWEUPH-UWVGGRQHSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC001575155789 952244231 /nfs/dbraw/zinc/24/42/31/952244231.db2.gz PEGZVYCCPWEUPH-VHSXEESVSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)N1C(=O)CCC1=O ZINC001575155789 952244225 /nfs/dbraw/zinc/24/42/25/952244225.db2.gz PEGZVYCCPWEUPH-VHSXEESVSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001575155792 952243856 /nfs/dbraw/zinc/24/38/56/952243856.db2.gz PEGZVYCCPWEUPH-ZJUUUORDSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001575155792 952243849 /nfs/dbraw/zinc/24/38/49/952243849.db2.gz PEGZVYCCPWEUPH-ZJUUUORDSA-N -1 1 387.404 -0.547 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575155831 952246297 /nfs/dbraw/zinc/24/62/97/952246297.db2.gz PIYMLTPOTZFWIY-HNNXBMFYSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575155831 952246291 /nfs/dbraw/zinc/24/62/91/952246291.db2.gz PIYMLTPOTZFWIY-HNNXBMFYSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575155834 952246280 /nfs/dbraw/zinc/24/62/80/952246280.db2.gz PIYMLTPOTZFWIY-OAHLLOKOSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575155834 952246273 /nfs/dbraw/zinc/24/62/73/952246273.db2.gz PIYMLTPOTZFWIY-OAHLLOKOSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575155837 952245586 /nfs/dbraw/zinc/24/55/86/952245586.db2.gz PJYHEASPSHMIDC-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575155837 952245581 /nfs/dbraw/zinc/24/55/81/952245581.db2.gz PJYHEASPSHMIDC-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575155841 952245844 /nfs/dbraw/zinc/24/58/44/952245844.db2.gz PJYHEASPSHMIDC-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575155841 952245838 /nfs/dbraw/zinc/24/58/38/952245838.db2.gz PJYHEASPSHMIDC-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575155881 952245824 /nfs/dbraw/zinc/24/58/24/952245824.db2.gz AOYQALQMAPNVJL-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575155881 952245816 /nfs/dbraw/zinc/24/58/16/952245816.db2.gz AOYQALQMAPNVJL-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575155884 952245762 /nfs/dbraw/zinc/24/57/62/952245762.db2.gz AOYQALQMAPNVJL-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575155884 952245755 /nfs/dbraw/zinc/24/57/55/952245755.db2.gz AOYQALQMAPNVJL-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575155930 952244893 /nfs/dbraw/zinc/24/48/93/952244893.db2.gz PRUCFAOTBGABFO-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575155930 952244887 /nfs/dbraw/zinc/24/48/87/952244887.db2.gz PRUCFAOTBGABFO-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575155937 952247209 /nfs/dbraw/zinc/24/72/09/952247209.db2.gz PRUCFAOTBGABFO-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575155937 952247206 /nfs/dbraw/zinc/24/72/06/952247206.db2.gz PRUCFAOTBGABFO-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575156148 952248874 /nfs/dbraw/zinc/24/88/74/952248874.db2.gz CTVRAPWERRUFRN-CMPLNLGQSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575156148 952248868 /nfs/dbraw/zinc/24/88/68/952248868.db2.gz CTVRAPWERRUFRN-CMPLNLGQSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575156150 952248090 /nfs/dbraw/zinc/24/80/90/952248090.db2.gz CTVRAPWERRUFRN-JQWIXIFHSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575156150 952248084 /nfs/dbraw/zinc/24/80/84/952248084.db2.gz CTVRAPWERRUFRN-JQWIXIFHSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575156152 952248950 /nfs/dbraw/zinc/24/89/50/952248950.db2.gz CTVRAPWERRUFRN-PWSUYJOCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575156152 952248945 /nfs/dbraw/zinc/24/89/45/952248945.db2.gz CTVRAPWERRUFRN-PWSUYJOCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575156154 952249037 /nfs/dbraw/zinc/24/90/37/952249037.db2.gz CTVRAPWERRUFRN-ZYHUDNBSSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575156154 952249033 /nfs/dbraw/zinc/24/90/33/952249033.db2.gz CTVRAPWERRUFRN-ZYHUDNBSSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCN1C(=O)CCC1=O ZINC001575156156 952249065 /nfs/dbraw/zinc/24/90/65/952249065.db2.gz CURUKLKKBBCDTG-JTQLQIEISA-N -1 1 387.404 -0.545 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCN1C(=O)CCC1=O ZINC001575156156 952249060 /nfs/dbraw/zinc/24/90/60/952249060.db2.gz CURUKLKKBBCDTG-JTQLQIEISA-N -1 1 387.404 -0.545 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCN1C(=O)CCC1=O ZINC001575156157 952248918 /nfs/dbraw/zinc/24/89/18/952248918.db2.gz CURUKLKKBBCDTG-SNVBAGLBSA-N -1 1 387.404 -0.545 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCN1C(=O)CCC1=O ZINC001575156157 952248913 /nfs/dbraw/zinc/24/89/13/952248913.db2.gz CURUKLKKBBCDTG-SNVBAGLBSA-N -1 1 387.404 -0.545 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575156237 952250396 /nfs/dbraw/zinc/25/03/96/952250396.db2.gz RFJIZWFSYAAJDU-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575156237 952250392 /nfs/dbraw/zinc/25/03/92/952250392.db2.gz RFJIZWFSYAAJDU-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575156238 952250367 /nfs/dbraw/zinc/25/03/67/952250367.db2.gz RFJIZWFSYAAJDU-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575156238 952250364 /nfs/dbraw/zinc/25/03/64/952250364.db2.gz RFJIZWFSYAAJDU-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575156239 952249809 /nfs/dbraw/zinc/24/98/09/952249809.db2.gz RFJIZWFSYAAJDU-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575156239 952249805 /nfs/dbraw/zinc/24/98/05/952249805.db2.gz RFJIZWFSYAAJDU-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575156240 952250517 /nfs/dbraw/zinc/25/05/17/952250517.db2.gz RFJIZWFSYAAJDU-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575156240 952250508 /nfs/dbraw/zinc/25/05/08/952250508.db2.gz RFJIZWFSYAAJDU-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575156273 952250410 /nfs/dbraw/zinc/25/04/10/952250410.db2.gz RZEDPTDFMDRZDX-KRWDZBQOSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575156273 952250405 /nfs/dbraw/zinc/25/04/05/952250405.db2.gz RZEDPTDFMDRZDX-KRWDZBQOSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575156274 952250826 /nfs/dbraw/zinc/25/08/26/952250826.db2.gz RZEDPTDFMDRZDX-QGZVFWFLSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575156274 952250820 /nfs/dbraw/zinc/25/08/20/952250820.db2.gz RZEDPTDFMDRZDX-QGZVFWFLSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575156369 952252079 /nfs/dbraw/zinc/25/20/79/952252079.db2.gz DZQVEJQALKKWEN-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575156369 952252070 /nfs/dbraw/zinc/25/20/70/952252070.db2.gz DZQVEJQALKKWEN-JUFZMCDQSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575156371 952251778 /nfs/dbraw/zinc/25/17/78/952251778.db2.gz DZQVEJQALKKWEN-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575156371 952251774 /nfs/dbraw/zinc/25/17/74/952251774.db2.gz DZQVEJQALKKWEN-OXJKWZBOSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575156458 952253480 /nfs/dbraw/zinc/25/34/80/952253480.db2.gz FTFUEIPPTVLQSN-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575156458 952253474 /nfs/dbraw/zinc/25/34/74/952253474.db2.gz FTFUEIPPTVLQSN-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575156460 952253738 /nfs/dbraw/zinc/25/37/38/952253738.db2.gz FTFUEIPPTVLQSN-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575156460 952253733 /nfs/dbraw/zinc/25/37/33/952253733.db2.gz FTFUEIPPTVLQSN-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575156462 952252789 /nfs/dbraw/zinc/25/27/89/952252789.db2.gz FTHHAEDBWIHBND-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575156462 952252783 /nfs/dbraw/zinc/25/27/83/952252783.db2.gz FTHHAEDBWIHBND-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575156464 952253388 /nfs/dbraw/zinc/25/33/88/952253388.db2.gz FTHHAEDBWIHBND-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575156464 952253382 /nfs/dbraw/zinc/25/33/82/952253382.db2.gz FTHHAEDBWIHBND-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575156581 952254702 /nfs/dbraw/zinc/25/47/02/952254702.db2.gz VEXBGALVWZKQJZ-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575156581 952254695 /nfs/dbraw/zinc/25/46/95/952254695.db2.gz VEXBGALVWZKQJZ-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575156582 952254540 /nfs/dbraw/zinc/25/45/40/952254540.db2.gz VEXBGALVWZKQJZ-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575156582 952254532 /nfs/dbraw/zinc/25/45/32/952254532.db2.gz VEXBGALVWZKQJZ-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575156617 952254416 /nfs/dbraw/zinc/25/44/16/952254416.db2.gz GSMVLQTXDFTDDG-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575156617 952254409 /nfs/dbraw/zinc/25/44/09/952254409.db2.gz GSMVLQTXDFTDDG-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575156618 952254752 /nfs/dbraw/zinc/25/47/52/952254752.db2.gz GSMVLQTXDFTDDG-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575156618 952254746 /nfs/dbraw/zinc/25/47/46/952254746.db2.gz GSMVLQTXDFTDDG-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575156619 952255553 /nfs/dbraw/zinc/25/55/53/952255553.db2.gz GSMVLQTXDFTDDG-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575156619 952255545 /nfs/dbraw/zinc/25/55/45/952255545.db2.gz GSMVLQTXDFTDDG-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575156620 952254394 /nfs/dbraw/zinc/25/43/94/952254394.db2.gz GSMVLQTXDFTDDG-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575156620 952254388 /nfs/dbraw/zinc/25/43/88/952254388.db2.gz GSMVLQTXDFTDDG-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575156623 952255408 /nfs/dbraw/zinc/25/54/08/952255408.db2.gz GWWBUKPBHZYVCI-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575156623 952255401 /nfs/dbraw/zinc/25/54/01/952255401.db2.gz GWWBUKPBHZYVCI-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575156624 952254923 /nfs/dbraw/zinc/25/49/23/952254923.db2.gz GWWBUKPBHZYVCI-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575156624 952254919 /nfs/dbraw/zinc/25/49/19/952254919.db2.gz GWWBUKPBHZYVCI-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575156625 952255031 /nfs/dbraw/zinc/25/50/31/952255031.db2.gz GWWBUKPBHZYVCI-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575156625 952255026 /nfs/dbraw/zinc/25/50/26/952255026.db2.gz GWWBUKPBHZYVCI-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575156626 952255382 /nfs/dbraw/zinc/25/53/82/952255382.db2.gz GWWBUKPBHZYVCI-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575156626 952255376 /nfs/dbraw/zinc/25/53/76/952255376.db2.gz GWWBUKPBHZYVCI-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575156823 952257740 /nfs/dbraw/zinc/25/77/40/952257740.db2.gz WDINAPLYDAYMBQ-KRWDZBQOSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575156823 952257728 /nfs/dbraw/zinc/25/77/28/952257728.db2.gz WDINAPLYDAYMBQ-KRWDZBQOSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575156824 952258419 /nfs/dbraw/zinc/25/84/19/952258419.db2.gz WDINAPLYDAYMBQ-QGZVFWFLSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575156824 952258413 /nfs/dbraw/zinc/25/84/13/952258413.db2.gz WDINAPLYDAYMBQ-QGZVFWFLSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575156859 952257878 /nfs/dbraw/zinc/25/78/78/952257878.db2.gz WVBGZANJTDFMHI-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575156859 952257871 /nfs/dbraw/zinc/25/78/71/952257871.db2.gz WVBGZANJTDFMHI-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575156860 952258198 /nfs/dbraw/zinc/25/81/98/952258198.db2.gz WVBGZANJTDFMHI-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575156860 952258194 /nfs/dbraw/zinc/25/81/94/952258194.db2.gz WVBGZANJTDFMHI-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575156869 952258295 /nfs/dbraw/zinc/25/82/95/952258295.db2.gz WZJHRTFYRXMJIJ-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575156869 952258289 /nfs/dbraw/zinc/25/82/89/952258289.db2.gz WZJHRTFYRXMJIJ-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575156870 952258280 /nfs/dbraw/zinc/25/82/80/952258280.db2.gz WZJHRTFYRXMJIJ-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575156870 952258277 /nfs/dbraw/zinc/25/82/77/952258277.db2.gz WZJHRTFYRXMJIJ-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575156927 952260319 /nfs/dbraw/zinc/26/03/19/952260319.db2.gz IQXFXVJQDADQOX-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575156927 952260311 /nfs/dbraw/zinc/26/03/11/952260311.db2.gz IQXFXVJQDADQOX-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575156928 952260107 /nfs/dbraw/zinc/26/01/07/952260107.db2.gz IQXFXVJQDADQOX-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575156928 952260100 /nfs/dbraw/zinc/26/01/00/952260100.db2.gz IQXFXVJQDADQOX-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575156961 952259687 /nfs/dbraw/zinc/25/96/87/952259687.db2.gz JLZQGBRYEFMBRS-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575156961 952259681 /nfs/dbraw/zinc/25/96/81/952259681.db2.gz JLZQGBRYEFMBRS-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575156962 952259347 /nfs/dbraw/zinc/25/93/47/952259347.db2.gz JLZQGBRYEFMBRS-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575156962 952259340 /nfs/dbraw/zinc/25/93/40/952259340.db2.gz JLZQGBRYEFMBRS-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575156989 952261814 /nfs/dbraw/zinc/26/18/14/952261814.db2.gz KHYIYGDLGAGYNU-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575156989 952261808 /nfs/dbraw/zinc/26/18/08/952261808.db2.gz KHYIYGDLGAGYNU-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575156990 952261187 /nfs/dbraw/zinc/26/11/87/952261187.db2.gz KHYIYGDLGAGYNU-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575156990 952261181 /nfs/dbraw/zinc/26/11/81/952261181.db2.gz KHYIYGDLGAGYNU-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575157286 952263253 /nfs/dbraw/zinc/26/32/53/952263253.db2.gz KYSRWWFHYJLEKI-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575157286 952263248 /nfs/dbraw/zinc/26/32/48/952263248.db2.gz KYSRWWFHYJLEKI-GXSJLCMTSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnc2n[nH]nc21 ZINC001575157287 952262791 /nfs/dbraw/zinc/26/27/91/952262791.db2.gz YYPRRCSVTGGVOK-MRVPVSSYSA-N -1 1 380.376 -0.104 20 0 GBADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnc2n[nH]nc21 ZINC001575157287 952262781 /nfs/dbraw/zinc/26/27/81/952262781.db2.gz YYPRRCSVTGGVOK-MRVPVSSYSA-N -1 1 380.376 -0.104 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575157289 952262504 /nfs/dbraw/zinc/26/25/04/952262504.db2.gz KYSRWWFHYJLEKI-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575157289 952262499 /nfs/dbraw/zinc/26/24/99/952262499.db2.gz KYSRWWFHYJLEKI-KOLCDFICSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnc2n[nH]nc21 ZINC001575157291 952262722 /nfs/dbraw/zinc/26/27/22/952262722.db2.gz YYPRRCSVTGGVOK-QMMMGPOBSA-N -1 1 380.376 -0.104 20 0 GBADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnc2n[nH]nc21 ZINC001575157291 952262717 /nfs/dbraw/zinc/26/27/17/952262717.db2.gz YYPRRCSVTGGVOK-QMMMGPOBSA-N -1 1 380.376 -0.104 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575157292 952263146 /nfs/dbraw/zinc/26/31/46/952263146.db2.gz KYSRWWFHYJLEKI-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575157292 952263142 /nfs/dbraw/zinc/26/31/42/952263142.db2.gz KYSRWWFHYJLEKI-MWLCHTKSSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575157294 952263527 /nfs/dbraw/zinc/26/35/27/952263527.db2.gz KYSRWWFHYJLEKI-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575157294 952263520 /nfs/dbraw/zinc/26/35/20/952263520.db2.gz KYSRWWFHYJLEKI-ONGXEEELSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575157297 952263761 /nfs/dbraw/zinc/26/37/61/952263761.db2.gz KZOIAPFKCOXBLM-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575157297 952263753 /nfs/dbraw/zinc/26/37/53/952263753.db2.gz KZOIAPFKCOXBLM-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575157300 952263285 /nfs/dbraw/zinc/26/32/85/952263285.db2.gz KZOIAPFKCOXBLM-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575157300 952263280 /nfs/dbraw/zinc/26/32/80/952263280.db2.gz KZOIAPFKCOXBLM-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575157659 952266063 /nfs/dbraw/zinc/26/60/63/952266063.db2.gz OHECIDXWNWHIEH-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575157659 952266057 /nfs/dbraw/zinc/26/60/57/952266057.db2.gz OHECIDXWNWHIEH-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575157661 952267068 /nfs/dbraw/zinc/26/70/68/952267068.db2.gz OHECIDXWNWHIEH-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575157661 952267063 /nfs/dbraw/zinc/26/70/63/952267063.db2.gz OHECIDXWNWHIEH-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575157711 952266560 /nfs/dbraw/zinc/26/65/60/952266560.db2.gz PEKVRECHXUDDCF-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575157711 952266557 /nfs/dbraw/zinc/26/65/57/952266557.db2.gz PEKVRECHXUDDCF-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575157712 952266884 /nfs/dbraw/zinc/26/68/84/952266884.db2.gz PEKVRECHXUDDCF-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575157712 952266881 /nfs/dbraw/zinc/26/68/81/952266881.db2.gz PEKVRECHXUDDCF-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575157852 952268353 /nfs/dbraw/zinc/26/83/53/952268353.db2.gz PVJQURQAGIVUCU-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575157852 952268347 /nfs/dbraw/zinc/26/83/47/952268347.db2.gz PVJQURQAGIVUCU-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575157855 952268255 /nfs/dbraw/zinc/26/82/55/952268255.db2.gz PVJQURQAGIVUCU-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575157855 952268249 /nfs/dbraw/zinc/26/82/49/952268249.db2.gz PVJQURQAGIVUCU-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575158067 952269608 /nfs/dbraw/zinc/26/96/08/952269608.db2.gz RTEQPKCKZRHCRC-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575158067 952269604 /nfs/dbraw/zinc/26/96/04/952269604.db2.gz RTEQPKCKZRHCRC-JTQLQIEISA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575158068 952269257 /nfs/dbraw/zinc/26/92/57/952269257.db2.gz RTEQPKCKZRHCRC-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575158068 952269250 /nfs/dbraw/zinc/26/92/50/952269250.db2.gz RTEQPKCKZRHCRC-SNVBAGLBSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1ccnn1C ZINC001575158311 952269354 /nfs/dbraw/zinc/26/93/54/952269354.db2.gz SUNCLLGNSGTLNM-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COCc1ccnn1C ZINC001575158311 952269347 /nfs/dbraw/zinc/26/93/47/952269347.db2.gz SUNCLLGNSGTLNM-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1ccnn1C ZINC001575158313 952269107 /nfs/dbraw/zinc/26/91/07/952269107.db2.gz SUNCLLGNSGTLNM-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COCc1ccnn1C ZINC001575158313 952269103 /nfs/dbraw/zinc/26/91/03/952269103.db2.gz SUNCLLGNSGTLNM-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575158434 952271197 /nfs/dbraw/zinc/27/11/97/952271197.db2.gz VGLVNXJCNBCWRX-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575158434 952271191 /nfs/dbraw/zinc/27/11/91/952271191.db2.gz VGLVNXJCNBCWRX-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575158438 952272224 /nfs/dbraw/zinc/27/22/24/952272224.db2.gz VGLVNXJCNBCWRX-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575158438 952272219 /nfs/dbraw/zinc/27/22/19/952272219.db2.gz VGLVNXJCNBCWRX-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1nncn1C ZINC001575159322 952276430 /nfs/dbraw/zinc/27/64/30/952276430.db2.gz ZXSLSHNUCSUESD-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COCc1nncn1C ZINC001575159322 952276422 /nfs/dbraw/zinc/27/64/22/952276422.db2.gz ZXSLSHNUCSUESD-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1nncn1C ZINC001575159329 952276190 /nfs/dbraw/zinc/27/61/90/952276190.db2.gz ZXSLSHNUCSUESD-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COCc1nncn1C ZINC001575159329 952276185 /nfs/dbraw/zinc/27/61/85/952276185.db2.gz ZXSLSHNUCSUESD-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575164207 952288944 /nfs/dbraw/zinc/28/89/44/952288944.db2.gz CAURGKYNHJHYSF-NTSWFWBYSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575164207 952288938 /nfs/dbraw/zinc/28/89/38/952288938.db2.gz CAURGKYNHJHYSF-NTSWFWBYSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575164209 952287631 /nfs/dbraw/zinc/28/76/31/952287631.db2.gz CAURGKYNHJHYSF-PHDIDXHHSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575164209 952287627 /nfs/dbraw/zinc/28/76/27/952287627.db2.gz CAURGKYNHJHYSF-PHDIDXHHSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575164211 952287654 /nfs/dbraw/zinc/28/76/54/952287654.db2.gz CAURGKYNHJHYSF-RITPCOANSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575164211 952287646 /nfs/dbraw/zinc/28/76/46/952287646.db2.gz CAURGKYNHJHYSF-RITPCOANSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575164213 952288390 /nfs/dbraw/zinc/28/83/90/952288390.db2.gz CAURGKYNHJHYSF-WDSKDSINSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575164213 952288383 /nfs/dbraw/zinc/28/83/83/952288383.db2.gz CAURGKYNHJHYSF-WDSKDSINSA-N -1 1 385.841 -0.083 20 0 GBADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cn1ncnn1 ZINC001575164423 952292738 /nfs/dbraw/zinc/29/27/38/952292738.db2.gz DXUWWKPVTHANSC-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cn1ncnn1 ZINC001575164493 952294192 /nfs/dbraw/zinc/29/41/92/952294192.db2.gz DXUWWKPVTHANSC-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1cnnn1 ZINC001575164614 952295656 /nfs/dbraw/zinc/29/56/56/952295656.db2.gz GHVRWNHBHQKIMI-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1cnnn1 ZINC001575164614 952295652 /nfs/dbraw/zinc/29/56/52/952295652.db2.gz GHVRWNHBHQKIMI-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1cnnn1 ZINC001575164615 952295787 /nfs/dbraw/zinc/29/57/87/952295787.db2.gz GHVRWNHBHQKIMI-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1cnnn1 ZINC001575164615 952295782 /nfs/dbraw/zinc/29/57/82/952295782.db2.gz GHVRWNHBHQKIMI-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cn1cnnn1 ZINC001575164892 952300943 /nfs/dbraw/zinc/30/09/43/952300943.db2.gz IQRRHNGGMQTDOJ-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cn1cnnn1 ZINC001575164893 952300331 /nfs/dbraw/zinc/30/03/31/952300331.db2.gz IQRRHNGGMQTDOJ-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1ncnn1 ZINC001575165942 952317506 /nfs/dbraw/zinc/31/75/06/952317506.db2.gz RGRABRCZBJSNCF-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1ncnn1 ZINC001575165942 952317498 /nfs/dbraw/zinc/31/74/98/952317498.db2.gz RGRABRCZBJSNCF-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1ncnn1 ZINC001575165944 952317533 /nfs/dbraw/zinc/31/75/33/952317533.db2.gz RGRABRCZBJSNCF-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1ncnn1 ZINC001575165944 952317525 /nfs/dbraw/zinc/31/75/25/952317525.db2.gz RGRABRCZBJSNCF-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575173902 952360565 /nfs/dbraw/zinc/36/05/65/952360565.db2.gz CPVIAMFCXJDILP-KRWDZBQOSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575173902 952360557 /nfs/dbraw/zinc/36/05/57/952360557.db2.gz CPVIAMFCXJDILP-KRWDZBQOSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575173903 952360545 /nfs/dbraw/zinc/36/05/45/952360545.db2.gz CPVIAMFCXJDILP-QGZVFWFLSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575173903 952360538 /nfs/dbraw/zinc/36/05/38/952360538.db2.gz CPVIAMFCXJDILP-QGZVFWFLSA-N -1 1 387.448 -0.314 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575173992 952362121 /nfs/dbraw/zinc/36/21/21/952362121.db2.gz FEBQUHBODDGAFW-INIZCTEOSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575173992 952362115 /nfs/dbraw/zinc/36/21/15/952362115.db2.gz FEBQUHBODDGAFW-INIZCTEOSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575173993 952362436 /nfs/dbraw/zinc/36/24/36/952362436.db2.gz FEBQUHBODDGAFW-MRXNPFEDSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575173993 952362429 /nfs/dbraw/zinc/36/24/29/952362429.db2.gz FEBQUHBODDGAFW-MRXNPFEDSA-N -1 1 382.388 -0.249 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575174056 952363824 /nfs/dbraw/zinc/36/38/24/952363824.db2.gz GCWYXIRUMKWSBS-AWEZNQCLSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575174056 952363816 /nfs/dbraw/zinc/36/38/16/952363816.db2.gz GCWYXIRUMKWSBS-AWEZNQCLSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575174057 952364077 /nfs/dbraw/zinc/36/40/77/952364077.db2.gz GCWYXIRUMKWSBS-CQSZACIVSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575174057 952364069 /nfs/dbraw/zinc/36/40/69/952364069.db2.gz GCWYXIRUMKWSBS-CQSZACIVSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575174166 952364899 /nfs/dbraw/zinc/36/48/99/952364899.db2.gz IPNPYYXUWRRPFI-KRWDZBQOSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575174166 952364892 /nfs/dbraw/zinc/36/48/92/952364892.db2.gz IPNPYYXUWRRPFI-KRWDZBQOSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575174167 952366276 /nfs/dbraw/zinc/36/62/76/952366276.db2.gz IPNPYYXUWRRPFI-QGZVFWFLSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575174167 952366268 /nfs/dbraw/zinc/36/62/68/952366268.db2.gz IPNPYYXUWRRPFI-QGZVFWFLSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575174198 952366593 /nfs/dbraw/zinc/36/65/93/952366593.db2.gz JGOGJHIKPPIWFV-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575174198 952366584 /nfs/dbraw/zinc/36/65/84/952366584.db2.gz JGOGJHIKPPIWFV-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575174199 952368049 /nfs/dbraw/zinc/36/80/49/952368049.db2.gz JGOGJHIKPPIWFV-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575174199 952368035 /nfs/dbraw/zinc/36/80/35/952368035.db2.gz JGOGJHIKPPIWFV-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575174200 952367678 /nfs/dbraw/zinc/36/76/78/952367678.db2.gz JGOGJHIKPPIWFV-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575174200 952367672 /nfs/dbraw/zinc/36/76/72/952367672.db2.gz JGOGJHIKPPIWFV-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575174201 952367577 /nfs/dbraw/zinc/36/75/77/952367577.db2.gz JGOGJHIKPPIWFV-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575174201 952367571 /nfs/dbraw/zinc/36/75/71/952367571.db2.gz JGOGJHIKPPIWFV-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575174226 952367614 /nfs/dbraw/zinc/36/76/14/952367614.db2.gz JYFUMMYDOXREEY-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575174226 952367611 /nfs/dbraw/zinc/36/76/11/952367611.db2.gz JYFUMMYDOXREEY-JTQLQIEISA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575174227 952368077 /nfs/dbraw/zinc/36/80/77/952368077.db2.gz JYFUMMYDOXREEY-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575174227 952368068 /nfs/dbraw/zinc/36/80/68/952368068.db2.gz JYFUMMYDOXREEY-SNVBAGLBSA-N -1 1 382.450 -0.260 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575174232 952366933 /nfs/dbraw/zinc/36/69/33/952366933.db2.gz KCLIILCLIYNNRW-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575174232 952366924 /nfs/dbraw/zinc/36/69/24/952366924.db2.gz KCLIILCLIYNNRW-SECBINFHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575174233 952368626 /nfs/dbraw/zinc/36/86/26/952368626.db2.gz KCLIILCLIYNNRW-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575174233 952368616 /nfs/dbraw/zinc/36/86/16/952368616.db2.gz KCLIILCLIYNNRW-VIFPVBQESA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCn1cnccc1=O ZINC001575174314 952368898 /nfs/dbraw/zinc/36/88/98/952368898.db2.gz LPZZUMLMNFZCGT-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCn1cnccc1=O ZINC001575174314 952368892 /nfs/dbraw/zinc/36/88/92/952368892.db2.gz LPZZUMLMNFZCGT-LLVKDONJSA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCn1cnccc1=O ZINC001575174315 952369202 /nfs/dbraw/zinc/36/92/02/952369202.db2.gz LPZZUMLMNFZCGT-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCn1cnccc1=O ZINC001575174315 952369195 /nfs/dbraw/zinc/36/91/95/952369195.db2.gz LPZZUMLMNFZCGT-NSHDSACASA-N -1 1 384.404 -0.438 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575174344 952368956 /nfs/dbraw/zinc/36/89/56/952368956.db2.gz MPPZQCXJVQFHML-HNNXBMFYSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575174344 952368952 /nfs/dbraw/zinc/36/89/52/952368952.db2.gz MPPZQCXJVQFHML-HNNXBMFYSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575174345 952370134 /nfs/dbraw/zinc/37/01/34/952370134.db2.gz MPPZQCXJVQFHML-OAHLLOKOSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575174345 952370128 /nfs/dbraw/zinc/37/01/28/952370128.db2.gz MPPZQCXJVQFHML-OAHLLOKOSA-N -1 1 384.408 -0.570 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575174590 952374996 /nfs/dbraw/zinc/37/49/96/952374996.db2.gz ABPSJHRERXHKNR-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575174590 952374991 /nfs/dbraw/zinc/37/49/91/952374991.db2.gz ABPSJHRERXHKNR-SECBINFHSA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575174591 952375730 /nfs/dbraw/zinc/37/57/30/952375730.db2.gz ABPSJHRERXHKNR-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575174591 952375721 /nfs/dbraw/zinc/37/57/21/952375721.db2.gz ABPSJHRERXHKNR-VIFPVBQESA-N -1 1 386.424 -0.029 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccn2nnnc2c1 ZINC001575174614 952376147 /nfs/dbraw/zinc/37/61/47/952376147.db2.gz ANMRYWAPNJODDU-SECBINFHSA-N -1 1 380.376 -0.333 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccn2nnnc2c1 ZINC001575174614 952376144 /nfs/dbraw/zinc/37/61/44/952376144.db2.gz ANMRYWAPNJODDU-SECBINFHSA-N -1 1 380.376 -0.333 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccn2nnnc2c1 ZINC001575174615 952376906 /nfs/dbraw/zinc/37/69/06/952376906.db2.gz ANMRYWAPNJODDU-VIFPVBQESA-N -1 1 380.376 -0.333 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccn2nnnc2c1 ZINC001575174615 952376901 /nfs/dbraw/zinc/37/69/01/952376901.db2.gz ANMRYWAPNJODDU-VIFPVBQESA-N -1 1 380.376 -0.333 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575174622 952376640 /nfs/dbraw/zinc/37/66/40/952376640.db2.gz ATBSEQBJCDFKJW-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575174622 952376633 /nfs/dbraw/zinc/37/66/33/952376633.db2.gz ATBSEQBJCDFKJW-LLVKDONJSA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575174623 952376323 /nfs/dbraw/zinc/37/63/23/952376323.db2.gz ATBSEQBJCDFKJW-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575174623 952376317 /nfs/dbraw/zinc/37/63/17/952376317.db2.gz ATBSEQBJCDFKJW-NSHDSACASA-N -1 1 388.436 -0.279 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575174680 952377802 /nfs/dbraw/zinc/37/78/02/952377802.db2.gz QXRSCYYZLHZBDX-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575174680 952377795 /nfs/dbraw/zinc/37/77/95/952377795.db2.gz QXRSCYYZLHZBDX-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575174681 952377900 /nfs/dbraw/zinc/37/79/00/952377900.db2.gz QXRSCYYZLHZBDX-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575174681 952377895 /nfs/dbraw/zinc/37/78/95/952377895.db2.gz QXRSCYYZLHZBDX-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575174756 952378782 /nfs/dbraw/zinc/37/87/82/952378782.db2.gz SGBZPERFLPPLJQ-GXSJLCMTSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575174756 952378777 /nfs/dbraw/zinc/37/87/77/952378777.db2.gz SGBZPERFLPPLJQ-GXSJLCMTSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575174757 952377723 /nfs/dbraw/zinc/37/77/23/952377723.db2.gz SGBZPERFLPPLJQ-KOLCDFICSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575174757 952377717 /nfs/dbraw/zinc/37/77/17/952377717.db2.gz SGBZPERFLPPLJQ-KOLCDFICSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575174758 952378923 /nfs/dbraw/zinc/37/89/23/952378923.db2.gz SGBZPERFLPPLJQ-MWLCHTKSSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575174758 952378916 /nfs/dbraw/zinc/37/89/16/952378916.db2.gz SGBZPERFLPPLJQ-MWLCHTKSSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575174759 952380677 /nfs/dbraw/zinc/38/06/77/952380677.db2.gz SGBZPERFLPPLJQ-ONGXEEELSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575174759 952380673 /nfs/dbraw/zinc/38/06/73/952380673.db2.gz SGBZPERFLPPLJQ-ONGXEEELSA-N -1 1 390.452 -0.002 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575174881 952380836 /nfs/dbraw/zinc/38/08/36/952380836.db2.gz SXFDUCKPIPFDRO-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575174881 952380829 /nfs/dbraw/zinc/38/08/29/952380829.db2.gz SXFDUCKPIPFDRO-GHMZBOCLSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575174882 952379679 /nfs/dbraw/zinc/37/96/79/952379679.db2.gz SXFDUCKPIPFDRO-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575174882 952379673 /nfs/dbraw/zinc/37/96/73/952379673.db2.gz SXFDUCKPIPFDRO-MNOVXSKESA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575174883 952380790 /nfs/dbraw/zinc/38/07/90/952380790.db2.gz SXFDUCKPIPFDRO-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575174883 952380783 /nfs/dbraw/zinc/38/07/83/952380783.db2.gz SXFDUCKPIPFDRO-QWRGUYRKSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575174884 952380617 /nfs/dbraw/zinc/38/06/17/952380617.db2.gz SXFDUCKPIPFDRO-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575174884 952380612 /nfs/dbraw/zinc/38/06/12/952380612.db2.gz SXFDUCKPIPFDRO-WDEREUQCSA-N -1 1 388.436 -0.294 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575174915 952380202 /nfs/dbraw/zinc/38/02/02/952380202.db2.gz UGFDQQNHNFNBCH-GHMZBOCLSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575174915 952380197 /nfs/dbraw/zinc/38/01/97/952380197.db2.gz UGFDQQNHNFNBCH-GHMZBOCLSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575174916 952379809 /nfs/dbraw/zinc/37/98/09/952379809.db2.gz UGFDQQNHNFNBCH-MNOVXSKESA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575174916 952379797 /nfs/dbraw/zinc/37/97/97/952379797.db2.gz UGFDQQNHNFNBCH-MNOVXSKESA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575174917 952379936 /nfs/dbraw/zinc/37/99/36/952379936.db2.gz UGFDQQNHNFNBCH-QWRGUYRKSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575174917 952379930 /nfs/dbraw/zinc/37/99/30/952379930.db2.gz UGFDQQNHNFNBCH-QWRGUYRKSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575174918 952380168 /nfs/dbraw/zinc/38/01/68/952380168.db2.gz UGFDQQNHNFNBCH-WDEREUQCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575174918 952380165 /nfs/dbraw/zinc/38/01/65/952380165.db2.gz UGFDQQNHNFNBCH-WDEREUQCSA-N -1 1 388.436 -0.151 20 0 GBADMM C[C@H](COc1cccc(F)c1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575175291 952384794 /nfs/dbraw/zinc/38/47/94/952384794.db2.gz BOORQKPXIIGVDH-SECBINFHSA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@@H](COc1cccc(F)c1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575175294 952385353 /nfs/dbraw/zinc/38/53/53/952385353.db2.gz BOORQKPXIIGVDH-VIFPVBQESA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575175308 952385015 /nfs/dbraw/zinc/38/50/15/952385015.db2.gz WSXWMNGQVOKTFK-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575175308 952385007 /nfs/dbraw/zinc/38/50/07/952385007.db2.gz WSXWMNGQVOKTFK-GHMZBOCLSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575175309 952384857 /nfs/dbraw/zinc/38/48/57/952384857.db2.gz WSXWMNGQVOKTFK-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575175309 952384851 /nfs/dbraw/zinc/38/48/51/952384851.db2.gz WSXWMNGQVOKTFK-MNOVXSKESA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575175311 952385941 /nfs/dbraw/zinc/38/59/41/952385941.db2.gz WSXWMNGQVOKTFK-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575175311 952385934 /nfs/dbraw/zinc/38/59/34/952385934.db2.gz WSXWMNGQVOKTFK-QWRGUYRKSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575175313 952385106 /nfs/dbraw/zinc/38/51/06/952385106.db2.gz WSXWMNGQVOKTFK-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575175313 952385099 /nfs/dbraw/zinc/38/50/99/952385099.db2.gz WSXWMNGQVOKTFK-WDEREUQCSA-N -1 1 383.420 -0.230 20 0 GBADMM C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575175436 952386774 /nfs/dbraw/zinc/38/67/74/952386774.db2.gz DCODLXJUZGYYFL-INIZCTEOSA-N -1 1 389.395 -0.110 20 0 GBADMM C[C@](CO)(Cc1ccc(F)cc1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575175437 952386564 /nfs/dbraw/zinc/38/65/64/952386564.db2.gz DCODLXJUZGYYFL-MRXNPFEDSA-N -1 1 389.395 -0.110 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575175629 952386736 /nfs/dbraw/zinc/38/67/36/952386736.db2.gz XOHAZSIDTMCGFL-HNNXBMFYSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575175629 952386727 /nfs/dbraw/zinc/38/67/27/952386727.db2.gz XOHAZSIDTMCGFL-HNNXBMFYSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575175630 952387154 /nfs/dbraw/zinc/38/71/54/952387154.db2.gz XOHAZSIDTMCGFL-OAHLLOKOSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575175630 952387148 /nfs/dbraw/zinc/38/71/48/952387148.db2.gz XOHAZSIDTMCGFL-OAHLLOKOSA-N -1 1 392.445 -0.602 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575175716 952387229 /nfs/dbraw/zinc/38/72/29/952387229.db2.gz YCPNBMFACNJUEQ-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575175716 952387223 /nfs/dbraw/zinc/38/72/23/952387223.db2.gz YCPNBMFACNJUEQ-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575175718 952387896 /nfs/dbraw/zinc/38/78/96/952387896.db2.gz YCPNBMFACNJUEQ-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575175718 952387889 /nfs/dbraw/zinc/38/78/89/952387889.db2.gz YCPNBMFACNJUEQ-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575175720 952387401 /nfs/dbraw/zinc/38/74/01/952387401.db2.gz YCPNBMFACNJUEQ-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575175720 952387393 /nfs/dbraw/zinc/38/73/93/952387393.db2.gz YCPNBMFACNJUEQ-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575175723 952387328 /nfs/dbraw/zinc/38/73/28/952387328.db2.gz YCPNBMFACNJUEQ-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575175723 952387318 /nfs/dbraw/zinc/38/73/18/952387318.db2.gz YCPNBMFACNJUEQ-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H](CO)N(CC1CCC1)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575175813 952388697 /nfs/dbraw/zinc/38/86/97/952388697.db2.gz DTGNKOXREPTPAX-JTQLQIEISA-N -1 1 377.405 -0.471 20 0 GBADMM C[C@H](CO)N(CC1CCC1)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575175819 952389224 /nfs/dbraw/zinc/38/92/24/952389224.db2.gz DTGNKOXREPTPAX-SNVBAGLBSA-N -1 1 377.405 -0.471 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575176232 952392063 /nfs/dbraw/zinc/39/20/63/952392063.db2.gz ZQAUYSIMPNWMBY-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575176232 952392056 /nfs/dbraw/zinc/39/20/56/952392056.db2.gz ZQAUYSIMPNWMBY-BMLIUANNSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575176233 952391890 /nfs/dbraw/zinc/39/18/90/952391890.db2.gz ZQAUYSIMPNWMBY-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575176233 952391883 /nfs/dbraw/zinc/39/18/83/952391883.db2.gz ZQAUYSIMPNWMBY-BTDLBPIBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575176234 952392325 /nfs/dbraw/zinc/39/23/25/952392325.db2.gz ZQAUYSIMPNWMBY-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575176234 952392321 /nfs/dbraw/zinc/39/23/21/952392321.db2.gz ZQAUYSIMPNWMBY-DYZYQPBXSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575176235 952392295 /nfs/dbraw/zinc/39/22/95/952392295.db2.gz ZQAUYSIMPNWMBY-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575176235 952392290 /nfs/dbraw/zinc/39/22/90/952392290.db2.gz ZQAUYSIMPNWMBY-QGHHPUGFSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575176244 952391913 /nfs/dbraw/zinc/39/19/13/952391913.db2.gz ZROMCSWDKJLUNG-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575176244 952391906 /nfs/dbraw/zinc/39/19/06/952391906.db2.gz ZROMCSWDKJLUNG-SECBINFHSA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575176247 952393335 /nfs/dbraw/zinc/39/33/35/952393335.db2.gz ZROMCSWDKJLUNG-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575176247 952393330 /nfs/dbraw/zinc/39/33/30/952393330.db2.gz ZROMCSWDKJLUNG-VIFPVBQESA-N -1 1 382.450 -0.261 20 0 GBADMM C[C@H](COCC(F)(F)F)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575176439 952392518 /nfs/dbraw/zinc/39/25/18/952392518.db2.gz HKSIRUKAPMKOLT-SSDOTTSWSA-N -1 1 391.310 -0.397 20 0 GBADMM C[C@@H](COCC(F)(F)F)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575176444 952393742 /nfs/dbraw/zinc/39/37/42/952393742.db2.gz HKSIRUKAPMKOLT-ZETCQYMHSA-N -1 1 391.310 -0.397 20 0 GBADMM C[C@H](COc1ccccc1F)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575176497 952393785 /nfs/dbraw/zinc/39/37/85/952393785.db2.gz HOCHKNGFJKDLHR-SECBINFHSA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@@H](COc1ccccc1F)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575176499 952394259 /nfs/dbraw/zinc/39/42/59/952394259.db2.gz HOCHKNGFJKDLHR-VIFPVBQESA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@H](COc1ccc(F)cc1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575176523 952393987 /nfs/dbraw/zinc/39/39/87/952393987.db2.gz HYPJEVRAVAZFGO-SECBINFHSA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@@H](COc1ccc(F)cc1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575176525 952394815 /nfs/dbraw/zinc/39/48/15/952394815.db2.gz HYPJEVRAVAZFGO-VIFPVBQESA-N -1 1 389.347 -0.148 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575176611 952395682 /nfs/dbraw/zinc/39/56/82/952395682.db2.gz FAPHKYGUTNXUTQ-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575176611 952395676 /nfs/dbraw/zinc/39/56/76/952395676.db2.gz FAPHKYGUTNXUTQ-SECBINFHSA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575176612 952396461 /nfs/dbraw/zinc/39/64/61/952396461.db2.gz FAPHKYGUTNXUTQ-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575176612 952396457 /nfs/dbraw/zinc/39/64/57/952396457.db2.gz FAPHKYGUTNXUTQ-VIFPVBQESA-N -1 1 385.388 -0.150 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575177009 952398521 /nfs/dbraw/zinc/39/85/21/952398521.db2.gz GBGMYSHDLUMORZ-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575177009 952398514 /nfs/dbraw/zinc/39/85/14/952398514.db2.gz GBGMYSHDLUMORZ-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575177013 952397299 /nfs/dbraw/zinc/39/72/99/952397299.db2.gz GBGMYSHDLUMORZ-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575177013 952397295 /nfs/dbraw/zinc/39/72/95/952397295.db2.gz GBGMYSHDLUMORZ-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575177136 952398158 /nfs/dbraw/zinc/39/81/58/952398158.db2.gz GSXUTMZQZJLXRS-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575177136 952398150 /nfs/dbraw/zinc/39/81/50/952398150.db2.gz GSXUTMZQZJLXRS-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@](CO)(NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001575177137 952397912 /nfs/dbraw/zinc/39/79/12/952397912.db2.gz JTYCYRCAOHMNHT-KRWDZBQOSA-N -1 1 385.384 -0.457 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575177139 952397281 /nfs/dbraw/zinc/39/72/81/952397281.db2.gz GSXUTMZQZJLXRS-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575177139 952397274 /nfs/dbraw/zinc/39/72/74/952397274.db2.gz GSXUTMZQZJLXRS-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@](CO)(NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001575177140 952398279 /nfs/dbraw/zinc/39/82/79/952398279.db2.gz JTYCYRCAOHMNHT-QGZVFWFLSA-N -1 1 385.384 -0.457 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575177213 952399196 /nfs/dbraw/zinc/39/91/96/952399196.db2.gz HEVDUUFTFDFCAA-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575177213 952399188 /nfs/dbraw/zinc/39/91/88/952399188.db2.gz HEVDUUFTFDFCAA-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575177216 952400100 /nfs/dbraw/zinc/40/01/00/952400100.db2.gz HEVDUUFTFDFCAA-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575177216 952400097 /nfs/dbraw/zinc/40/00/97/952400097.db2.gz HEVDUUFTFDFCAA-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COCc1nncn1C ZINC001575177257 952399690 /nfs/dbraw/zinc/39/96/90/952399690.db2.gz HQCJNWIGWYPEBP-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COCc1nncn1C ZINC001575177257 952399683 /nfs/dbraw/zinc/39/96/83/952399683.db2.gz HQCJNWIGWYPEBP-JTQLQIEISA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COCc1nncn1C ZINC001575177260 952399149 /nfs/dbraw/zinc/39/91/49/952399149.db2.gz HQCJNWIGWYPEBP-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COCc1nncn1C ZINC001575177260 952399143 /nfs/dbraw/zinc/39/91/43/952399143.db2.gz HQCJNWIGWYPEBP-SNVBAGLBSA-N -1 1 387.408 -0.739 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575177490 952400969 /nfs/dbraw/zinc/40/09/69/952400969.db2.gz HVGGQHQJSHAGHD-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575177490 952400965 /nfs/dbraw/zinc/40/09/65/952400965.db2.gz HVGGQHQJSHAGHD-MRVPVSSYSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575177492 952400960 /nfs/dbraw/zinc/40/09/60/952400960.db2.gz HVGGQHQJSHAGHD-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001575177492 952400958 /nfs/dbraw/zinc/40/09/58/952400958.db2.gz HVGGQHQJSHAGHD-QMMMGPOBSA-N -1 1 386.376 -0.971 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575177539 952400848 /nfs/dbraw/zinc/40/08/48/952400848.db2.gz HZYTVOUQQZEHDS-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575177539 952400844 /nfs/dbraw/zinc/40/08/44/952400844.db2.gz HZYTVOUQQZEHDS-JTQLQIEISA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575177544 952401190 /nfs/dbraw/zinc/40/11/90/952401190.db2.gz HZYTVOUQQZEHDS-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575177544 952401186 /nfs/dbraw/zinc/40/11/86/952401186.db2.gz HZYTVOUQQZEHDS-SNVBAGLBSA-N -1 1 384.404 -0.044 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COCc1nccn1C ZINC001575178299 952406277 /nfs/dbraw/zinc/40/62/77/952406277.db2.gz LTNRAIIWSWTPOX-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COCc1nccn1C ZINC001575178299 952406272 /nfs/dbraw/zinc/40/62/72/952406272.db2.gz LTNRAIIWSWTPOX-LLVKDONJSA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COCc1nccn1C ZINC001575178304 952405940 /nfs/dbraw/zinc/40/59/40/952405940.db2.gz LTNRAIIWSWTPOX-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COCc1nccn1C ZINC001575178304 952405935 /nfs/dbraw/zinc/40/59/35/952405935.db2.gz LTNRAIIWSWTPOX-NSHDSACASA-N -1 1 386.420 -0.134 20 0 GBADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cn1ncnn1 ZINC001575178747 952407606 /nfs/dbraw/zinc/40/76/06/952407606.db2.gz MEYPCEIJOQWLCF-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cn1ncnn1 ZINC001575178747 952407604 /nfs/dbraw/zinc/40/76/04/952407604.db2.gz MEYPCEIJOQWLCF-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cn1ncnn1 ZINC001575178748 952408199 /nfs/dbraw/zinc/40/81/99/952408199.db2.gz MEYPCEIJOQWLCF-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cn1ncnn1 ZINC001575178748 952408194 /nfs/dbraw/zinc/40/81/94/952408194.db2.gz MEYPCEIJOQWLCF-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@](CO)(Cc1ccccc1F)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575178934 952408597 /nfs/dbraw/zinc/40/85/97/952408597.db2.gz QTFIMRMUANJNGZ-INIZCTEOSA-N -1 1 389.395 -0.110 20 0 GBADMM C[C@](CO)(Cc1ccccc1F)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575178937 952409259 /nfs/dbraw/zinc/40/92/59/952409259.db2.gz QTFIMRMUANJNGZ-MRXNPFEDSA-N -1 1 389.395 -0.110 20 0 GBADMM C[C@@H](CO)C1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001575179571 952412547 /nfs/dbraw/zinc/41/25/47/952412547.db2.gz WCLATGJHRHVVJY-JTQLQIEISA-N -1 1 377.405 -0.614 20 0 GBADMM C[C@H](CO)C1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001575179574 952413366 /nfs/dbraw/zinc/41/33/66/952413366.db2.gz WCLATGJHRHVVJY-SNVBAGLBSA-N -1 1 377.405 -0.614 20 0 GBADMM C[C@@](CO)(NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001575180199 952415749 /nfs/dbraw/zinc/41/57/49/952415749.db2.gz YMPOXPLZZCTTLR-KRWDZBQOSA-N -1 1 391.432 -0.033 20 0 GBADMM C[C@](CO)(NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001575180201 952415339 /nfs/dbraw/zinc/41/53/39/952415339.db2.gz YMPOXPLZZCTTLR-QGZVFWFLSA-N -1 1 391.432 -0.033 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575180244 952417148 /nfs/dbraw/zinc/41/71/48/952417148.db2.gz UJBKRQCYJSKITI-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575180244 952417145 /nfs/dbraw/zinc/41/71/45/952417145.db2.gz UJBKRQCYJSKITI-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575180245 952417036 /nfs/dbraw/zinc/41/70/36/952417036.db2.gz UJBKRQCYJSKITI-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575180245 952417033 /nfs/dbraw/zinc/41/70/33/952417033.db2.gz UJBKRQCYJSKITI-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cn1cnnn1 ZINC001575180553 952417980 /nfs/dbraw/zinc/41/79/80/952417980.db2.gz VXDDLBROCOWPEI-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cn1cnnn1 ZINC001575180553 952417977 /nfs/dbraw/zinc/41/79/77/952417977.db2.gz VXDDLBROCOWPEI-LURJTMIESA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cn1cnnn1 ZINC001575180554 952418624 /nfs/dbraw/zinc/41/86/24/952418624.db2.gz VXDDLBROCOWPEI-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cn1cnnn1 ZINC001575180554 952418618 /nfs/dbraw/zinc/41/86/18/952418618.db2.gz VXDDLBROCOWPEI-ZCFIWIBFSA-N -1 1 383.829 -0.078 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575180725 952419335 /nfs/dbraw/zinc/41/93/35/952419335.db2.gz WWFOHXRCDLIOFN-OWTLIXCDSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575180725 952419330 /nfs/dbraw/zinc/41/93/30/952419330.db2.gz WWFOHXRCDLIOFN-OWTLIXCDSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575180732 952419557 /nfs/dbraw/zinc/41/95/57/952419557.db2.gz WWFOHXRCDLIOFN-ZJQBRPOHSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575180732 952419552 /nfs/dbraw/zinc/41/95/52/952419552.db2.gz WWFOHXRCDLIOFN-ZJQBRPOHSA-N -1 1 388.432 -0.033 20 0 GBADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575180937 952419891 /nfs/dbraw/zinc/41/98/91/952419891.db2.gz YGKBPYYILLVZED-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575180937 952419885 /nfs/dbraw/zinc/41/98/85/952419885.db2.gz YGKBPYYILLVZED-SECBINFHSA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575180938 952419677 /nfs/dbraw/zinc/41/96/77/952419677.db2.gz YGKBPYYILLVZED-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575180938 952419674 /nfs/dbraw/zinc/41/96/74/952419674.db2.gz YGKBPYYILLVZED-VIFPVBQESA-N -1 1 382.388 -0.277 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575184757 952423243 /nfs/dbraw/zinc/42/32/43/952423243.db2.gz BPYPZANTIXITAJ-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575184758 952423321 /nfs/dbraw/zinc/42/33/21/952423321.db2.gz BPYPZANTIXITAJ-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575184759 952422626 /nfs/dbraw/zinc/42/26/26/952422626.db2.gz BPYPZANTIXITAJ-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575184760 952423176 /nfs/dbraw/zinc/42/31/76/952423176.db2.gz BPYPZANTIXITAJ-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575184783 952424469 /nfs/dbraw/zinc/42/44/69/952424469.db2.gz CKRJIQZCRJQIDZ-NXEZZACHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575184783 952424464 /nfs/dbraw/zinc/42/44/64/952424464.db2.gz CKRJIQZCRJQIDZ-NXEZZACHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575184784 952424389 /nfs/dbraw/zinc/42/43/89/952424389.db2.gz CKRJIQZCRJQIDZ-UWVGGRQHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575184784 952424386 /nfs/dbraw/zinc/42/43/86/952424386.db2.gz CKRJIQZCRJQIDZ-UWVGGRQHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575184785 952424545 /nfs/dbraw/zinc/42/45/45/952424545.db2.gz CKRJIQZCRJQIDZ-VHSXEESVSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575184785 952424540 /nfs/dbraw/zinc/42/45/40/952424540.db2.gz CKRJIQZCRJQIDZ-VHSXEESVSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575184786 952424307 /nfs/dbraw/zinc/42/43/07/952424307.db2.gz CKRJIQZCRJQIDZ-ZJUUUORDSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575184786 952424305 /nfs/dbraw/zinc/42/43/05/952424305.db2.gz CKRJIQZCRJQIDZ-ZJUUUORDSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575184821 952424482 /nfs/dbraw/zinc/42/44/82/952424482.db2.gz DCVIGRZPZNCTDN-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575184821 952424478 /nfs/dbraw/zinc/42/44/78/952424478.db2.gz DCVIGRZPZNCTDN-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575184822 952424647 /nfs/dbraw/zinc/42/46/47/952424647.db2.gz DCVIGRZPZNCTDN-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575184822 952424643 /nfs/dbraw/zinc/42/46/43/952424643.db2.gz DCVIGRZPZNCTDN-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575184823 952424516 /nfs/dbraw/zinc/42/45/16/952424516.db2.gz DCVIGRZPZNCTDN-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575184823 952424513 /nfs/dbraw/zinc/42/45/13/952424513.db2.gz DCVIGRZPZNCTDN-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575184824 952423976 /nfs/dbraw/zinc/42/39/76/952423976.db2.gz DCVIGRZPZNCTDN-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575184824 952423972 /nfs/dbraw/zinc/42/39/72/952423972.db2.gz DCVIGRZPZNCTDN-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575184865 952425619 /nfs/dbraw/zinc/42/56/19/952425619.db2.gz FSVDZSRVJRNJIJ-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575184865 952425616 /nfs/dbraw/zinc/42/56/16/952425616.db2.gz FSVDZSRVJRNJIJ-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575184866 952425709 /nfs/dbraw/zinc/42/57/09/952425709.db2.gz FSVDZSRVJRNJIJ-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575184866 952425707 /nfs/dbraw/zinc/42/57/07/952425707.db2.gz FSVDZSRVJRNJIJ-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575184867 952425689 /nfs/dbraw/zinc/42/56/89/952425689.db2.gz FSVDZSRVJRNJIJ-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575184867 952425687 /nfs/dbraw/zinc/42/56/87/952425687.db2.gz FSVDZSRVJRNJIJ-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575184868 952425714 /nfs/dbraw/zinc/42/57/14/952425714.db2.gz FSVDZSRVJRNJIJ-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575184868 952425713 /nfs/dbraw/zinc/42/57/13/952425713.db2.gz FSVDZSRVJRNJIJ-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575184885 952424966 /nfs/dbraw/zinc/42/49/66/952424966.db2.gz GJKQPLISANONRS-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575184885 952424961 /nfs/dbraw/zinc/42/49/61/952424961.db2.gz GJKQPLISANONRS-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575184886 952425133 /nfs/dbraw/zinc/42/51/33/952425133.db2.gz GJKQPLISANONRS-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575184886 952425126 /nfs/dbraw/zinc/42/51/26/952425126.db2.gz GJKQPLISANONRS-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575184887 952425610 /nfs/dbraw/zinc/42/56/10/952425610.db2.gz GJKQPLISANONRS-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575184887 952425606 /nfs/dbraw/zinc/42/56/06/952425606.db2.gz GJKQPLISANONRS-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575184888 952425572 /nfs/dbraw/zinc/42/55/72/952425572.db2.gz GJKQPLISANONRS-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575184888 952425569 /nfs/dbraw/zinc/42/55/69/952425569.db2.gz GJKQPLISANONRS-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575184889 952425362 /nfs/dbraw/zinc/42/53/62/952425362.db2.gz GKKQNTIVKSPUJE-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575184889 952425357 /nfs/dbraw/zinc/42/53/57/952425357.db2.gz GKKQNTIVKSPUJE-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575184890 952425188 /nfs/dbraw/zinc/42/51/88/952425188.db2.gz GKKQNTIVKSPUJE-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575184890 952425184 /nfs/dbraw/zinc/42/51/84/952425184.db2.gz GKKQNTIVKSPUJE-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575184891 952425211 /nfs/dbraw/zinc/42/52/11/952425211.db2.gz GKKQNTIVKSPUJE-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575184891 952425208 /nfs/dbraw/zinc/42/52/08/952425208.db2.gz GKKQNTIVKSPUJE-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575184892 952425226 /nfs/dbraw/zinc/42/52/26/952425226.db2.gz GKKQNTIVKSPUJE-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575184892 952425221 /nfs/dbraw/zinc/42/52/21/952425221.db2.gz GKKQNTIVKSPUJE-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575184897 952425676 /nfs/dbraw/zinc/42/56/76/952425676.db2.gz GWKCAUAJYGLBES-FSIBCCDJSA-N -1 1 380.434 -0.578 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575184897 952425674 /nfs/dbraw/zinc/42/56/74/952425674.db2.gz GWKCAUAJYGLBES-FSIBCCDJSA-N -1 1 380.434 -0.578 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575184898 952425761 /nfs/dbraw/zinc/42/57/61/952425761.db2.gz GWKCAUAJYGLBES-HMDXOVGESA-N -1 1 380.434 -0.578 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575184898 952425760 /nfs/dbraw/zinc/42/57/60/952425760.db2.gz GWKCAUAJYGLBES-HMDXOVGESA-N -1 1 380.434 -0.578 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575184899 952425264 /nfs/dbraw/zinc/42/52/64/952425264.db2.gz GWKCAUAJYGLBES-UMBAGQNISA-N -1 1 380.434 -0.578 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575184899 952425260 /nfs/dbraw/zinc/42/52/60/952425260.db2.gz GWKCAUAJYGLBES-UMBAGQNISA-N -1 1 380.434 -0.578 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575184900 952425080 /nfs/dbraw/zinc/42/50/80/952425080.db2.gz GWKCAUAJYGLBES-XOULXFPDSA-N -1 1 380.434 -0.578 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575184900 952425071 /nfs/dbraw/zinc/42/50/71/952425071.db2.gz GWKCAUAJYGLBES-XOULXFPDSA-N -1 1 380.434 -0.578 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575184995 952427068 /nfs/dbraw/zinc/42/70/68/952427068.db2.gz JAXZVOIWTZBXPR-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575184995 952427067 /nfs/dbraw/zinc/42/70/67/952427067.db2.gz JAXZVOIWTZBXPR-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575184996 952426793 /nfs/dbraw/zinc/42/67/93/952426793.db2.gz JAXZVOIWTZBXPR-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575184996 952426789 /nfs/dbraw/zinc/42/67/89/952426789.db2.gz JAXZVOIWTZBXPR-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575185111 952428788 /nfs/dbraw/zinc/42/87/88/952428788.db2.gz LDFMKNIYIJHGMR-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575185111 952428779 /nfs/dbraw/zinc/42/87/79/952428779.db2.gz LDFMKNIYIJHGMR-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575185112 952428932 /nfs/dbraw/zinc/42/89/32/952428932.db2.gz LDFMKNIYIJHGMR-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575185112 952428929 /nfs/dbraw/zinc/42/89/29/952428929.db2.gz LDFMKNIYIJHGMR-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575185113 952428823 /nfs/dbraw/zinc/42/88/23/952428823.db2.gz LDFMKNIYIJHGMR-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575185113 952428819 /nfs/dbraw/zinc/42/88/19/952428819.db2.gz LDFMKNIYIJHGMR-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575185114 952429572 /nfs/dbraw/zinc/42/95/72/952429572.db2.gz LDFMKNIYIJHGMR-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575185114 952429564 /nfs/dbraw/zinc/42/95/64/952429564.db2.gz LDFMKNIYIJHGMR-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575185117 952429277 /nfs/dbraw/zinc/42/92/77/952429277.db2.gz LHQODYKKKIIYHP-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575185117 952429274 /nfs/dbraw/zinc/42/92/74/952429274.db2.gz LHQODYKKKIIYHP-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575185118 952428616 /nfs/dbraw/zinc/42/86/16/952428616.db2.gz LHQODYKKKIIYHP-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575185118 952428611 /nfs/dbraw/zinc/42/86/11/952428611.db2.gz LHQODYKKKIIYHP-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575185163 952428755 /nfs/dbraw/zinc/42/87/55/952428755.db2.gz MBGRNAXDRIQMGO-NXEZZACHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575185163 952428750 /nfs/dbraw/zinc/42/87/50/952428750.db2.gz MBGRNAXDRIQMGO-NXEZZACHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575185164 952429178 /nfs/dbraw/zinc/42/91/78/952429178.db2.gz MBGRNAXDRIQMGO-UWVGGRQHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575185164 952429176 /nfs/dbraw/zinc/42/91/76/952429176.db2.gz MBGRNAXDRIQMGO-UWVGGRQHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575185165 952428992 /nfs/dbraw/zinc/42/89/92/952428992.db2.gz MBGRNAXDRIQMGO-VHSXEESVSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575185165 952428987 /nfs/dbraw/zinc/42/89/87/952428987.db2.gz MBGRNAXDRIQMGO-VHSXEESVSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575185166 952429388 /nfs/dbraw/zinc/42/93/88/952429388.db2.gz MBGRNAXDRIQMGO-ZJUUUORDSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575185166 952429384 /nfs/dbraw/zinc/42/93/84/952429384.db2.gz MBGRNAXDRIQMGO-ZJUUUORDSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575185209 952430659 /nfs/dbraw/zinc/43/06/59/952430659.db2.gz NAFBYOLXDVNSGE-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575185209 952430655 /nfs/dbraw/zinc/43/06/55/952430655.db2.gz NAFBYOLXDVNSGE-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575185210 952430014 /nfs/dbraw/zinc/43/00/14/952430014.db2.gz NAFBYOLXDVNSGE-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575185210 952430011 /nfs/dbraw/zinc/43/00/11/952430011.db2.gz NAFBYOLXDVNSGE-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575185211 952430650 /nfs/dbraw/zinc/43/06/50/952430650.db2.gz NAFBYOLXDVNSGE-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575185211 952430646 /nfs/dbraw/zinc/43/06/46/952430646.db2.gz NAFBYOLXDVNSGE-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575185212 952430622 /nfs/dbraw/zinc/43/06/22/952430622.db2.gz NAFBYOLXDVNSGE-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575185212 952430619 /nfs/dbraw/zinc/43/06/19/952430619.db2.gz NAFBYOLXDVNSGE-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575185257 952430739 /nfs/dbraw/zinc/43/07/39/952430739.db2.gz OAYCDXSBWKPSNF-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575185257 952430736 /nfs/dbraw/zinc/43/07/36/952430736.db2.gz OAYCDXSBWKPSNF-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575185258 952431979 /nfs/dbraw/zinc/43/19/79/952431979.db2.gz OAYCDXSBWKPSNF-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575185258 952431978 /nfs/dbraw/zinc/43/19/78/952431978.db2.gz OAYCDXSBWKPSNF-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575185259 952431930 /nfs/dbraw/zinc/43/19/30/952431930.db2.gz OAYCDXSBWKPSNF-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575185259 952431927 /nfs/dbraw/zinc/43/19/27/952431927.db2.gz OAYCDXSBWKPSNF-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575185260 952431988 /nfs/dbraw/zinc/43/19/88/952431988.db2.gz OAYCDXSBWKPSNF-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575185260 952431984 /nfs/dbraw/zinc/43/19/84/952431984.db2.gz OAYCDXSBWKPSNF-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575185273 952432130 /nfs/dbraw/zinc/43/21/30/952432130.db2.gz OHKIHECMRIOGJR-GMTAPVOTSA-N -1 1 394.461 -0.982 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575185274 952431425 /nfs/dbraw/zinc/43/14/25/952431425.db2.gz OHKIHECMRIOGJR-OUAUKWLOSA-N -1 1 394.461 -0.982 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575185291 952431584 /nfs/dbraw/zinc/43/15/84/952431584.db2.gz OXOAOGFQNGVCOS-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575185291 952431579 /nfs/dbraw/zinc/43/15/79/952431579.db2.gz OXOAOGFQNGVCOS-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575185292 952431290 /nfs/dbraw/zinc/43/12/90/952431290.db2.gz OXOAOGFQNGVCOS-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575185292 952431284 /nfs/dbraw/zinc/43/12/84/952431284.db2.gz OXOAOGFQNGVCOS-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575185293 952431224 /nfs/dbraw/zinc/43/12/24/952431224.db2.gz OXOAOGFQNGVCOS-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575185293 952431220 /nfs/dbraw/zinc/43/12/20/952431220.db2.gz OXOAOGFQNGVCOS-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575185294 952432087 /nfs/dbraw/zinc/43/20/87/952432087.db2.gz OXOAOGFQNGVCOS-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575185294 952432082 /nfs/dbraw/zinc/43/20/82/952432082.db2.gz OXOAOGFQNGVCOS-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575185325 952431363 /nfs/dbraw/zinc/43/13/63/952431363.db2.gz PJWKVUQDRSKYJE-GMTAPVOTSA-N -1 1 394.461 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575185326 952431233 /nfs/dbraw/zinc/43/12/33/952431233.db2.gz PJWKVUQDRSKYJE-OUAUKWLOSA-N -1 1 394.461 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575185337 952431868 /nfs/dbraw/zinc/43/18/68/952431868.db2.gz POIWWJWDIFQZAA-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575185337 952431865 /nfs/dbraw/zinc/43/18/65/952431865.db2.gz POIWWJWDIFQZAA-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575185338 952433269 /nfs/dbraw/zinc/43/32/69/952433269.db2.gz POIWWJWDIFQZAA-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575185338 952433267 /nfs/dbraw/zinc/43/32/67/952433267.db2.gz POIWWJWDIFQZAA-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575185355 952432817 /nfs/dbraw/zinc/43/28/17/952432817.db2.gz PXFAJXIYRCTCGS-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575185355 952432814 /nfs/dbraw/zinc/43/28/14/952432814.db2.gz PXFAJXIYRCTCGS-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575185356 952433054 /nfs/dbraw/zinc/43/30/54/952433054.db2.gz PXFAJXIYRCTCGS-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575185356 952433048 /nfs/dbraw/zinc/43/30/48/952433048.db2.gz PXFAJXIYRCTCGS-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575185449 952433358 /nfs/dbraw/zinc/43/33/58/952433358.db2.gz QTFVHMJZHCLTGZ-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575185449 952433357 /nfs/dbraw/zinc/43/33/57/952433357.db2.gz QTFVHMJZHCLTGZ-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575185451 952433352 /nfs/dbraw/zinc/43/33/52/952433352.db2.gz QTFVHMJZHCLTGZ-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575185451 952433351 /nfs/dbraw/zinc/43/33/51/952433351.db2.gz QTFVHMJZHCLTGZ-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575185453 952433346 /nfs/dbraw/zinc/43/33/46/952433346.db2.gz QTFVHMJZHCLTGZ-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575185453 952433345 /nfs/dbraw/zinc/43/33/45/952433345.db2.gz QTFVHMJZHCLTGZ-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575185455 952433196 /nfs/dbraw/zinc/43/31/96/952433196.db2.gz QTFVHMJZHCLTGZ-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575185455 952433190 /nfs/dbraw/zinc/43/31/90/952433190.db2.gz QTFVHMJZHCLTGZ-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575185471 952432993 /nfs/dbraw/zinc/43/29/93/952432993.db2.gz QYGAHWXBWZVPAB-NXEZZACHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575185473 952433117 /nfs/dbraw/zinc/43/31/17/952433117.db2.gz QYGAHWXBWZVPAB-UWVGGRQHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575185474 952433006 /nfs/dbraw/zinc/43/30/06/952433006.db2.gz QYGAHWXBWZVPAB-VHSXEESVSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575185475 952433284 /nfs/dbraw/zinc/43/32/84/952433284.db2.gz QYGAHWXBWZVPAB-ZJUUUORDSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575185520 952434314 /nfs/dbraw/zinc/43/43/14/952434314.db2.gz RSCOETOAXADZPC-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575185520 952434308 /nfs/dbraw/zinc/43/43/08/952434308.db2.gz RSCOETOAXADZPC-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575185522 952434402 /nfs/dbraw/zinc/43/44/02/952434402.db2.gz RSCOETOAXADZPC-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575185522 952434397 /nfs/dbraw/zinc/43/43/97/952434397.db2.gz RSCOETOAXADZPC-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575185524 952434128 /nfs/dbraw/zinc/43/41/28/952434128.db2.gz RSCOETOAXADZPC-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575185524 952434124 /nfs/dbraw/zinc/43/41/24/952434124.db2.gz RSCOETOAXADZPC-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575185526 952434546 /nfs/dbraw/zinc/43/45/46/952434546.db2.gz RSCOETOAXADZPC-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575185526 952434543 /nfs/dbraw/zinc/43/45/43/952434543.db2.gz RSCOETOAXADZPC-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575185541 952433805 /nfs/dbraw/zinc/43/38/05/952433805.db2.gz RZRSDCUVUYJLLQ-DCAQKATOSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575185541 952433800 /nfs/dbraw/zinc/43/38/00/952433800.db2.gz RZRSDCUVUYJLLQ-DCAQKATOSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575185542 952433668 /nfs/dbraw/zinc/43/36/68/952433668.db2.gz RZRSDCUVUYJLLQ-VWYCJHECSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575185542 952433666 /nfs/dbraw/zinc/43/36/66/952433666.db2.gz RZRSDCUVUYJLLQ-VWYCJHECSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575185545 952434570 /nfs/dbraw/zinc/43/45/70/952434570.db2.gz SEHZKYGGDWIJGD-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575185545 952434567 /nfs/dbraw/zinc/43/45/67/952434567.db2.gz SEHZKYGGDWIJGD-SECBINFHSA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575185546 952434558 /nfs/dbraw/zinc/43/45/58/952434558.db2.gz SEHZKYGGDWIJGD-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575185546 952434556 /nfs/dbraw/zinc/43/45/56/952434556.db2.gz SEHZKYGGDWIJGD-VIFPVBQESA-N -1 1 380.434 -0.602 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575185563 952434629 /nfs/dbraw/zinc/43/46/29/952434629.db2.gz SNGXMJALCLSASZ-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575185564 952433719 /nfs/dbraw/zinc/43/37/19/952433719.db2.gz SNGXMJALCLSASZ-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575185577 952434169 /nfs/dbraw/zinc/43/41/69/952434169.db2.gz TULVJJNEGBEEJY-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575185577 952434165 /nfs/dbraw/zinc/43/41/65/952434165.db2.gz TULVJJNEGBEEJY-NXEZZACHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575185578 952434190 /nfs/dbraw/zinc/43/41/90/952434190.db2.gz TULVJJNEGBEEJY-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575185578 952434186 /nfs/dbraw/zinc/43/41/86/952434186.db2.gz TULVJJNEGBEEJY-UWVGGRQHSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575185579 952434013 /nfs/dbraw/zinc/43/40/13/952434013.db2.gz TULVJJNEGBEEJY-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575185579 952434007 /nfs/dbraw/zinc/43/40/07/952434007.db2.gz TULVJJNEGBEEJY-VHSXEESVSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575185580 952434269 /nfs/dbraw/zinc/43/42/69/952434269.db2.gz TULVJJNEGBEEJY-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575185580 952434264 /nfs/dbraw/zinc/43/42/64/952434264.db2.gz TULVJJNEGBEEJY-ZJUUUORDSA-N -1 1 380.434 -0.968 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575185649 952433903 /nfs/dbraw/zinc/43/39/03/952433903.db2.gz TWCVIDOZFYGCKY-DCAQKATOSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575185650 952434281 /nfs/dbraw/zinc/43/42/81/952434281.db2.gz TWCVIDOZFYGCKY-VWYCJHECSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575185687 952434805 /nfs/dbraw/zinc/43/48/05/952434805.db2.gz URQBCZSMRMNNJV-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575185687 952434801 /nfs/dbraw/zinc/43/48/01/952434801.db2.gz URQBCZSMRMNNJV-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575185689 952435790 /nfs/dbraw/zinc/43/57/90/952435790.db2.gz URQBCZSMRMNNJV-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575185689 952435787 /nfs/dbraw/zinc/43/57/87/952435787.db2.gz URQBCZSMRMNNJV-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001575185723 952435812 /nfs/dbraw/zinc/43/58/12/952435812.db2.gz VCJKWMGVTDDPFG-MRVPVSSYSA-N -1 1 384.422 -0.954 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001575185723 952435810 /nfs/dbraw/zinc/43/58/10/952435810.db2.gz VCJKWMGVTDDPFG-MRVPVSSYSA-N -1 1 384.422 -0.954 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001575185724 952435083 /nfs/dbraw/zinc/43/50/83/952435083.db2.gz VCJKWMGVTDDPFG-QMMMGPOBSA-N -1 1 384.422 -0.954 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001575185724 952435077 /nfs/dbraw/zinc/43/50/77/952435077.db2.gz VCJKWMGVTDDPFG-QMMMGPOBSA-N -1 1 384.422 -0.954 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575185733 952435363 /nfs/dbraw/zinc/43/53/63/952435363.db2.gz VGRKKLRFQAKVLT-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575185733 952435358 /nfs/dbraw/zinc/43/53/58/952435358.db2.gz VGRKKLRFQAKVLT-JTQLQIEISA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575185734 952435484 /nfs/dbraw/zinc/43/54/84/952435484.db2.gz VGRKKLRFQAKVLT-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575185734 952435481 /nfs/dbraw/zinc/43/54/81/952435481.db2.gz VGRKKLRFQAKVLT-SNVBAGLBSA-N -1 1 382.450 -0.768 20 0 GBADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575185735 952435050 /nfs/dbraw/zinc/43/50/50/952435050.db2.gz VHJCVBSCQNDEQZ-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575185735 952435045 /nfs/dbraw/zinc/43/50/45/952435045.db2.gz VHJCVBSCQNDEQZ-NXEZZACHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575185736 952435163 /nfs/dbraw/zinc/43/51/63/952435163.db2.gz VHJCVBSCQNDEQZ-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575185736 952435156 /nfs/dbraw/zinc/43/51/56/952435156.db2.gz VHJCVBSCQNDEQZ-UWVGGRQHSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575185737 952434772 /nfs/dbraw/zinc/43/47/72/952434772.db2.gz VHJCVBSCQNDEQZ-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575185737 952434770 /nfs/dbraw/zinc/43/47/70/952434770.db2.gz VHJCVBSCQNDEQZ-VHSXEESVSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575185738 952435697 /nfs/dbraw/zinc/43/56/97/952435697.db2.gz VHJCVBSCQNDEQZ-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575185738 952435694 /nfs/dbraw/zinc/43/56/94/952435694.db2.gz VHJCVBSCQNDEQZ-ZJUUUORDSA-N -1 1 382.450 -0.404 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575185771 952435632 /nfs/dbraw/zinc/43/56/32/952435632.db2.gz WITGSRFRBTZBPY-NXEZZACHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575185771 952435628 /nfs/dbraw/zinc/43/56/28/952435628.db2.gz WITGSRFRBTZBPY-NXEZZACHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575185772 952434817 /nfs/dbraw/zinc/43/48/17/952434817.db2.gz WITGSRFRBTZBPY-UWVGGRQHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575185772 952434815 /nfs/dbraw/zinc/43/48/15/952434815.db2.gz WITGSRFRBTZBPY-UWVGGRQHSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575185773 952435204 /nfs/dbraw/zinc/43/52/04/952435204.db2.gz WITGSRFRBTZBPY-VHSXEESVSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575185773 952435202 /nfs/dbraw/zinc/43/52/02/952435202.db2.gz WITGSRFRBTZBPY-VHSXEESVSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575185774 952435584 /nfs/dbraw/zinc/43/55/84/952435584.db2.gz WITGSRFRBTZBPY-ZJUUUORDSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575185774 952435575 /nfs/dbraw/zinc/43/55/75/952435575.db2.gz WITGSRFRBTZBPY-ZJUUUORDSA-N -1 1 382.450 -0.722 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001575186004 952436513 /nfs/dbraw/zinc/43/65/13/952436513.db2.gz XQRDRVSIFDEASW-DCAQKATOSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001575186004 952436511 /nfs/dbraw/zinc/43/65/11/952436511.db2.gz XQRDRVSIFDEASW-DCAQKATOSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001575186007 952436186 /nfs/dbraw/zinc/43/61/86/952436186.db2.gz XQRDRVSIFDEASW-VWYCJHECSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001575186007 952436183 /nfs/dbraw/zinc/43/61/83/952436183.db2.gz XQRDRVSIFDEASW-VWYCJHECSA-N -1 1 392.445 -0.873 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575186039 952436145 /nfs/dbraw/zinc/43/61/45/952436145.db2.gz YBRBZKFVZIQJMP-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575186039 952436139 /nfs/dbraw/zinc/43/61/39/952436139.db2.gz YBRBZKFVZIQJMP-BBBLOLIVSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575186040 952436212 /nfs/dbraw/zinc/43/62/12/952436212.db2.gz YBRBZKFVZIQJMP-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575186040 952436207 /nfs/dbraw/zinc/43/62/07/952436207.db2.gz YBRBZKFVZIQJMP-GUBZILKMSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575186041 952436558 /nfs/dbraw/zinc/43/65/58/952436558.db2.gz YBRBZKFVZIQJMP-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575186041 952436555 /nfs/dbraw/zinc/43/65/55/952436555.db2.gz YBRBZKFVZIQJMP-LPEHRKFASA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575186042 952436735 /nfs/dbraw/zinc/43/67/35/952436735.db2.gz YBRBZKFVZIQJMP-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575186042 952436732 /nfs/dbraw/zinc/43/67/32/952436732.db2.gz YBRBZKFVZIQJMP-OPRDCNLKSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575186077 952437364 /nfs/dbraw/zinc/43/73/64/952437364.db2.gz YZTLCLFNOLNMSG-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575186077 952437359 /nfs/dbraw/zinc/43/73/59/952437359.db2.gz YZTLCLFNOLNMSG-NXEZZACHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575186078 952437467 /nfs/dbraw/zinc/43/74/67/952437467.db2.gz YZTLCLFNOLNMSG-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575186078 952437463 /nfs/dbraw/zinc/43/74/63/952437463.db2.gz YZTLCLFNOLNMSG-UWVGGRQHSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575186079 952437380 /nfs/dbraw/zinc/43/73/80/952437380.db2.gz YZTLCLFNOLNMSG-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575186079 952437376 /nfs/dbraw/zinc/43/73/76/952437376.db2.gz YZTLCLFNOLNMSG-VHSXEESVSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575186080 952437436 /nfs/dbraw/zinc/43/74/36/952437436.db2.gz YZTLCLFNOLNMSG-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575186080 952437432 /nfs/dbraw/zinc/43/74/32/952437432.db2.gz YZTLCLFNOLNMSG-ZJUUUORDSA-N -1 1 380.434 -0.650 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575186193 952438082 /nfs/dbraw/zinc/43/80/82/952438082.db2.gz ZRIIMNGCZCFTCC-NXEZZACHSA-N -1 1 382.450 -0.982 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575186196 952437585 /nfs/dbraw/zinc/43/75/85/952437585.db2.gz ZRIIMNGCZCFTCC-UWVGGRQHSA-N -1 1 382.450 -0.982 20 0 GBADMM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575186198 952437893 /nfs/dbraw/zinc/43/78/93/952437893.db2.gz ZRIIMNGCZCFTCC-VHSXEESVSA-N -1 1 382.450 -0.982 20 0 GBADMM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575186200 952438181 /nfs/dbraw/zinc/43/81/81/952438181.db2.gz ZRIIMNGCZCFTCC-ZJUUUORDSA-N -1 1 382.450 -0.982 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575188620 952450412 /nfs/dbraw/zinc/45/04/12/952450412.db2.gz KFSGDTIUAXBSSJ-GFCCVEGCSA-N -1 1 386.416 -0.217 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575188622 952449832 /nfs/dbraw/zinc/44/98/32/952449832.db2.gz KFSGDTIUAXBSSJ-LBPRGKRZSA-N -1 1 386.416 -0.217 20 0 GBADMM C[C@@H](Cc1cccnc1)NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575188985 952452899 /nfs/dbraw/zinc/45/28/99/952452899.db2.gz LSDKGNGWYGFRSY-JTQLQIEISA-N -1 1 385.388 -0.546 20 0 GBADMM C[C@H](Cc1cccnc1)NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575188986 952452693 /nfs/dbraw/zinc/45/26/93/952452693.db2.gz LSDKGNGWYGFRSY-SNVBAGLBSA-N -1 1 385.388 -0.546 20 0 GBADMM C[C@@H](Cc1cccc(O)c1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575190658 952464046 /nfs/dbraw/zinc/46/40/46/952464046.db2.gz VJMDMEDLBATACE-JTQLQIEISA-N -1 1 385.384 -0.028 20 0 GBADMM C[C@H](Cc1cccc(O)c1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575190659 952463921 /nfs/dbraw/zinc/46/39/21/952463921.db2.gz VJMDMEDLBATACE-SNVBAGLBSA-N -1 1 385.384 -0.028 20 0 GBADMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575190660 952464237 /nfs/dbraw/zinc/46/42/37/952464237.db2.gz VKOPUBXEJFHXGK-JTQLQIEISA-N -1 1 385.384 -0.076 20 0 GBADMM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575190662 952463523 /nfs/dbraw/zinc/46/35/23/952463523.db2.gz VKOPUBXEJFHXGK-SNVBAGLBSA-N -1 1 385.384 -0.076 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575191080 952466585 /nfs/dbraw/zinc/46/65/85/952466585.db2.gz WXPADXOYPAFLAG-NEPJUHHUSA-N -1 1 386.416 -0.218 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575191082 952466392 /nfs/dbraw/zinc/46/63/92/952466392.db2.gz WXPADXOYPAFLAG-NWDGAFQWSA-N -1 1 386.416 -0.218 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575191083 952466261 /nfs/dbraw/zinc/46/62/61/952466261.db2.gz WXPADXOYPAFLAG-RYUDHWBXSA-N -1 1 386.416 -0.218 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575191085 952465947 /nfs/dbraw/zinc/46/59/47/952465947.db2.gz WXPADXOYPAFLAG-VXGBXAGGSA-N -1 1 386.416 -0.218 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575196708 952476745 /nfs/dbraw/zinc/47/67/45/952476745.db2.gz JDRXJZDRIWKBDO-GDLCADMTSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001575196708 952476739 /nfs/dbraw/zinc/47/67/39/952476739.db2.gz JDRXJZDRIWKBDO-GDLCADMTSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575196710 952476598 /nfs/dbraw/zinc/47/65/98/952476598.db2.gz JDRXJZDRIWKBDO-HONMWMINSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001575196710 952476595 /nfs/dbraw/zinc/47/65/95/952476595.db2.gz JDRXJZDRIWKBDO-HONMWMINSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575196712 952476956 /nfs/dbraw/zinc/47/69/56/952476956.db2.gz JDRXJZDRIWKBDO-LERXQTSPSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001575196712 952476951 /nfs/dbraw/zinc/47/69/51/952476951.db2.gz JDRXJZDRIWKBDO-LERXQTSPSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575196713 952477325 /nfs/dbraw/zinc/47/73/25/952477325.db2.gz JDRXJZDRIWKBDO-ZLKJLUDKSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001575196713 952477322 /nfs/dbraw/zinc/47/73/22/952477322.db2.gz JDRXJZDRIWKBDO-ZLKJLUDKSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001575196940 952477851 /nfs/dbraw/zinc/47/78/51/952477851.db2.gz LUJCFQOAYWIXTE-CYZMBNFOSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001575196940 952477845 /nfs/dbraw/zinc/47/78/45/952477845.db2.gz LUJCFQOAYWIXTE-CYZMBNFOSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001575196942 952478511 /nfs/dbraw/zinc/47/85/11/952478511.db2.gz LUJCFQOAYWIXTE-RAIGVLPGSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001575196942 952478504 /nfs/dbraw/zinc/47/85/04/952478504.db2.gz LUJCFQOAYWIXTE-RAIGVLPGSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001575196945 952477744 /nfs/dbraw/zinc/47/77/44/952477744.db2.gz LUJCFQOAYWIXTE-RTXFEEFZSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001575196945 952477740 /nfs/dbraw/zinc/47/77/40/952477740.db2.gz LUJCFQOAYWIXTE-RTXFEEFZSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001575196947 952477881 /nfs/dbraw/zinc/47/78/81/952477881.db2.gz LUJCFQOAYWIXTE-UHTWSYAYSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001575196947 952477876 /nfs/dbraw/zinc/47/78/76/952477876.db2.gz LUJCFQOAYWIXTE-UHTWSYAYSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575197193 952481006 /nfs/dbraw/zinc/48/10/06/952481006.db2.gz PFGNUXLWTLHPEU-CYZMBNFOSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575197194 952480841 /nfs/dbraw/zinc/48/08/41/952480841.db2.gz PFGNUXLWTLHPEU-RAIGVLPGSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575197195 952480664 /nfs/dbraw/zinc/48/06/64/952480664.db2.gz PFGNUXLWTLHPEU-RTXFEEFZSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575197196 952480571 /nfs/dbraw/zinc/48/05/71/952480571.db2.gz PFGNUXLWTLHPEU-UHTWSYAYSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001575197337 952483074 /nfs/dbraw/zinc/48/30/74/952483074.db2.gz UJZMIQMLZBYDKI-GDLCADMTSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001575197337 952483070 /nfs/dbraw/zinc/48/30/70/952483070.db2.gz UJZMIQMLZBYDKI-GDLCADMTSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001575197338 952483710 /nfs/dbraw/zinc/48/37/10/952483710.db2.gz UJZMIQMLZBYDKI-HONMWMINSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001575197338 952483709 /nfs/dbraw/zinc/48/37/09/952483709.db2.gz UJZMIQMLZBYDKI-HONMWMINSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001575197339 952483253 /nfs/dbraw/zinc/48/32/53/952483253.db2.gz UJZMIQMLZBYDKI-LERXQTSPSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001575197339 952483248 /nfs/dbraw/zinc/48/32/48/952483248.db2.gz UJZMIQMLZBYDKI-LERXQTSPSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001575197340 952482699 /nfs/dbraw/zinc/48/26/99/952482699.db2.gz UJZMIQMLZBYDKI-ZLKJLUDKSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001575197340 952482696 /nfs/dbraw/zinc/48/26/96/952482696.db2.gz UJZMIQMLZBYDKI-ZLKJLUDKSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575197453 952485006 /nfs/dbraw/zinc/48/50/06/952485006.db2.gz WIVHSWZSGCPYPP-GDLCADMTSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575197453 952485003 /nfs/dbraw/zinc/48/50/03/952485003.db2.gz WIVHSWZSGCPYPP-GDLCADMTSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575197454 952484488 /nfs/dbraw/zinc/48/44/88/952484488.db2.gz WIVHSWZSGCPYPP-HONMWMINSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575197454 952484486 /nfs/dbraw/zinc/48/44/86/952484486.db2.gz WIVHSWZSGCPYPP-HONMWMINSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575197455 952485100 /nfs/dbraw/zinc/48/51/00/952485100.db2.gz WIVHSWZSGCPYPP-LERXQTSPSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575197455 952485098 /nfs/dbraw/zinc/48/50/98/952485098.db2.gz WIVHSWZSGCPYPP-LERXQTSPSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575197456 952484973 /nfs/dbraw/zinc/48/49/73/952484973.db2.gz WIVHSWZSGCPYPP-ZLKJLUDKSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575197456 952484970 /nfs/dbraw/zinc/48/49/70/952484970.db2.gz WIVHSWZSGCPYPP-ZLKJLUDKSA-N -1 1 384.400 -0.206 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575200290 952494480 /nfs/dbraw/zinc/49/44/80/952494480.db2.gz IESHNDIUZSVZNZ-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200290 952494476 /nfs/dbraw/zinc/49/44/76/952494476.db2.gz IESHNDIUZSVZNZ-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575200293 952494368 /nfs/dbraw/zinc/49/43/68/952494368.db2.gz IESHNDIUZSVZNZ-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200293 952494363 /nfs/dbraw/zinc/49/43/63/952494363.db2.gz IESHNDIUZSVZNZ-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575200296 952494600 /nfs/dbraw/zinc/49/46/00/952494600.db2.gz IESHNDIUZSVZNZ-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200296 952494594 /nfs/dbraw/zinc/49/45/94/952494594.db2.gz IESHNDIUZSVZNZ-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575200299 952493907 /nfs/dbraw/zinc/49/39/07/952493907.db2.gz IESHNDIUZSVZNZ-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200299 952493899 /nfs/dbraw/zinc/49/38/99/952493899.db2.gz IESHNDIUZSVZNZ-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575201411 952503435 /nfs/dbraw/zinc/50/34/35/952503435.db2.gz PGCGESOBJZPIIY-NEPJUHHUSA-N -1 1 384.448 -0.050 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575201413 952503158 /nfs/dbraw/zinc/50/31/58/952503158.db2.gz PGCGESOBJZPIIY-NWDGAFQWSA-N -1 1 384.448 -0.050 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575201415 952503575 /nfs/dbraw/zinc/50/35/75/952503575.db2.gz PGCGESOBJZPIIY-RYUDHWBXSA-N -1 1 384.448 -0.050 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575201417 952504116 /nfs/dbraw/zinc/50/41/16/952504116.db2.gz PGCGESOBJZPIIY-VXGBXAGGSA-N -1 1 384.448 -0.050 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575202180 952511175 /nfs/dbraw/zinc/51/11/75/952511175.db2.gz SNSWGKTXNJMPFV-GFCCVEGCSA-N -1 1 382.432 -0.082 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575202180 952511173 /nfs/dbraw/zinc/51/11/73/952511173.db2.gz SNSWGKTXNJMPFV-GFCCVEGCSA-N -1 1 382.432 -0.082 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575202181 952512232 /nfs/dbraw/zinc/51/22/32/952512232.db2.gz SNSWGKTXNJMPFV-LBPRGKRZSA-N -1 1 382.432 -0.082 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575202181 952512229 /nfs/dbraw/zinc/51/22/29/952512229.db2.gz SNSWGKTXNJMPFV-LBPRGKRZSA-N -1 1 382.432 -0.082 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202196 952511752 /nfs/dbraw/zinc/51/17/52/952511752.db2.gz UHHDEYBZXVMIGY-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202197 952511506 /nfs/dbraw/zinc/51/15/06/952511506.db2.gz UHHDEYBZXVMIGY-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202198 952512297 /nfs/dbraw/zinc/51/22/97/952512297.db2.gz UHHDEYBZXVMIGY-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202199 952512250 /nfs/dbraw/zinc/51/22/50/952512250.db2.gz UHHDEYBZXVMIGY-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575202204 952511525 /nfs/dbraw/zinc/51/15/25/952511525.db2.gz UIYVGVOQRRVDLN-GFCCVEGCSA-N -1 1 382.432 -0.082 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575202206 952512170 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ZUTJGEKUYWHVEA-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575203117 952517930 /nfs/dbraw/zinc/51/79/30/952517930.db2.gz ZUTJGEKUYWHVEA-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575203118 952518728 /nfs/dbraw/zinc/51/87/28/952518728.db2.gz ZUTJGEKUYWHVEA-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575203118 952518722 /nfs/dbraw/zinc/51/87/22/952518722.db2.gz ZUTJGEKUYWHVEA-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575203119 952518664 /nfs/dbraw/zinc/51/86/64/952518664.db2.gz ZUTJGEKUYWHVEA-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575203119 952518657 /nfs/dbraw/zinc/51/86/57/952518657.db2.gz ZUTJGEKUYWHVEA-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575203120 952518034 /nfs/dbraw/zinc/51/80/34/952518034.db2.gz ZUTJGEKUYWHVEA-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575203120 952518028 /nfs/dbraw/zinc/51/80/28/952518028.db2.gz ZUTJGEKUYWHVEA-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1ccncc1)NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575203410 952523133 /nfs/dbraw/zinc/52/31/33/952523133.db2.gz WDMJZBSYAOYIBM-JTQLQIEISA-N -1 1 385.388 -0.546 20 0 GBADMM C[C@H](Cc1ccncc1)NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575203411 952522636 /nfs/dbraw/zinc/52/26/36/952522636.db2.gz WDMJZBSYAOYIBM-SNVBAGLBSA-N -1 1 385.388 -0.546 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575205465 952525262 /nfs/dbraw/zinc/52/52/62/952525262.db2.gz AHPKHGCURILIAM-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575205465 952525259 /nfs/dbraw/zinc/52/52/59/952525259.db2.gz AHPKHGCURILIAM-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575205466 952525207 /nfs/dbraw/zinc/52/52/07/952525207.db2.gz AHPKHGCURILIAM-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575205466 952525203 /nfs/dbraw/zinc/52/52/03/952525203.db2.gz AHPKHGCURILIAM-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575205467 952525741 /nfs/dbraw/zinc/52/57/41/952525741.db2.gz AHPKHGCURILIAM-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575205467 952525737 /nfs/dbraw/zinc/52/57/37/952525737.db2.gz AHPKHGCURILIAM-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575205468 952525105 /nfs/dbraw/zinc/52/51/05/952525105.db2.gz AHPKHGCURILIAM-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575205468 952525096 /nfs/dbraw/zinc/52/50/96/952525096.db2.gz AHPKHGCURILIAM-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575205755 952526727 /nfs/dbraw/zinc/52/67/27/952526727.db2.gz FAMJYINEOLHDKN-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575205755 952526720 /nfs/dbraw/zinc/52/67/20/952526720.db2.gz FAMJYINEOLHDKN-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575205756 952526416 /nfs/dbraw/zinc/52/64/16/952526416.db2.gz FAMJYINEOLHDKN-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575205756 952526412 /nfs/dbraw/zinc/52/64/12/952526412.db2.gz FAMJYINEOLHDKN-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575205757 952526927 /nfs/dbraw/zinc/52/69/27/952526927.db2.gz FAMJYINEOLHDKN-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575205757 952526924 /nfs/dbraw/zinc/52/69/24/952526924.db2.gz FAMJYINEOLHDKN-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575205854 952526332 /nfs/dbraw/zinc/52/63/32/952526332.db2.gz FAMJYINEOLHDKN-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575205854 952526328 /nfs/dbraw/zinc/52/63/28/952526328.db2.gz FAMJYINEOLHDKN-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575206149 952528547 /nfs/dbraw/zinc/52/85/47/952528547.db2.gz HTMYYYHRCQNTTI-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575206149 952528544 /nfs/dbraw/zinc/52/85/44/952528544.db2.gz HTMYYYHRCQNTTI-AAEUAGOBSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575206150 952528031 /nfs/dbraw/zinc/52/80/31/952528031.db2.gz HTMYYYHRCQNTTI-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575206150 952528027 /nfs/dbraw/zinc/52/80/27/952528027.db2.gz HTMYYYHRCQNTTI-DGCLKSJQSA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575206151 952528522 /nfs/dbraw/zinc/52/85/22/952528522.db2.gz HTMYYYHRCQNTTI-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575206151 952528518 /nfs/dbraw/zinc/52/85/18/952528518.db2.gz HTMYYYHRCQNTTI-WCQYABFASA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575206162 952528725 /nfs/dbraw/zinc/52/87/25/952528725.db2.gz HTMYYYHRCQNTTI-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575206162 952528713 /nfs/dbraw/zinc/52/87/13/952528713.db2.gz HTMYYYHRCQNTTI-YPMHNXCESA-N -1 1 382.432 -0.036 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575206292 952529643 /nfs/dbraw/zinc/52/96/43/952529643.db2.gz IYKGPZGCIZTAKW-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575206292 952529638 /nfs/dbraw/zinc/52/96/38/952529638.db2.gz IYKGPZGCIZTAKW-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575206295 952529995 /nfs/dbraw/zinc/52/99/95/952529995.db2.gz IYKGPZGCIZTAKW-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575206295 952529992 /nfs/dbraw/zinc/52/99/92/952529992.db2.gz IYKGPZGCIZTAKW-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575206298 952529577 /nfs/dbraw/zinc/52/95/77/952529577.db2.gz IYKGPZGCIZTAKW-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575206298 952529569 /nfs/dbraw/zinc/52/95/69/952529569.db2.gz IYKGPZGCIZTAKW-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575206301 952529970 /nfs/dbraw/zinc/52/99/70/952529970.db2.gz IYKGPZGCIZTAKW-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575206301 952529966 /nfs/dbraw/zinc/52/99/66/952529966.db2.gz IYKGPZGCIZTAKW-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575206461 952529041 /nfs/dbraw/zinc/52/90/41/952529041.db2.gz JPMOKJCAXADKEN-LLVKDONJSA-N -1 1 382.432 -0.248 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575206465 952529445 /nfs/dbraw/zinc/52/94/45/952529445.db2.gz JPMOKJCAXADKEN-NSHDSACASA-N -1 1 382.432 -0.248 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001575207548 952533738 /nfs/dbraw/zinc/53/37/38/952533738.db2.gz RAGJSTLXICRLFX-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001575207548 952533734 /nfs/dbraw/zinc/53/37/34/952533734.db2.gz RAGJSTLXICRLFX-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001575207550 952533313 /nfs/dbraw/zinc/53/33/13/952533313.db2.gz RAGJSTLXICRLFX-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001575207550 952533309 /nfs/dbraw/zinc/53/33/09/952533309.db2.gz RAGJSTLXICRLFX-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001575207552 952533811 /nfs/dbraw/zinc/53/38/11/952533811.db2.gz RAGJSTLXICRLFX-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001575207552 952533807 /nfs/dbraw/zinc/53/38/07/952533807.db2.gz RAGJSTLXICRLFX-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001575207554 952533244 /nfs/dbraw/zinc/53/32/44/952533244.db2.gz RAGJSTLXICRLFX-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001575207554 952533241 /nfs/dbraw/zinc/53/32/41/952533241.db2.gz RAGJSTLXICRLFX-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575207627 952534402 /nfs/dbraw/zinc/53/44/02/952534402.db2.gz RWWUDLBTYBKNLN-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575207627 952534400 /nfs/dbraw/zinc/53/44/00/952534400.db2.gz RWWUDLBTYBKNLN-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575207629 952534430 /nfs/dbraw/zinc/53/44/30/952534430.db2.gz RWWUDLBTYBKNLN-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575207629 952534428 /nfs/dbraw/zinc/53/44/28/952534428.db2.gz RWWUDLBTYBKNLN-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575207632 952535239 /nfs/dbraw/zinc/53/52/39/952535239.db2.gz RWWUDLBTYBKNLN-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575207632 952535236 /nfs/dbraw/zinc/53/52/36/952535236.db2.gz RWWUDLBTYBKNLN-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575207635 952534515 /nfs/dbraw/zinc/53/45/15/952534515.db2.gz RWWUDLBTYBKNLN-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575207635 952534511 /nfs/dbraw/zinc/53/45/11/952534511.db2.gz RWWUDLBTYBKNLN-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575207666 952534762 /nfs/dbraw/zinc/53/47/62/952534762.db2.gz SICCXBFBHHJXBZ-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575207666 952534756 /nfs/dbraw/zinc/53/47/56/952534756.db2.gz SICCXBFBHHJXBZ-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575207667 952534616 /nfs/dbraw/zinc/53/46/16/952534616.db2.gz SICCXBFBHHJXBZ-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575207667 952534611 /nfs/dbraw/zinc/53/46/11/952534611.db2.gz SICCXBFBHHJXBZ-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575207670 952534483 /nfs/dbraw/zinc/53/44/83/952534483.db2.gz SICCXBFBHHJXBZ-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575207670 952534481 /nfs/dbraw/zinc/53/44/81/952534481.db2.gz SICCXBFBHHJXBZ-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575207671 952534826 /nfs/dbraw/zinc/53/48/26/952534826.db2.gz SICCXBFBHHJXBZ-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575207671 952534818 /nfs/dbraw/zinc/53/48/18/952534818.db2.gz SICCXBFBHHJXBZ-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575207838 952535087 /nfs/dbraw/zinc/53/50/87/952535087.db2.gz TURJWWFRQMBHMW-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575207838 952535081 /nfs/dbraw/zinc/53/50/81/952535081.db2.gz TURJWWFRQMBHMW-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575207839 952534468 /nfs/dbraw/zinc/53/44/68/952534468.db2.gz TURJWWFRQMBHMW-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575207839 952534466 /nfs/dbraw/zinc/53/44/66/952534466.db2.gz TURJWWFRQMBHMW-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575207840 952534990 /nfs/dbraw/zinc/53/49/90/952534990.db2.gz TURJWWFRQMBHMW-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575207840 952534984 /nfs/dbraw/zinc/53/49/84/952534984.db2.gz TURJWWFRQMBHMW-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575207841 952535106 /nfs/dbraw/zinc/53/51/06/952535106.db2.gz TURJWWFRQMBHMW-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575207841 952535100 /nfs/dbraw/zinc/53/51/00/952535100.db2.gz TURJWWFRQMBHMW-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575207977 952536725 /nfs/dbraw/zinc/53/67/25/952536725.db2.gz XTMPLUJLABCCKP-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575207977 952536722 /nfs/dbraw/zinc/53/67/22/952536722.db2.gz XTMPLUJLABCCKP-CMPLNLGQSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575207978 952537194 /nfs/dbraw/zinc/53/71/94/952537194.db2.gz XTMPLUJLABCCKP-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575207978 952537189 /nfs/dbraw/zinc/53/71/89/952537189.db2.gz XTMPLUJLABCCKP-JQWIXIFHSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575207979 952537628 /nfs/dbraw/zinc/53/76/28/952537628.db2.gz XTMPLUJLABCCKP-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575207979 952537624 /nfs/dbraw/zinc/53/76/24/952537624.db2.gz XTMPLUJLABCCKP-PWSUYJOCSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575207980 952536661 /nfs/dbraw/zinc/53/66/61/952536661.db2.gz XTMPLUJLABCCKP-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575207980 952536657 /nfs/dbraw/zinc/53/66/57/952536657.db2.gz XTMPLUJLABCCKP-ZYHUDNBSSA-N -1 1 386.420 -0.842 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575207997 952537662 /nfs/dbraw/zinc/53/76/62/952537662.db2.gz YNLWZZYUAXXVOB-DRZSPHRISA-N -1 1 382.432 -0.250 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575207998 952537126 /nfs/dbraw/zinc/53/71/26/952537126.db2.gz YNLWZZYUAXXVOB-RAIGVLPGSA-N -1 1 382.432 -0.250 20 0 GBADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575207999 952537363 /nfs/dbraw/zinc/53/73/63/952537363.db2.gz YNLWZZYUAXXVOB-RTXFEEFZSA-N -1 1 382.432 -0.250 20 0 GBADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575208000 952537377 /nfs/dbraw/zinc/53/73/77/952537377.db2.gz YNLWZZYUAXXVOB-WCFLWFBJSA-N -1 1 382.432 -0.250 20 0 GBADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575214698 952566793 /nfs/dbraw/zinc/56/67/93/952566793.db2.gz OBKXVGHKKRQOOG-UHFFFAOYSA-N -1 1 384.391 -0.007 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)CC1 ZINC001575224715 948792173 /nfs/dbraw/zinc/79/21/73/948792173.db2.gz XMAWHOCRVIEJMY-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)CC1 ZINC001575224715 948792166 /nfs/dbraw/zinc/79/21/66/948792166.db2.gz XMAWHOCRVIEJMY-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)CC1 ZINC001575224716 948792033 /nfs/dbraw/zinc/79/20/33/948792033.db2.gz XMAWHOCRVIEJMY-ZJUUUORDSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)CC1 ZINC001575224716 948792018 /nfs/dbraw/zinc/79/20/18/948792018.db2.gz XMAWHOCRVIEJMY-ZJUUUORDSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)CC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575225869 948810721 /nfs/dbraw/zinc/81/07/21/948810721.db2.gz GKZZUOVHGATJIY-HNNXBMFYSA-N -1 1 382.375 -0.111 20 0 GBADMM CC(F)(F)CC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575225876 948811076 /nfs/dbraw/zinc/81/10/76/948811076.db2.gz GKZZUOVHGATJIY-OAHLLOKOSA-N -1 1 382.375 -0.111 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)CC1 ZINC001575225995 948812867 /nfs/dbraw/zinc/81/28/67/948812867.db2.gz IIHZMNGHJJJSNV-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)CC1 ZINC001575225995 948812848 /nfs/dbraw/zinc/81/28/48/948812848.db2.gz IIHZMNGHJJJSNV-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CC1 ZINC001575225999 948813419 /nfs/dbraw/zinc/81/34/19/948813419.db2.gz IIHZMNGHJJJSNV-ZJUUUORDSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CC1 ZINC001575225999 948813398 /nfs/dbraw/zinc/81/33/98/948813398.db2.gz IIHZMNGHJJJSNV-ZJUUUORDSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)CC(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575226527 948817483 /nfs/dbraw/zinc/81/74/83/948817483.db2.gz NEYTVWHLQQGGRX-UHFFFAOYSA-N -1 1 382.375 -0.111 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)CC1 ZINC001575226937 948820366 /nfs/dbraw/zinc/82/03/66/948820366.db2.gz PRJWYHSFJPQSLZ-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)CC1 ZINC001575226937 948820347 /nfs/dbraw/zinc/82/03/47/948820347.db2.gz PRJWYHSFJPQSLZ-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CC1 ZINC001575226943 948823453 /nfs/dbraw/zinc/82/34/53/948823453.db2.gz QDZQRDDPPSQWIY-BDAKNGLRSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CC1 ZINC001575226945 948823668 /nfs/dbraw/zinc/82/36/68/948823668.db2.gz QDZQRDDPPSQWIY-RKDXNWHRSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)CC1 ZINC001575227383 948828895 /nfs/dbraw/zinc/82/88/95/948828895.db2.gz VOOMVTBTRPFOTQ-BDAKNGLRSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)CC1 ZINC001575227383 948828875 /nfs/dbraw/zinc/82/88/75/948828875.db2.gz VOOMVTBTRPFOTQ-BDAKNGLRSA-N -1 1 380.359 -0.242 20 0 GBADMM CC(F)(F)CC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575229483 948844981 /nfs/dbraw/zinc/84/49/81/948844981.db2.gz JPVUSPBPDWMSDC-UHFFFAOYSA-N -1 1 381.391 -0.060 20 0 GBADMM CC(F)(F)CC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575229607 948851424 /nfs/dbraw/zinc/85/14/24/948851424.db2.gz NYTAFWZWSZLOAH-UHFFFAOYSA-N -1 1 381.391 -0.060 20 0 GBADMM CC(F)(F)CC(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575229762 948861436 /nfs/dbraw/zinc/86/14/36/948861436.db2.gz SHRAUWFRNKANON-UHFFFAOYSA-N -1 1 381.391 -0.060 20 0 GBADMM CC(F)(F)CC(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575229762 948861415 /nfs/dbraw/zinc/86/14/15/948861415.db2.gz SHRAUWFRNKANON-UHFFFAOYSA-N -1 1 381.391 -0.060 20 0 GBADMM CC(F)(F)CCS(=O)(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575243973 949008870 /nfs/dbraw/zinc/00/88/70/949008870.db2.gz SZNDFSGBJSCIIR-UHFFFAOYSA-N -1 1 379.349 -0.906 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575245467 949026386 /nfs/dbraw/zinc/02/63/86/949026386.db2.gz CFZHIWWFEWXZQP-GHMZBOCLSA-N -1 1 389.464 -0.112 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575245470 949026104 /nfs/dbraw/zinc/02/61/04/949026104.db2.gz CFZHIWWFEWXZQP-MNOVXSKESA-N -1 1 389.464 -0.112 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575245472 949023683 /nfs/dbraw/zinc/02/36/83/949023683.db2.gz CFZHIWWFEWXZQP-QWRGUYRKSA-N -1 1 389.464 -0.112 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575245473 949023121 /nfs/dbraw/zinc/02/31/21/949023121.db2.gz CFZHIWWFEWXZQP-WDEREUQCSA-N -1 1 389.464 -0.112 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575245497 949022637 /nfs/dbraw/zinc/02/26/37/949022637.db2.gz CLAWDBWDXBEHMM-GHMZBOCLSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575245497 949022618 /nfs/dbraw/zinc/02/26/18/949022618.db2.gz CLAWDBWDXBEHMM-GHMZBOCLSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575245499 949024104 /nfs/dbraw/zinc/02/41/04/949024104.db2.gz CLAWDBWDXBEHMM-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575245499 949024087 /nfs/dbraw/zinc/02/40/87/949024087.db2.gz CLAWDBWDXBEHMM-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575245500 949026223 /nfs/dbraw/zinc/02/62/23/949026223.db2.gz CLAWDBWDXBEHMM-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575245500 949026209 /nfs/dbraw/zinc/02/62/09/949026209.db2.gz CLAWDBWDXBEHMM-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575245503 949025021 /nfs/dbraw/zinc/02/50/21/949025021.db2.gz CLAWDBWDXBEHMM-WDEREUQCSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575245503 949024992 /nfs/dbraw/zinc/02/49/92/949024992.db2.gz CLAWDBWDXBEHMM-WDEREUQCSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575245508 949024051 /nfs/dbraw/zinc/02/40/51/949024051.db2.gz CMDAZXHXPHCVKA-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575245508 949024032 /nfs/dbraw/zinc/02/40/32/949024032.db2.gz CMDAZXHXPHCVKA-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575245509 949023266 /nfs/dbraw/zinc/02/32/66/949023266.db2.gz CMDAZXHXPHCVKA-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575245509 949023245 /nfs/dbraw/zinc/02/32/45/949023245.db2.gz CMDAZXHXPHCVKA-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575245847 949030923 /nfs/dbraw/zinc/03/09/23/949030923.db2.gz DGYAQNUZWZFZJZ-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575245847 949030906 /nfs/dbraw/zinc/03/09/06/949030906.db2.gz DGYAQNUZWZFZJZ-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575245849 949030819 /nfs/dbraw/zinc/03/08/19/949030819.db2.gz DGYAQNUZWZFZJZ-NSHDSACASA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575245849 949030797 /nfs/dbraw/zinc/03/07/97/949030797.db2.gz DGYAQNUZWZFZJZ-NSHDSACASA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575245935 949031936 /nfs/dbraw/zinc/03/19/36/949031936.db2.gz FUNGJMOPZOSRHM-JTQLQIEISA-N -1 1 387.448 -0.310 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575245937 949028988 /nfs/dbraw/zinc/02/89/88/949028988.db2.gz FUNGJMOPZOSRHM-SNVBAGLBSA-N -1 1 387.448 -0.310 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575246341 949035993 /nfs/dbraw/zinc/03/59/93/949035993.db2.gz GDFPRYPUHSBFCO-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575246345 949035194 /nfs/dbraw/zinc/03/51/94/949035194.db2.gz GDFPRYPUHSBFCO-NSHDSACASA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575246347 949037259 /nfs/dbraw/zinc/03/72/59/949037259.db2.gz GDRCHAACEPBBDV-GHMZBOCLSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575246351 949036043 /nfs/dbraw/zinc/03/60/43/949036043.db2.gz GDRCHAACEPBBDV-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575246354 949033172 /nfs/dbraw/zinc/03/31/72/949033172.db2.gz GDRCHAACEPBBDV-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575246357 949035321 /nfs/dbraw/zinc/03/53/21/949035321.db2.gz GDRCHAACEPBBDV-WDEREUQCSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575247564 949048232 /nfs/dbraw/zinc/04/82/32/949048232.db2.gz JQHMDBCDMCIOHC-GHMZBOCLSA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575247566 949051656 /nfs/dbraw/zinc/05/16/56/949051656.db2.gz JQHMDBCDMCIOHC-MNOVXSKESA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575247569 949047846 /nfs/dbraw/zinc/04/78/46/949047846.db2.gz JQHMDBCDMCIOHC-QWRGUYRKSA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575247571 949048488 /nfs/dbraw/zinc/04/84/88/949048488.db2.gz JQHMDBCDMCIOHC-WDEREUQCSA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575247589 949048040 /nfs/dbraw/zinc/04/80/40/949048040.db2.gz KBWAEDOWOPUNGP-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575247589 949048023 /nfs/dbraw/zinc/04/80/23/949048023.db2.gz KBWAEDOWOPUNGP-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575247590 949047981 /nfs/dbraw/zinc/04/79/81/949047981.db2.gz KBWAEDOWOPUNGP-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575247590 949047961 /nfs/dbraw/zinc/04/79/61/949047961.db2.gz KBWAEDOWOPUNGP-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575247879 949056835 /nfs/dbraw/zinc/05/68/35/949056835.db2.gz LDVCDWPUKIQEJO-GHMZBOCLSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575247879 949056819 /nfs/dbraw/zinc/05/68/19/949056819.db2.gz LDVCDWPUKIQEJO-GHMZBOCLSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575247880 949055032 /nfs/dbraw/zinc/05/50/32/949055032.db2.gz LDVCDWPUKIQEJO-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575247880 949055016 /nfs/dbraw/zinc/05/50/16/949055016.db2.gz LDVCDWPUKIQEJO-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575247881 949056225 /nfs/dbraw/zinc/05/62/25/949056225.db2.gz LDVCDWPUKIQEJO-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575247881 949056205 /nfs/dbraw/zinc/05/62/05/949056205.db2.gz LDVCDWPUKIQEJO-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575247882 949052705 /nfs/dbraw/zinc/05/27/05/949052705.db2.gz LDVCDWPUKIQEJO-WDEREUQCSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575247882 949052691 /nfs/dbraw/zinc/05/26/91/949052691.db2.gz LDVCDWPUKIQEJO-WDEREUQCSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575247942 949055168 /nfs/dbraw/zinc/05/51/68/949055168.db2.gz LVVJVEMKHFYAFH-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575247942 949055152 /nfs/dbraw/zinc/05/51/52/949055152.db2.gz LVVJVEMKHFYAFH-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575247943 949056431 /nfs/dbraw/zinc/05/64/31/949056431.db2.gz LVVJVEMKHFYAFH-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575247943 949056411 /nfs/dbraw/zinc/05/64/11/949056411.db2.gz LVVJVEMKHFYAFH-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575248180 949067042 /nfs/dbraw/zinc/06/70/42/949067042.db2.gz PFCFGLLHCCZTKL-GHMZBOCLSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575248180 949067022 /nfs/dbraw/zinc/06/70/22/949067022.db2.gz PFCFGLLHCCZTKL-GHMZBOCLSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575248181 949064158 /nfs/dbraw/zinc/06/41/58/949064158.db2.gz PFCFGLLHCCZTKL-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575248181 949064135 /nfs/dbraw/zinc/06/41/35/949064135.db2.gz PFCFGLLHCCZTKL-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575248182 949066619 /nfs/dbraw/zinc/06/66/19/949066619.db2.gz PFCFGLLHCCZTKL-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575248182 949066601 /nfs/dbraw/zinc/06/66/01/949066601.db2.gz PFCFGLLHCCZTKL-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575248183 949062992 /nfs/dbraw/zinc/06/29/92/949062992.db2.gz PFCFGLLHCCZTKL-WDEREUQCSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575248183 949062976 /nfs/dbraw/zinc/06/29/76/949062976.db2.gz PFCFGLLHCCZTKL-WDEREUQCSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575248279 949067244 /nfs/dbraw/zinc/06/72/44/949067244.db2.gz QIPJSVLJYOISEM-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575248279 949067230 /nfs/dbraw/zinc/06/72/30/949067230.db2.gz QIPJSVLJYOISEM-LLVKDONJSA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575248281 949069361 /nfs/dbraw/zinc/06/93/61/949069361.db2.gz QIPJSVLJYOISEM-NSHDSACASA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575248281 949069341 /nfs/dbraw/zinc/06/93/41/949069341.db2.gz QIPJSVLJYOISEM-NSHDSACASA-N -1 1 387.448 -0.144 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575248317 949070069 /nfs/dbraw/zinc/07/00/69/949070069.db2.gz QVLABUDUCVLYAI-JTQLQIEISA-N -1 1 375.437 -0.500 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575248318 949067529 /nfs/dbraw/zinc/06/75/29/949067529.db2.gz QVLABUDUCVLYAI-SNVBAGLBSA-N -1 1 375.437 -0.500 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575249230 949093339 /nfs/dbraw/zinc/09/33/39/949093339.db2.gz YAURNNNPPDSQHA-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575249230 949093328 /nfs/dbraw/zinc/09/33/28/949093328.db2.gz YAURNNNPPDSQHA-JTQLQIEISA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575249231 949095349 /nfs/dbraw/zinc/09/53/49/949095349.db2.gz YAURNNNPPDSQHA-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575249231 949095331 /nfs/dbraw/zinc/09/53/31/949095331.db2.gz YAURNNNPPDSQHA-SNVBAGLBSA-N -1 1 375.437 -0.240 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575249640 949102701 /nfs/dbraw/zinc/10/27/01/949102701.db2.gz ZPQACNFKAZVCTN-NXEZZACHSA-N -1 1 375.437 -0.454 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249641 949102586 /nfs/dbraw/zinc/10/25/86/949102586.db2.gz ZPQACNFKAZVCTN-UWVGGRQHSA-N -1 1 375.437 -0.454 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575249642 949102562 /nfs/dbraw/zinc/10/25/62/949102562.db2.gz ZPQACNFKAZVCTN-VHSXEESVSA-N -1 1 375.437 -0.454 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249644 949103652 /nfs/dbraw/zinc/10/36/52/949103652.db2.gz ZPQACNFKAZVCTN-ZJUUUORDSA-N -1 1 375.437 -0.454 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575250724 949117412 /nfs/dbraw/zinc/11/74/12/949117412.db2.gz GYJVTEVMPLUUBV-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575250724 949117402 /nfs/dbraw/zinc/11/74/02/949117402.db2.gz GYJVTEVMPLUUBV-MNOVXSKESA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575250725 949117710 /nfs/dbraw/zinc/11/77/10/949117710.db2.gz GYJVTEVMPLUUBV-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575250725 949117699 /nfs/dbraw/zinc/11/76/99/949117699.db2.gz GYJVTEVMPLUUBV-QWRGUYRKSA-N -1 1 387.448 -0.098 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575251025 949127198 /nfs/dbraw/zinc/12/71/98/949127198.db2.gz KCJFENMQNKSZJE-DCAQKATOSA-N -1 1 387.448 -0.312 20 0 GBADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575251026 949124499 /nfs/dbraw/zinc/12/44/99/949124499.db2.gz KCJFENMQNKSZJE-GARJFASQSA-N -1 1 387.448 -0.312 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575251027 949126512 /nfs/dbraw/zinc/12/65/12/949126512.db2.gz KCJFENMQNKSZJE-GMTAPVOTSA-N -1 1 387.448 -0.312 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575251028 949125329 /nfs/dbraw/zinc/12/53/29/949125329.db2.gz KCJFENMQNKSZJE-MXWKQRLJSA-N -1 1 387.448 -0.312 20 0 GBADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575251039 949125656 /nfs/dbraw/zinc/12/56/56/949125656.db2.gz KIQOQLYYPASMLI-BDAKNGLRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575251039 949125640 /nfs/dbraw/zinc/12/56/40/949125640.db2.gz KIQOQLYYPASMLI-BDAKNGLRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575251040 949126774 /nfs/dbraw/zinc/12/67/74/949126774.db2.gz KIQOQLYYPASMLI-DTWKUNHWSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575251040 949126759 /nfs/dbraw/zinc/12/67/59/949126759.db2.gz KIQOQLYYPASMLI-DTWKUNHWSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575251041 949126127 /nfs/dbraw/zinc/12/61/27/949126127.db2.gz KIQOQLYYPASMLI-IUCAKERBSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575251041 949126116 /nfs/dbraw/zinc/12/61/16/949126116.db2.gz KIQOQLYYPASMLI-IUCAKERBSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575251042 949126247 /nfs/dbraw/zinc/12/62/47/949126247.db2.gz KIQOQLYYPASMLI-RKDXNWHRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575251042 949126233 /nfs/dbraw/zinc/12/62/33/949126233.db2.gz KIQOQLYYPASMLI-RKDXNWHRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575251103 949131188 /nfs/dbraw/zinc/13/11/88/949131188.db2.gz LDGNFOSKVYHSDJ-BDAKNGLRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575251103 949131171 /nfs/dbraw/zinc/13/11/71/949131171.db2.gz LDGNFOSKVYHSDJ-BDAKNGLRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251104 949129447 /nfs/dbraw/zinc/12/94/47/949129447.db2.gz LDGNFOSKVYHSDJ-DTWKUNHWSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251104 949129432 /nfs/dbraw/zinc/12/94/32/949129432.db2.gz LDGNFOSKVYHSDJ-DTWKUNHWSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251105 949130020 /nfs/dbraw/zinc/13/00/20/949130020.db2.gz LDGNFOSKVYHSDJ-IUCAKERBSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251105 949130005 /nfs/dbraw/zinc/13/00/05/949130005.db2.gz LDGNFOSKVYHSDJ-IUCAKERBSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251106 949131535 /nfs/dbraw/zinc/13/15/35/949131535.db2.gz LDGNFOSKVYHSDJ-RKDXNWHRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251106 949131515 /nfs/dbraw/zinc/13/15/15/949131515.db2.gz LDGNFOSKVYHSDJ-RKDXNWHRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575253040 949180186 /nfs/dbraw/zinc/18/01/86/949180186.db2.gz RYQDVRNNOSJHSW-BDAKNGLRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575253040 949180174 /nfs/dbraw/zinc/18/01/74/949180174.db2.gz RYQDVRNNOSJHSW-BDAKNGLRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575253041 949178810 /nfs/dbraw/zinc/17/88/10/949178810.db2.gz RYQDVRNNOSJHSW-DTWKUNHWSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575253041 949178797 /nfs/dbraw/zinc/17/87/97/949178797.db2.gz RYQDVRNNOSJHSW-DTWKUNHWSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575253042 949179144 /nfs/dbraw/zinc/17/91/44/949179144.db2.gz RYQDVRNNOSJHSW-IUCAKERBSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575253042 949179132 /nfs/dbraw/zinc/17/91/32/949179132.db2.gz RYQDVRNNOSJHSW-IUCAKERBSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575253043 949180327 /nfs/dbraw/zinc/18/03/27/949180327.db2.gz RYQDVRNNOSJHSW-RKDXNWHRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575253043 949180313 /nfs/dbraw/zinc/18/03/13/949180313.db2.gz RYQDVRNNOSJHSW-RKDXNWHRSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575253432 949185111 /nfs/dbraw/zinc/18/51/11/949185111.db2.gz UBIQNQFGZXGTIS-NEPJUHHUSA-N -1 1 389.464 -0.506 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253434 949185784 /nfs/dbraw/zinc/18/57/84/949185784.db2.gz UBIQNQFGZXGTIS-NWDGAFQWSA-N -1 1 389.464 -0.506 20 0 GBADMM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253436 949186758 /nfs/dbraw/zinc/18/67/58/949186758.db2.gz UBIQNQFGZXGTIS-RYUDHWBXSA-N -1 1 389.464 -0.506 20 0 GBADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253438 949185728 /nfs/dbraw/zinc/18/57/28/949185728.db2.gz UBIQNQFGZXGTIS-VXGBXAGGSA-N -1 1 389.464 -0.506 20 0 GBADMM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575258430 949296432 /nfs/dbraw/zinc/29/64/32/949296432.db2.gz HHXJNSYTVUOPIS-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575258430 949296408 /nfs/dbraw/zinc/29/64/08/949296408.db2.gz HHXJNSYTVUOPIS-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575258431 949299091 /nfs/dbraw/zinc/29/90/91/949299091.db2.gz HHXJNSYTVUOPIS-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575258431 949299065 /nfs/dbraw/zinc/29/90/65/949299065.db2.gz HHXJNSYTVUOPIS-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575258488 949302674 /nfs/dbraw/zinc/30/26/74/949302674.db2.gz IAJOUHJAPUSYOM-LLVKDONJSA-N -1 1 387.448 -0.356 20 0 GBADMM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575258489 949301033 /nfs/dbraw/zinc/30/10/33/949301033.db2.gz IAJOUHJAPUSYOM-NSHDSACASA-N -1 1 387.448 -0.356 20 0 GBADMM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575259939 949343413 /nfs/dbraw/zinc/34/34/13/949343413.db2.gz SWHKSUNQTDHMDP-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575259939 949343395 /nfs/dbraw/zinc/34/33/95/949343395.db2.gz SWHKSUNQTDHMDP-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575259940 949343173 /nfs/dbraw/zinc/34/31/73/949343173.db2.gz SWHKSUNQTDHMDP-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575259940 949343152 /nfs/dbraw/zinc/34/31/52/949343152.db2.gz SWHKSUNQTDHMDP-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575260602 949357635 /nfs/dbraw/zinc/35/76/35/949357635.db2.gz WIIPWGYHYIDJFB-GHMZBOCLSA-N -1 1 387.448 -0.310 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260604 949359807 /nfs/dbraw/zinc/35/98/07/949359807.db2.gz WIIPWGYHYIDJFB-MNOVXSKESA-N -1 1 387.448 -0.310 20 0 GBADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260606 949359278 /nfs/dbraw/zinc/35/92/78/949359278.db2.gz WIIPWGYHYIDJFB-QWRGUYRKSA-N -1 1 387.448 -0.310 20 0 GBADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575260611 949356512 /nfs/dbraw/zinc/35/65/12/949356512.db2.gz WIIPWGYHYIDJFB-WDEREUQCSA-N -1 1 387.448 -0.310 20 0 GBADMM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575261021 949374002 /nfs/dbraw/zinc/37/40/02/949374002.db2.gz ZOOOPSGPULUNLM-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575261021 949373976 /nfs/dbraw/zinc/37/39/76/949373976.db2.gz ZOOOPSGPULUNLM-LLVKDONJSA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575261022 949375679 /nfs/dbraw/zinc/37/56/79/949375679.db2.gz ZOOOPSGPULUNLM-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575261022 949375664 /nfs/dbraw/zinc/37/56/64/949375664.db2.gz ZOOOPSGPULUNLM-NSHDSACASA-N -1 1 387.448 -0.096 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575264533 949426060 /nfs/dbraw/zinc/42/60/60/949426060.db2.gz OJXAZIRRDFTDFL-GHMZBOCLSA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575264534 949423699 /nfs/dbraw/zinc/42/36/99/949423699.db2.gz OJXAZIRRDFTDFL-MNOVXSKESA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575264609 949429157 /nfs/dbraw/zinc/42/91/57/949429157.db2.gz PHKIGWBMIYYZSV-SECBINFHSA-N -1 1 392.420 -0.814 20 0 GBADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575264610 949427738 /nfs/dbraw/zinc/42/77/38/949427738.db2.gz PHKIGWBMIYYZSV-VIFPVBQESA-N -1 1 392.420 -0.814 20 0 GBADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575265261 949445247 /nfs/dbraw/zinc/44/52/47/949445247.db2.gz SSCOLTUPYBLQDR-LLVKDONJSA-N -1 1 389.464 -0.110 20 0 GBADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575265262 949443429 /nfs/dbraw/zinc/44/34/29/949443429.db2.gz SSCOLTUPYBLQDR-NSHDSACASA-N -1 1 389.464 -0.110 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575268934 949533326 /nfs/dbraw/zinc/53/33/26/949533326.db2.gz PSYHLOHDSWASIP-BDAKNGLRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575268934 949533307 /nfs/dbraw/zinc/53/33/07/949533307.db2.gz PSYHLOHDSWASIP-BDAKNGLRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575268935 949530929 /nfs/dbraw/zinc/53/09/29/949530929.db2.gz PSYHLOHDSWASIP-DTWKUNHWSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575268935 949530914 /nfs/dbraw/zinc/53/09/14/949530914.db2.gz PSYHLOHDSWASIP-DTWKUNHWSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575268936 949533645 /nfs/dbraw/zinc/53/36/45/949533645.db2.gz PSYHLOHDSWASIP-IUCAKERBSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575268936 949533625 /nfs/dbraw/zinc/53/36/25/949533625.db2.gz PSYHLOHDSWASIP-IUCAKERBSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575268937 949530577 /nfs/dbraw/zinc/53/05/77/949530577.db2.gz PSYHLOHDSWASIP-RKDXNWHRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575268937 949530559 /nfs/dbraw/zinc/53/05/59/949530559.db2.gz PSYHLOHDSWASIP-RKDXNWHRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575269461 949550188 /nfs/dbraw/zinc/55/01/88/949550188.db2.gz VDBAGJCKRROURQ-BDAKNGLRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575269461 949550171 /nfs/dbraw/zinc/55/01/71/949550171.db2.gz VDBAGJCKRROURQ-BDAKNGLRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575269462 949552127 /nfs/dbraw/zinc/55/21/27/949552127.db2.gz VDBAGJCKRROURQ-DTWKUNHWSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575269462 949552115 /nfs/dbraw/zinc/55/21/15/949552115.db2.gz VDBAGJCKRROURQ-DTWKUNHWSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575269463 949551250 /nfs/dbraw/zinc/55/12/50/949551250.db2.gz VDBAGJCKRROURQ-IUCAKERBSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575269463 949551234 /nfs/dbraw/zinc/55/12/34/949551234.db2.gz VDBAGJCKRROURQ-IUCAKERBSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575269464 949550525 /nfs/dbraw/zinc/55/05/25/949550525.db2.gz VDBAGJCKRROURQ-RKDXNWHRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575269464 949550506 /nfs/dbraw/zinc/55/05/06/949550506.db2.gz VDBAGJCKRROURQ-RKDXNWHRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575270455 949591979 /nfs/dbraw/zinc/59/19/79/949591979.db2.gz ZUBNSRLTVSQCSN-BDAKNGLRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575270455 949591959 /nfs/dbraw/zinc/59/19/59/949591959.db2.gz ZUBNSRLTVSQCSN-BDAKNGLRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270456 949593324 /nfs/dbraw/zinc/59/33/24/949593324.db2.gz ZUBNSRLTVSQCSN-DTWKUNHWSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270456 949593312 /nfs/dbraw/zinc/59/33/12/949593312.db2.gz ZUBNSRLTVSQCSN-DTWKUNHWSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270457 949590719 /nfs/dbraw/zinc/59/07/19/949590719.db2.gz ZUBNSRLTVSQCSN-IUCAKERBSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270457 949590701 /nfs/dbraw/zinc/59/07/01/949590701.db2.gz ZUBNSRLTVSQCSN-IUCAKERBSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270458 949591795 /nfs/dbraw/zinc/59/17/95/949591795.db2.gz ZUBNSRLTVSQCSN-RKDXNWHRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270458 949591778 /nfs/dbraw/zinc/59/17/78/949591778.db2.gz ZUBNSRLTVSQCSN-RKDXNWHRSA-N -1 1 380.434 -0.604 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575270719 949599757 /nfs/dbraw/zinc/59/97/57/949599757.db2.gz FNPRPFKPMQAWJG-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575270719 949599748 /nfs/dbraw/zinc/59/97/48/949599748.db2.gz FNPRPFKPMQAWJG-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575270720 949602410 /nfs/dbraw/zinc/60/24/10/949602410.db2.gz FNPRPFKPMQAWJG-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575270720 949602399 /nfs/dbraw/zinc/60/23/99/949602399.db2.gz FNPRPFKPMQAWJG-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575270721 949601002 /nfs/dbraw/zinc/60/10/02/949601002.db2.gz FNPRPFKPMQAWJG-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575270721 949600982 /nfs/dbraw/zinc/60/09/82/949600982.db2.gz FNPRPFKPMQAWJG-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575270722 949600398 /nfs/dbraw/zinc/60/03/98/949600398.db2.gz FNPRPFKPMQAWJG-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575270722 949600378 /nfs/dbraw/zinc/60/03/78/949600378.db2.gz FNPRPFKPMQAWJG-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575270858 949601045 /nfs/dbraw/zinc/60/10/45/949601045.db2.gz GJMPCUGIAOQFLX-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575270859 949599328 /nfs/dbraw/zinc/59/93/28/949599328.db2.gz GJMPCUGIAOQFLX-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575270860 949602063 /nfs/dbraw/zinc/60/20/63/949602063.db2.gz GJMPCUGIAOQFLX-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575270861 949602286 /nfs/dbraw/zinc/60/22/86/949602286.db2.gz GJMPCUGIAOQFLX-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270908 949604161 /nfs/dbraw/zinc/60/41/61/949604161.db2.gz HCFFJOYPHYIZHY-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270908 949604144 /nfs/dbraw/zinc/60/41/44/949604144.db2.gz HCFFJOYPHYIZHY-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270909 949605660 /nfs/dbraw/zinc/60/56/60/949605660.db2.gz HCFFJOYPHYIZHY-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270909 949605643 /nfs/dbraw/zinc/60/56/43/949605643.db2.gz HCFFJOYPHYIZHY-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270910 949603779 /nfs/dbraw/zinc/60/37/79/949603779.db2.gz HCFFJOYPHYIZHY-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270910 949603763 /nfs/dbraw/zinc/60/37/63/949603763.db2.gz HCFFJOYPHYIZHY-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270911 949607014 /nfs/dbraw/zinc/60/70/14/949607014.db2.gz HCFFJOYPHYIZHY-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270911 949607002 /nfs/dbraw/zinc/60/70/02/949607002.db2.gz HCFFJOYPHYIZHY-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271640 949623721 /nfs/dbraw/zinc/62/37/21/949623721.db2.gz LLYZBEYEXWCLJN-NXEZZACHSA-N -1 1 382.450 -0.792 20 0 GBADMM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271641 949624818 /nfs/dbraw/zinc/62/48/18/949624818.db2.gz LLYZBEYEXWCLJN-UWVGGRQHSA-N -1 1 382.450 -0.792 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271642 949625272 /nfs/dbraw/zinc/62/52/72/949625272.db2.gz LLYZBEYEXWCLJN-VHSXEESVSA-N -1 1 382.450 -0.792 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575271643 949622913 /nfs/dbraw/zinc/62/29/13/949622913.db2.gz LLYZBEYEXWCLJN-ZJUUUORDSA-N -1 1 382.450 -0.792 20 0 GBADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575272056 949634719 /nfs/dbraw/zinc/63/47/19/949634719.db2.gz NAILDYPNYPMZMN-GHMZBOCLSA-N -1 1 375.437 -0.358 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575272058 949631508 /nfs/dbraw/zinc/63/15/08/949631508.db2.gz NAILDYPNYPMZMN-MNOVXSKESA-N -1 1 375.437 -0.358 20 0 GBADMM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575272060 949631561 /nfs/dbraw/zinc/63/15/61/949631561.db2.gz NAILDYPNYPMZMN-QWRGUYRKSA-N -1 1 375.437 -0.358 20 0 GBADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575272062 949634756 /nfs/dbraw/zinc/63/47/56/949634756.db2.gz NAILDYPNYPMZMN-WDEREUQCSA-N -1 1 375.437 -0.358 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575272366 949643017 /nfs/dbraw/zinc/64/30/17/949643017.db2.gz PRMXUZWGUDUDLI-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575272366 949643003 /nfs/dbraw/zinc/64/30/03/949643003.db2.gz PRMXUZWGUDUDLI-GHMZBOCLSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575272368 949640367 /nfs/dbraw/zinc/64/03/67/949640367.db2.gz PRMXUZWGUDUDLI-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575272368 949640354 /nfs/dbraw/zinc/64/03/54/949640354.db2.gz PRMXUZWGUDUDLI-MNOVXSKESA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575272370 949640988 /nfs/dbraw/zinc/64/09/88/949640988.db2.gz PRMXUZWGUDUDLI-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575272370 949640968 /nfs/dbraw/zinc/64/09/68/949640968.db2.gz PRMXUZWGUDUDLI-QWRGUYRKSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575272372 949641771 /nfs/dbraw/zinc/64/17/71/949641771.db2.gz PRMXUZWGUDUDLI-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575272372 949641756 /nfs/dbraw/zinc/64/17/56/949641756.db2.gz PRMXUZWGUDUDLI-WDEREUQCSA-N -1 1 388.436 -0.564 20 0 GBADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575273004 949654194 /nfs/dbraw/zinc/65/41/94/949654194.db2.gz ULYBCTOPIGVPQA-GHMZBOCLSA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575273005 949654009 /nfs/dbraw/zinc/65/40/09/949654009.db2.gz ULYBCTOPIGVPQA-MNOVXSKESA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575273006 949656655 /nfs/dbraw/zinc/65/66/55/949656655.db2.gz ULYBCTOPIGVPQA-QWRGUYRKSA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575273007 949656504 /nfs/dbraw/zinc/65/65/04/949656504.db2.gz ULYBCTOPIGVPQA-WDEREUQCSA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273555 949663581 /nfs/dbraw/zinc/66/35/81/949663581.db2.gz WJVKETJWSGXFCV-NXEZZACHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273555 949663569 /nfs/dbraw/zinc/66/35/69/949663569.db2.gz WJVKETJWSGXFCV-NXEZZACHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273556 949662801 /nfs/dbraw/zinc/66/28/01/949662801.db2.gz WJVKETJWSGXFCV-UWVGGRQHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273556 949662786 /nfs/dbraw/zinc/66/27/86/949662786.db2.gz WJVKETJWSGXFCV-UWVGGRQHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273557 949663129 /nfs/dbraw/zinc/66/31/29/949663129.db2.gz WJVKETJWSGXFCV-VHSXEESVSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273557 949663119 /nfs/dbraw/zinc/66/31/19/949663119.db2.gz WJVKETJWSGXFCV-VHSXEESVSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575273558 949663677 /nfs/dbraw/zinc/66/36/77/949663677.db2.gz WJVKETJWSGXFCV-ZJUUUORDSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575273558 949663657 /nfs/dbraw/zinc/66/36/57/949663657.db2.gz WJVKETJWSGXFCV-ZJUUUORDSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575273587 949667738 /nfs/dbraw/zinc/66/77/38/949667738.db2.gz WZFSDALZHVDEBR-NXEZZACHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575273587 949667729 /nfs/dbraw/zinc/66/77/29/949667729.db2.gz WZFSDALZHVDEBR-NXEZZACHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575273588 949669551 /nfs/dbraw/zinc/66/95/51/949669551.db2.gz WZFSDALZHVDEBR-UWVGGRQHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575273588 949669537 /nfs/dbraw/zinc/66/95/37/949669537.db2.gz WZFSDALZHVDEBR-UWVGGRQHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575273589 949670109 /nfs/dbraw/zinc/67/01/09/949670109.db2.gz WZFSDALZHVDEBR-VHSXEESVSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575273589 949670095 /nfs/dbraw/zinc/67/00/95/949670095.db2.gz WZFSDALZHVDEBR-VHSXEESVSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575273590 949668273 /nfs/dbraw/zinc/66/82/73/949668273.db2.gz WZFSDALZHVDEBR-ZJUUUORDSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575273590 949668260 /nfs/dbraw/zinc/66/82/60/949668260.db2.gz WZFSDALZHVDEBR-ZJUUUORDSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273759 949671788 /nfs/dbraw/zinc/67/17/88/949671788.db2.gz XXPJNPJLPTXECV-NXEZZACHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273759 949671774 /nfs/dbraw/zinc/67/17/74/949671774.db2.gz XXPJNPJLPTXECV-NXEZZACHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273760 949671938 /nfs/dbraw/zinc/67/19/38/949671938.db2.gz XXPJNPJLPTXECV-UWVGGRQHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273760 949671933 /nfs/dbraw/zinc/67/19/33/949671933.db2.gz XXPJNPJLPTXECV-UWVGGRQHSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273761 949672574 /nfs/dbraw/zinc/67/25/74/949672574.db2.gz XXPJNPJLPTXECV-VHSXEESVSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273761 949672559 /nfs/dbraw/zinc/67/25/59/949672559.db2.gz XXPJNPJLPTXECV-VHSXEESVSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575273762 949673055 /nfs/dbraw/zinc/67/30/55/949673055.db2.gz XXPJNPJLPTXECV-ZJUUUORDSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575273762 949673045 /nfs/dbraw/zinc/67/30/45/949673045.db2.gz XXPJNPJLPTXECV-ZJUUUORDSA-N -1 1 382.450 -0.213 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCOC1CCOCC1 ZINC001575274934 949693626 /nfs/dbraw/zinc/69/36/26/949693626.db2.gz BAGSXFGLYGEZNO-NEPJUHHUSA-N -1 1 390.448 -0.031 20 0 GBADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575274936 949693140 /nfs/dbraw/zinc/69/31/40/949693140.db2.gz BAGSXFGLYGEZNO-NWDGAFQWSA-N -1 1 390.448 -0.031 20 0 GBADMM C[C@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575274938 949691402 /nfs/dbraw/zinc/69/14/02/949691402.db2.gz BAGSXFGLYGEZNO-RYUDHWBXSA-N -1 1 390.448 -0.031 20 0 GBADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575274940 949693672 /nfs/dbraw/zinc/69/36/72/949693672.db2.gz BAGSXFGLYGEZNO-VXGBXAGGSA-N -1 1 390.448 -0.031 20 0 GBADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H](O)Cc1ccccc1 ZINC001575277055 949739209 /nfs/dbraw/zinc/73/92/09/949739209.db2.gz NFQMDXGQKCUAMK-BXUZGUMPSA-N -1 1 399.411 -0.373 20 0 GBADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](O)Cc1ccccc1 ZINC001575277056 949739170 /nfs/dbraw/zinc/73/91/70/949739170.db2.gz NFQMDXGQKCUAMK-FZMZJTMJSA-N -1 1 399.411 -0.373 20 0 GBADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](O)Cc1ccccc1 ZINC001575277057 949739456 /nfs/dbraw/zinc/73/94/56/949739456.db2.gz NFQMDXGQKCUAMK-RISCZKNCSA-N -1 1 399.411 -0.373 20 0 GBADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H](O)Cc1ccccc1 ZINC001575277059 949739497 /nfs/dbraw/zinc/73/94/97/949739497.db2.gz NFQMDXGQKCUAMK-SMDDNHRTSA-N -1 1 399.411 -0.373 20 0 GBADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H](O)c1ccccc1 ZINC001575277600 949753442 /nfs/dbraw/zinc/75/34/42/949753442.db2.gz RBQKQMFAUZHXTN-HZMBPMFUSA-N -1 1 385.384 -0.243 20 0 GBADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](O)c1ccccc1 ZINC001575277602 949755883 /nfs/dbraw/zinc/75/58/83/949755883.db2.gz RBQKQMFAUZHXTN-IINYFYTJSA-N -1 1 385.384 -0.243 20 0 GBADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](O)c1ccccc1 ZINC001575277604 949756436 /nfs/dbraw/zinc/75/64/36/949756436.db2.gz RBQKQMFAUZHXTN-QMTHXVAHSA-N -1 1 385.384 -0.243 20 0 GBADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H](O)c1ccccc1 ZINC001575277605 949754165 /nfs/dbraw/zinc/75/41/65/949754165.db2.gz RBQKQMFAUZHXTN-YGRLFVJLSA-N -1 1 385.384 -0.243 20 0 GBADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@](C)(O)c1ccccc1 ZINC001575279477 949779578 /nfs/dbraw/zinc/77/95/78/949779578.db2.gz YFPAUMZHEZFSLM-ADLMAVQZSA-N -1 1 399.411 -0.069 20 0 GBADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@](C)(O)c1ccccc1 ZINC001575279478 949776750 /nfs/dbraw/zinc/77/67/50/949776750.db2.gz YFPAUMZHEZFSLM-BBATYDOGSA-N -1 1 399.411 -0.069 20 0 GBADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@](C)(O)c1ccccc1 ZINC001575279479 949780495 /nfs/dbraw/zinc/78/04/95/949780495.db2.gz YFPAUMZHEZFSLM-VOJFVSQTSA-N -1 1 399.411 -0.069 20 0 GBADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@](C)(O)c1ccccc1 ZINC001575279480 949778073 /nfs/dbraw/zinc/77/80/73/949778073.db2.gz YFPAUMZHEZFSLM-ZMZPIMSZSA-N -1 1 399.411 -0.069 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575280863 949794445 /nfs/dbraw/zinc/79/44/45/949794445.db2.gz AUWBNHVUAZDLPT-GHMZBOCLSA-N -1 1 386.420 -0.666 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575280864 949793407 /nfs/dbraw/zinc/79/34/07/949793407.db2.gz AUWBNHVUAZDLPT-MNOVXSKESA-N -1 1 386.420 -0.666 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575280865 949791113 /nfs/dbraw/zinc/79/11/13/949791113.db2.gz AUWBNHVUAZDLPT-QWRGUYRKSA-N -1 1 386.420 -0.666 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575280866 949792921 /nfs/dbraw/zinc/79/29/21/949792921.db2.gz AUWBNHVUAZDLPT-WDEREUQCSA-N -1 1 386.420 -0.666 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281013 949796169 /nfs/dbraw/zinc/79/61/69/949796169.db2.gz BPGYZVNIQIPHBO-NXEZZACHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281013 949796153 /nfs/dbraw/zinc/79/61/53/949796153.db2.gz BPGYZVNIQIPHBO-NXEZZACHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281014 949798470 /nfs/dbraw/zinc/79/84/70/949798470.db2.gz BPGYZVNIQIPHBO-UWVGGRQHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281014 949798459 /nfs/dbraw/zinc/79/84/59/949798459.db2.gz BPGYZVNIQIPHBO-UWVGGRQHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281015 949797705 /nfs/dbraw/zinc/79/77/05/949797705.db2.gz BPGYZVNIQIPHBO-VHSXEESVSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281015 949797685 /nfs/dbraw/zinc/79/76/85/949797685.db2.gz BPGYZVNIQIPHBO-VHSXEESVSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575281016 949796282 /nfs/dbraw/zinc/79/62/82/949796282.db2.gz BPGYZVNIQIPHBO-ZJUUUORDSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575281016 949796265 /nfs/dbraw/zinc/79/62/65/949796265.db2.gz BPGYZVNIQIPHBO-ZJUUUORDSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281049 949798168 /nfs/dbraw/zinc/79/81/68/949798168.db2.gz CEESGBQMWLWDMF-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281049 949798135 /nfs/dbraw/zinc/79/81/35/949798135.db2.gz CEESGBQMWLWDMF-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575281050 949797375 /nfs/dbraw/zinc/79/73/75/949797375.db2.gz CEESGBQMWLWDMF-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575281050 949797352 /nfs/dbraw/zinc/79/73/52/949797352.db2.gz CEESGBQMWLWDMF-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281051 949799351 /nfs/dbraw/zinc/79/93/51/949799351.db2.gz CEESGBQMWLWDMF-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281051 949799335 /nfs/dbraw/zinc/79/93/35/949799335.db2.gz CEESGBQMWLWDMF-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281052 949798427 /nfs/dbraw/zinc/79/84/27/949798427.db2.gz CEESGBQMWLWDMF-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281052 949798416 /nfs/dbraw/zinc/79/84/16/949798416.db2.gz CEESGBQMWLWDMF-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281164 949801210 /nfs/dbraw/zinc/80/12/10/949801210.db2.gz DKYWAILYYOAJCX-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281164 949801192 /nfs/dbraw/zinc/80/11/92/949801192.db2.gz DKYWAILYYOAJCX-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575281166 949802478 /nfs/dbraw/zinc/80/24/78/949802478.db2.gz DKYWAILYYOAJCX-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575281166 949802458 /nfs/dbraw/zinc/80/24/58/949802458.db2.gz DKYWAILYYOAJCX-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281168 949800800 /nfs/dbraw/zinc/80/08/00/949800800.db2.gz DKYWAILYYOAJCX-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281168 949800778 /nfs/dbraw/zinc/80/07/78/949800778.db2.gz DKYWAILYYOAJCX-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281170 949801826 /nfs/dbraw/zinc/80/18/26/949801826.db2.gz DKYWAILYYOAJCX-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281170 949801799 /nfs/dbraw/zinc/80/17/99/949801799.db2.gz DKYWAILYYOAJCX-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281531 949811695 /nfs/dbraw/zinc/81/16/95/949811695.db2.gz HDMFFIPGEQAWSN-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281531 949811677 /nfs/dbraw/zinc/81/16/77/949811677.db2.gz HDMFFIPGEQAWSN-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575281533 949812377 /nfs/dbraw/zinc/81/23/77/949812377.db2.gz HDMFFIPGEQAWSN-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575281533 949812363 /nfs/dbraw/zinc/81/23/63/949812363.db2.gz HDMFFIPGEQAWSN-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281536 949810605 /nfs/dbraw/zinc/81/06/05/949810605.db2.gz HDMFFIPGEQAWSN-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281536 949810580 /nfs/dbraw/zinc/81/05/80/949810580.db2.gz HDMFFIPGEQAWSN-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281537 949812225 /nfs/dbraw/zinc/81/22/25/949812225.db2.gz HDMFFIPGEQAWSN-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281537 949812195 /nfs/dbraw/zinc/81/21/95/949812195.db2.gz HDMFFIPGEQAWSN-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281540 949813867 /nfs/dbraw/zinc/81/38/67/949813867.db2.gz HEGNEZUWDUSGAV-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281540 949813842 /nfs/dbraw/zinc/81/38/42/949813842.db2.gz HEGNEZUWDUSGAV-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575281542 949810932 /nfs/dbraw/zinc/81/09/32/949810932.db2.gz HEGNEZUWDUSGAV-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575281542 949810915 /nfs/dbraw/zinc/81/09/15/949810915.db2.gz HEGNEZUWDUSGAV-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281544 949812506 /nfs/dbraw/zinc/81/25/06/949812506.db2.gz HEGNEZUWDUSGAV-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281544 949812498 /nfs/dbraw/zinc/81/24/98/949812498.db2.gz HEGNEZUWDUSGAV-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281547 949811550 /nfs/dbraw/zinc/81/15/50/949811550.db2.gz HEGNEZUWDUSGAV-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281547 949811527 /nfs/dbraw/zinc/81/15/27/949811527.db2.gz HEGNEZUWDUSGAV-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281819 949819970 /nfs/dbraw/zinc/81/99/70/949819970.db2.gz HLTKLIDVNDZBTM-NXEZZACHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281819 949819947 /nfs/dbraw/zinc/81/99/47/949819947.db2.gz HLTKLIDVNDZBTM-NXEZZACHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281822 949820683 /nfs/dbraw/zinc/82/06/83/949820683.db2.gz HLTKLIDVNDZBTM-UWVGGRQHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281822 949820656 /nfs/dbraw/zinc/82/06/56/949820656.db2.gz HLTKLIDVNDZBTM-UWVGGRQHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281824 949818156 /nfs/dbraw/zinc/81/81/56/949818156.db2.gz HLTKLIDVNDZBTM-VHSXEESVSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281824 949818148 /nfs/dbraw/zinc/81/81/48/949818148.db2.gz HLTKLIDVNDZBTM-VHSXEESVSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575281826 949818305 /nfs/dbraw/zinc/81/83/05/949818305.db2.gz HLTKLIDVNDZBTM-ZJUUUORDSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575281826 949818282 /nfs/dbraw/zinc/81/82/82/949818282.db2.gz HLTKLIDVNDZBTM-ZJUUUORDSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281906 949825024 /nfs/dbraw/zinc/82/50/24/949825024.db2.gz IBLCIVUVERVDSW-NXEZZACHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281906 949825007 /nfs/dbraw/zinc/82/50/07/949825007.db2.gz IBLCIVUVERVDSW-NXEZZACHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281908 949822469 /nfs/dbraw/zinc/82/24/69/949822469.db2.gz IBLCIVUVERVDSW-UWVGGRQHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281908 949822449 /nfs/dbraw/zinc/82/24/49/949822449.db2.gz IBLCIVUVERVDSW-UWVGGRQHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575281909 949824184 /nfs/dbraw/zinc/82/41/84/949824184.db2.gz IBLCIVUVERVDSW-VHSXEESVSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575281909 949824165 /nfs/dbraw/zinc/82/41/65/949824165.db2.gz IBLCIVUVERVDSW-VHSXEESVSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575281910 949822905 /nfs/dbraw/zinc/82/29/05/949822905.db2.gz IBLCIVUVERVDSW-ZJUUUORDSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575281910 949822886 /nfs/dbraw/zinc/82/28/86/949822886.db2.gz IBLCIVUVERVDSW-ZJUUUORDSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282311 949827531 /nfs/dbraw/zinc/82/75/31/949827531.db2.gz KCJWQACGCMYLQD-GHMZBOCLSA-N -1 1 386.420 -0.666 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575282313 949827586 /nfs/dbraw/zinc/82/75/86/949827586.db2.gz KCJWQACGCMYLQD-MNOVXSKESA-N -1 1 386.420 -0.666 20 0 GBADMM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282315 949828754 /nfs/dbraw/zinc/82/87/54/949828754.db2.gz KCJWQACGCMYLQD-QWRGUYRKSA-N -1 1 386.420 -0.666 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282317 949826695 /nfs/dbraw/zinc/82/66/95/949826695.db2.gz KCJWQACGCMYLQD-WDEREUQCSA-N -1 1 386.420 -0.666 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282718 949845959 /nfs/dbraw/zinc/84/59/59/949845959.db2.gz LZAXZXDWEPMARU-NXEZZACHSA-N -1 1 382.450 -0.793 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282720 949844880 /nfs/dbraw/zinc/84/48/80/949844880.db2.gz LZAXZXDWEPMARU-UWVGGRQHSA-N -1 1 382.450 -0.793 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282722 949842000 /nfs/dbraw/zinc/84/20/00/949842000.db2.gz LZAXZXDWEPMARU-VHSXEESVSA-N -1 1 382.450 -0.793 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282723 949843117 /nfs/dbraw/zinc/84/31/17/949843117.db2.gz LZAXZXDWEPMARU-ZJUUUORDSA-N -1 1 382.450 -0.793 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575282909 949851532 /nfs/dbraw/zinc/85/15/32/949851532.db2.gz CQFQOZIBONUTRW-GHMZBOCLSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575282909 949851507 /nfs/dbraw/zinc/85/15/07/949851507.db2.gz CQFQOZIBONUTRW-GHMZBOCLSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575282911 949848093 /nfs/dbraw/zinc/84/80/93/949848093.db2.gz CQFQOZIBONUTRW-MNOVXSKESA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575282911 949848073 /nfs/dbraw/zinc/84/80/73/949848073.db2.gz CQFQOZIBONUTRW-MNOVXSKESA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575282914 949849661 /nfs/dbraw/zinc/84/96/61/949849661.db2.gz CQFQOZIBONUTRW-QWRGUYRKSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575282914 949849633 /nfs/dbraw/zinc/84/96/33/949849633.db2.gz CQFQOZIBONUTRW-QWRGUYRKSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575282917 949847092 /nfs/dbraw/zinc/84/70/92/949847092.db2.gz CQFQOZIBONUTRW-WDEREUQCSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575282917 949847073 /nfs/dbraw/zinc/84/70/73/949847073.db2.gz CQFQOZIBONUTRW-WDEREUQCSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283291 949861770 /nfs/dbraw/zinc/86/17/70/949861770.db2.gz OEDKIPYSXSHGID-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283291 949861745 /nfs/dbraw/zinc/86/17/45/949861745.db2.gz OEDKIPYSXSHGID-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283292 949858867 /nfs/dbraw/zinc/85/88/67/949858867.db2.gz OEDKIPYSXSHGID-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283292 949858848 /nfs/dbraw/zinc/85/88/48/949858848.db2.gz OEDKIPYSXSHGID-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283293 949861357 /nfs/dbraw/zinc/86/13/57/949861357.db2.gz OEDKIPYSXSHGID-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283293 949861331 /nfs/dbraw/zinc/86/13/31/949861331.db2.gz OEDKIPYSXSHGID-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575283294 949860565 /nfs/dbraw/zinc/86/05/65/949860565.db2.gz OEDKIPYSXSHGID-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575283294 949860543 /nfs/dbraw/zinc/86/05/43/949860543.db2.gz OEDKIPYSXSHGID-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575283456 949870487 /nfs/dbraw/zinc/87/04/87/949870487.db2.gz OZJJXALQXMKQCN-NEPJUHHUSA-N -1 1 383.416 -0.005 20 0 GBADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575283457 949870895 /nfs/dbraw/zinc/87/08/95/949870895.db2.gz OZJJXALQXMKQCN-NWDGAFQWSA-N -1 1 383.416 -0.005 20 0 GBADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575283458 949870721 /nfs/dbraw/zinc/87/07/21/949870721.db2.gz OZJJXALQXMKQCN-RYUDHWBXSA-N -1 1 383.416 -0.005 20 0 GBADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575283459 949870657 /nfs/dbraw/zinc/87/06/57/949870657.db2.gz OZJJXALQXMKQCN-VXGBXAGGSA-N -1 1 383.416 -0.005 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283572 949874559 /nfs/dbraw/zinc/87/45/59/949874559.db2.gz QBTFZCBHFYQAOV-NXEZZACHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283572 949874537 /nfs/dbraw/zinc/87/45/37/949874537.db2.gz QBTFZCBHFYQAOV-NXEZZACHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283573 949877915 /nfs/dbraw/zinc/87/79/15/949877915.db2.gz QBTFZCBHFYQAOV-UWVGGRQHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283573 949877890 /nfs/dbraw/zinc/87/78/90/949877890.db2.gz QBTFZCBHFYQAOV-UWVGGRQHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283575 949875871 /nfs/dbraw/zinc/87/58/71/949875871.db2.gz QBTFZCBHFYQAOV-VHSXEESVSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283575 949875850 /nfs/dbraw/zinc/87/58/50/949875850.db2.gz QBTFZCBHFYQAOV-VHSXEESVSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283577 949876684 /nfs/dbraw/zinc/87/66/84/949876684.db2.gz QBTFZCBHFYQAOV-ZJUUUORDSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283577 949876660 /nfs/dbraw/zinc/87/66/60/949876660.db2.gz QBTFZCBHFYQAOV-ZJUUUORDSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283579 949874622 /nfs/dbraw/zinc/87/46/22/949874622.db2.gz QDKKNAWAZDFWSI-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283579 949874618 /nfs/dbraw/zinc/87/46/18/949874618.db2.gz QDKKNAWAZDFWSI-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283581 949877402 /nfs/dbraw/zinc/87/74/02/949877402.db2.gz QDKKNAWAZDFWSI-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283581 949877378 /nfs/dbraw/zinc/87/73/78/949877378.db2.gz QDKKNAWAZDFWSI-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283583 949874059 /nfs/dbraw/zinc/87/40/59/949874059.db2.gz QDKKNAWAZDFWSI-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283583 949874038 /nfs/dbraw/zinc/87/40/38/949874038.db2.gz QDKKNAWAZDFWSI-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575283585 949877838 /nfs/dbraw/zinc/87/78/38/949877838.db2.gz QDKKNAWAZDFWSI-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575283585 949877810 /nfs/dbraw/zinc/87/78/10/949877810.db2.gz QDKKNAWAZDFWSI-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283774 949886302 /nfs/dbraw/zinc/88/63/02/949886302.db2.gz HNZTXGHHTCKQRH-GHMZBOCLSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283774 949886277 /nfs/dbraw/zinc/88/62/77/949886277.db2.gz HNZTXGHHTCKQRH-GHMZBOCLSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283776 949886214 /nfs/dbraw/zinc/88/62/14/949886214.db2.gz HNZTXGHHTCKQRH-MNOVXSKESA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283776 949886196 /nfs/dbraw/zinc/88/61/96/949886196.db2.gz HNZTXGHHTCKQRH-MNOVXSKESA-N -1 1 384.404 -0.391 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283957 949890418 /nfs/dbraw/zinc/89/04/18/949890418.db2.gz RYUJIKPFNGDICF-NXEZZACHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283957 949890398 /nfs/dbraw/zinc/89/03/98/949890398.db2.gz RYUJIKPFNGDICF-NXEZZACHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283958 949890717 /nfs/dbraw/zinc/89/07/17/949890717.db2.gz RYUJIKPFNGDICF-UWVGGRQHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283958 949890684 /nfs/dbraw/zinc/89/06/84/949890684.db2.gz RYUJIKPFNGDICF-UWVGGRQHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283960 949889712 /nfs/dbraw/zinc/88/97/12/949889712.db2.gz RYUJIKPFNGDICF-VHSXEESVSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283960 949889691 /nfs/dbraw/zinc/88/96/91/949889691.db2.gz RYUJIKPFNGDICF-VHSXEESVSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283961 949889979 /nfs/dbraw/zinc/88/99/79/949889979.db2.gz RYUJIKPFNGDICF-ZJUUUORDSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283961 949889958 /nfs/dbraw/zinc/88/99/58/949889958.db2.gz RYUJIKPFNGDICF-ZJUUUORDSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284074 949893131 /nfs/dbraw/zinc/89/31/31/949893131.db2.gz HNZTXGHHTCKQRH-QWRGUYRKSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284074 949893112 /nfs/dbraw/zinc/89/31/12/949893112.db2.gz HNZTXGHHTCKQRH-QWRGUYRKSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575284075 949892960 /nfs/dbraw/zinc/89/29/60/949892960.db2.gz HNZTXGHHTCKQRH-WDEREUQCSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575284075 949892942 /nfs/dbraw/zinc/89/29/42/949892942.db2.gz HNZTXGHHTCKQRH-WDEREUQCSA-N -1 1 384.404 -0.391 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284245 949899577 /nfs/dbraw/zinc/89/95/77/949899577.db2.gz SVGHMFLEMCVVBG-NXEZZACHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284245 949899553 /nfs/dbraw/zinc/89/95/53/949899553.db2.gz SVGHMFLEMCVVBG-NXEZZACHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284246 949902678 /nfs/dbraw/zinc/90/26/78/949902678.db2.gz SVGHMFLEMCVVBG-UWVGGRQHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284246 949902660 /nfs/dbraw/zinc/90/26/60/949902660.db2.gz SVGHMFLEMCVVBG-UWVGGRQHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284247 949901980 /nfs/dbraw/zinc/90/19/80/949901980.db2.gz SVGHMFLEMCVVBG-VHSXEESVSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284247 949901972 /nfs/dbraw/zinc/90/19/72/949901972.db2.gz SVGHMFLEMCVVBG-VHSXEESVSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284248 949903191 /nfs/dbraw/zinc/90/31/91/949903191.db2.gz SVGHMFLEMCVVBG-ZJUUUORDSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284248 949903182 /nfs/dbraw/zinc/90/31/82/949903182.db2.gz SVGHMFLEMCVVBG-ZJUUUORDSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284289 949901844 /nfs/dbraw/zinc/90/18/44/949901844.db2.gz TZEWNPYZVWZBMW-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284289 949901832 /nfs/dbraw/zinc/90/18/32/949901832.db2.gz TZEWNPYZVWZBMW-GHMZBOCLSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575284291 949900467 /nfs/dbraw/zinc/90/04/67/949900467.db2.gz TZEWNPYZVWZBMW-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575284291 949900452 /nfs/dbraw/zinc/90/04/52/949900452.db2.gz TZEWNPYZVWZBMW-MNOVXSKESA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284293 949902997 /nfs/dbraw/zinc/90/29/97/949902997.db2.gz TZEWNPYZVWZBMW-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284293 949902979 /nfs/dbraw/zinc/90/29/79/949902979.db2.gz TZEWNPYZVWZBMW-QWRGUYRKSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284294 949901758 /nfs/dbraw/zinc/90/17/58/949901758.db2.gz TZEWNPYZVWZBMW-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284294 949901749 /nfs/dbraw/zinc/90/17/49/949901749.db2.gz TZEWNPYZVWZBMW-WDEREUQCSA-N -1 1 386.420 -0.088 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284322 949902213 /nfs/dbraw/zinc/90/22/13/949902213.db2.gz UHNDPNBIYGWFOS-NXEZZACHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284322 949902203 /nfs/dbraw/zinc/90/22/03/949902203.db2.gz UHNDPNBIYGWFOS-NXEZZACHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284323 949901203 /nfs/dbraw/zinc/90/12/03/949901203.db2.gz UHNDPNBIYGWFOS-UWVGGRQHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284323 949901179 /nfs/dbraw/zinc/90/11/79/949901179.db2.gz UHNDPNBIYGWFOS-UWVGGRQHSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575284324 949899474 /nfs/dbraw/zinc/89/94/74/949899474.db2.gz UHNDPNBIYGWFOS-VHSXEESVSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575284324 949899453 /nfs/dbraw/zinc/89/94/53/949899453.db2.gz UHNDPNBIYGWFOS-VHSXEESVSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284325 949902551 /nfs/dbraw/zinc/90/25/51/949902551.db2.gz UHNDPNBIYGWFOS-ZJUUUORDSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284325 949902530 /nfs/dbraw/zinc/90/25/30/949902530.db2.gz UHNDPNBIYGWFOS-ZJUUUORDSA-N -1 1 387.408 -0.693 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284616 949910636 /nfs/dbraw/zinc/91/06/36/949910636.db2.gz KBOJSVMZFXTZTD-GHMZBOCLSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284616 949910621 /nfs/dbraw/zinc/91/06/21/949910621.db2.gz KBOJSVMZFXTZTD-GHMZBOCLSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284618 949913909 /nfs/dbraw/zinc/91/39/09/949913909.db2.gz KBOJSVMZFXTZTD-MNOVXSKESA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284618 949913892 /nfs/dbraw/zinc/91/38/92/949913892.db2.gz KBOJSVMZFXTZTD-MNOVXSKESA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284619 949911920 /nfs/dbraw/zinc/91/19/20/949911920.db2.gz KBOJSVMZFXTZTD-QWRGUYRKSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284619 949911905 /nfs/dbraw/zinc/91/19/05/949911905.db2.gz KBOJSVMZFXTZTD-QWRGUYRKSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575284621 949911602 /nfs/dbraw/zinc/91/16/02/949911602.db2.gz KBOJSVMZFXTZTD-WDEREUQCSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575284621 949911584 /nfs/dbraw/zinc/91/15/84/949911584.db2.gz KBOJSVMZFXTZTD-WDEREUQCSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575284942 949926286 /nfs/dbraw/zinc/92/62/86/949926286.db2.gz LAKMWDXZBHCMAP-GHMZBOCLSA-N -1 1 384.404 -0.969 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575284945 949928599 /nfs/dbraw/zinc/92/85/99/949928599.db2.gz LAKMWDXZBHCMAP-MNOVXSKESA-N -1 1 384.404 -0.969 20 0 GBADMM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575284948 949926537 /nfs/dbraw/zinc/92/65/37/949926537.db2.gz LAKMWDXZBHCMAP-QWRGUYRKSA-N -1 1 384.404 -0.969 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575284950 949928701 /nfs/dbraw/zinc/92/87/01/949928701.db2.gz LAKMWDXZBHCMAP-WDEREUQCSA-N -1 1 384.404 -0.969 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285070 949933155 /nfs/dbraw/zinc/93/31/55/949933155.db2.gz YCGGRTHSLYSLPJ-NXEZZACHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285070 949933142 /nfs/dbraw/zinc/93/31/42/949933142.db2.gz YCGGRTHSLYSLPJ-NXEZZACHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285071 949933321 /nfs/dbraw/zinc/93/33/21/949933321.db2.gz YCGGRTHSLYSLPJ-UWVGGRQHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285071 949933304 /nfs/dbraw/zinc/93/33/04/949933304.db2.gz YCGGRTHSLYSLPJ-UWVGGRQHSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285072 949931246 /nfs/dbraw/zinc/93/12/46/949931246.db2.gz YCGGRTHSLYSLPJ-VHSXEESVSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285072 949931229 /nfs/dbraw/zinc/93/12/29/949931229.db2.gz YCGGRTHSLYSLPJ-VHSXEESVSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285073 949929890 /nfs/dbraw/zinc/92/98/90/949929890.db2.gz YCGGRTHSLYSLPJ-ZJUUUORDSA-N -1 1 382.450 -0.215 20 0 GBADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285073 949929870 /nfs/dbraw/zinc/92/98/70/949929870.db2.gz YCGGRTHSLYSLPJ-ZJUUUORDSA-N -1 1 382.450 -0.215 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285625 949952149 /nfs/dbraw/zinc/95/21/49/949952149.db2.gz PHQJESVRRUZXOS-GHMZBOCLSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285625 949952130 /nfs/dbraw/zinc/95/21/30/949952130.db2.gz PHQJESVRRUZXOS-GHMZBOCLSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575285626 949953905 /nfs/dbraw/zinc/95/39/05/949953905.db2.gz PHQJESVRRUZXOS-MNOVXSKESA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575285626 949953881 /nfs/dbraw/zinc/95/38/81/949953881.db2.gz PHQJESVRRUZXOS-MNOVXSKESA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285627 949952319 /nfs/dbraw/zinc/95/23/19/949952319.db2.gz PHQJESVRRUZXOS-QWRGUYRKSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285627 949952311 /nfs/dbraw/zinc/95/23/11/949952311.db2.gz PHQJESVRRUZXOS-QWRGUYRKSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285628 949952202 /nfs/dbraw/zinc/95/22/02/949952202.db2.gz PHQJESVRRUZXOS-WDEREUQCSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285628 949952190 /nfs/dbraw/zinc/95/21/90/949952190.db2.gz PHQJESVRRUZXOS-WDEREUQCSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575286225 949972674 /nfs/dbraw/zinc/97/26/74/949972674.db2.gz UWSAZWLMZLZEFF-NEPJUHHUSA-N -1 1 387.448 -0.214 20 0 GBADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286227 949974201 /nfs/dbraw/zinc/97/42/01/949974201.db2.gz UWSAZWLMZLZEFF-NWDGAFQWSA-N -1 1 387.448 -0.214 20 0 GBADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286229 949975005 /nfs/dbraw/zinc/97/50/05/949975005.db2.gz UWSAZWLMZLZEFF-RYUDHWBXSA-N -1 1 387.448 -0.214 20 0 GBADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286231 949976127 /nfs/dbraw/zinc/97/61/27/949976127.db2.gz UWSAZWLMZLZEFF-VXGBXAGGSA-N -1 1 387.448 -0.214 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575286369 949978667 /nfs/dbraw/zinc/97/86/67/949978667.db2.gz VOXMYFYTKNQMQW-NEPJUHHUSA-N -1 1 383.416 -0.364 20 0 GBADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286370 949978172 /nfs/dbraw/zinc/97/81/72/949978172.db2.gz VOXMYFYTKNQMQW-NWDGAFQWSA-N -1 1 383.416 -0.364 20 0 GBADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286371 949981164 /nfs/dbraw/zinc/98/11/64/949981164.db2.gz VOXMYFYTKNQMQW-RYUDHWBXSA-N -1 1 383.416 -0.364 20 0 GBADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286372 949980713 /nfs/dbraw/zinc/98/07/13/949980713.db2.gz VOXMYFYTKNQMQW-VXGBXAGGSA-N -1 1 383.416 -0.364 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286667 949982697 /nfs/dbraw/zinc/98/26/97/949982697.db2.gz XISDPCOTUFAQTE-GHMZBOCLSA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575286668 949986148 /nfs/dbraw/zinc/98/61/48/949986148.db2.gz XISDPCOTUFAQTE-MNOVXSKESA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286669 949983450 /nfs/dbraw/zinc/98/34/50/949983450.db2.gz XISDPCOTUFAQTE-QWRGUYRKSA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286670 949983939 /nfs/dbraw/zinc/98/39/39/949983939.db2.gz XISDPCOTUFAQTE-WDEREUQCSA-N -1 1 389.464 -0.064 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286747 949989283 /nfs/dbraw/zinc/98/92/83/949989283.db2.gz YEPLSNCERNNFFR-NXEZZACHSA-N -1 1 375.437 -0.454 20 0 GBADMM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286748 949988947 /nfs/dbraw/zinc/98/89/47/949988947.db2.gz YEPLSNCERNNFFR-UWVGGRQHSA-N -1 1 375.437 -0.454 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575286749 949991520 /nfs/dbraw/zinc/99/15/20/949991520.db2.gz YEPLSNCERNNFFR-VHSXEESVSA-N -1 1 375.437 -0.454 20 0 GBADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575286750 949988837 /nfs/dbraw/zinc/98/88/37/949988837.db2.gz YEPLSNCERNNFFR-ZJUUUORDSA-N -1 1 375.437 -0.454 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575286985 949988161 /nfs/dbraw/zinc/98/81/61/949988161.db2.gz YVEXMDHNXISVQQ-GHMZBOCLSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575286985 949988144 /nfs/dbraw/zinc/98/81/44/949988144.db2.gz YVEXMDHNXISVQQ-GHMZBOCLSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575286986 949989791 /nfs/dbraw/zinc/98/97/91/949989791.db2.gz YVEXMDHNXISVQQ-MNOVXSKESA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575286986 949989774 /nfs/dbraw/zinc/98/97/74/949989774.db2.gz YVEXMDHNXISVQQ-MNOVXSKESA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575286987 949990852 /nfs/dbraw/zinc/99/08/52/949990852.db2.gz YVEXMDHNXISVQQ-QWRGUYRKSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575286987 949990833 /nfs/dbraw/zinc/99/08/33/949990833.db2.gz YVEXMDHNXISVQQ-QWRGUYRKSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575286988 949995165 /nfs/dbraw/zinc/99/51/65/949995165.db2.gz YVEXMDHNXISVQQ-WDEREUQCSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575286988 949995146 /nfs/dbraw/zinc/99/51/46/949995146.db2.gz YVEXMDHNXISVQQ-WDEREUQCSA-N -1 1 384.404 -0.391 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575287041 949992916 /nfs/dbraw/zinc/99/29/16/949992916.db2.gz ZUKCXSPTBTXOCG-GHMZBOCLSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575287041 949992899 /nfs/dbraw/zinc/99/28/99/949992899.db2.gz ZUKCXSPTBTXOCG-GHMZBOCLSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575287042 949995675 /nfs/dbraw/zinc/99/56/75/949995675.db2.gz ZUKCXSPTBTXOCG-MNOVXSKESA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575287042 949995654 /nfs/dbraw/zinc/99/56/54/949995654.db2.gz ZUKCXSPTBTXOCG-MNOVXSKESA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575287043 949995506 /nfs/dbraw/zinc/99/55/06/949995506.db2.gz ZUKCXSPTBTXOCG-QWRGUYRKSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575287043 949995477 /nfs/dbraw/zinc/99/54/77/949995477.db2.gz ZUKCXSPTBTXOCG-QWRGUYRKSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575287044 949993760 /nfs/dbraw/zinc/99/37/60/949993760.db2.gz ZUKCXSPTBTXOCG-WDEREUQCSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575287044 949993742 /nfs/dbraw/zinc/99/37/42/949993742.db2.gz ZUKCXSPTBTXOCG-WDEREUQCSA-N -1 1 388.436 -0.233 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575502889 949030945 /nfs/dbraw/zinc/03/09/45/949030945.db2.gz LKGUHYHXVICFOQ-NWDGAFQWSA-N -1 1 381.400 -0.046 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575502891 949032201 /nfs/dbraw/zinc/03/22/01/949032201.db2.gz LKGUHYHXVICFOQ-VXGBXAGGSA-N -1 1 381.400 -0.046 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575502945 949030625 /nfs/dbraw/zinc/03/06/25/949030625.db2.gz LUIXXBVZAPDHLA-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575502945 949030600 /nfs/dbraw/zinc/03/06/00/949030600.db2.gz LUIXXBVZAPDHLA-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575502946 949032619 /nfs/dbraw/zinc/03/26/19/949032619.db2.gz LUIXXBVZAPDHLA-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575502946 949032607 /nfs/dbraw/zinc/03/26/07/949032607.db2.gz LUIXXBVZAPDHLA-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575502948 949031222 /nfs/dbraw/zinc/03/12/22/949031222.db2.gz LUIXXBVZAPDHLA-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575502948 949031200 /nfs/dbraw/zinc/03/12/00/949031200.db2.gz LUIXXBVZAPDHLA-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575502950 949031988 /nfs/dbraw/zinc/03/19/88/949031988.db2.gz LUIXXBVZAPDHLA-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575502950 949031950 /nfs/dbraw/zinc/03/19/50/949031950.db2.gz LUIXXBVZAPDHLA-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001575502974 949035047 /nfs/dbraw/zinc/03/50/47/949035047.db2.gz MFQUCCRAQAHYPS-GDLCADMTSA-N -1 1 397.399 -0.815 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001575502974 949035023 /nfs/dbraw/zinc/03/50/23/949035023.db2.gz MFQUCCRAQAHYPS-GDLCADMTSA-N -1 1 397.399 -0.815 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001575502976 949032103 /nfs/dbraw/zinc/03/21/03/949032103.db2.gz MFQUCCRAQAHYPS-HONMWMINSA-N -1 1 397.399 -0.815 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001575502976 949032085 /nfs/dbraw/zinc/03/20/85/949032085.db2.gz MFQUCCRAQAHYPS-HONMWMINSA-N -1 1 397.399 -0.815 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575503226 949044917 /nfs/dbraw/zinc/04/49/17/949044917.db2.gz NUTMRWPSVSYVPH-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575503226 949044901 /nfs/dbraw/zinc/04/49/01/949044901.db2.gz NUTMRWPSVSYVPH-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575503229 949043942 /nfs/dbraw/zinc/04/39/42/949043942.db2.gz NUTMRWPSVSYVPH-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575503229 949043921 /nfs/dbraw/zinc/04/39/21/949043921.db2.gz NUTMRWPSVSYVPH-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575503233 949044038 /nfs/dbraw/zinc/04/40/38/949044038.db2.gz NUTMRWPSVSYVPH-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575503233 949044018 /nfs/dbraw/zinc/04/40/18/949044018.db2.gz NUTMRWPSVSYVPH-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575503236 949041041 /nfs/dbraw/zinc/04/10/41/949041041.db2.gz NUTMRWPSVSYVPH-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575503236 949041030 /nfs/dbraw/zinc/04/10/30/949041030.db2.gz NUTMRWPSVSYVPH-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575504052 949059842 /nfs/dbraw/zinc/05/98/42/949059842.db2.gz RFDYBGCDCYRVGW-CYZMBNFOSA-N -1 1 397.399 -0.815 20 0 GBADMM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575504052 949059824 /nfs/dbraw/zinc/05/98/24/949059824.db2.gz RFDYBGCDCYRVGW-CYZMBNFOSA-N -1 1 397.399 -0.815 20 0 GBADMM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575504053 949059539 /nfs/dbraw/zinc/05/95/39/949059539.db2.gz RFDYBGCDCYRVGW-RAIGVLPGSA-N -1 1 397.399 -0.815 20 0 GBADMM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575504053 949059515 /nfs/dbraw/zinc/05/95/15/949059515.db2.gz RFDYBGCDCYRVGW-RAIGVLPGSA-N -1 1 397.399 -0.815 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575504091 949064777 /nfs/dbraw/zinc/06/47/77/949064777.db2.gz RXNZLSHFPVXEAH-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575504091 949064759 /nfs/dbraw/zinc/06/47/59/949064759.db2.gz RXNZLSHFPVXEAH-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575504092 949063733 /nfs/dbraw/zinc/06/37/33/949063733.db2.gz RXNZLSHFPVXEAH-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575504092 949063716 /nfs/dbraw/zinc/06/37/16/949063716.db2.gz RXNZLSHFPVXEAH-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575504093 949063005 /nfs/dbraw/zinc/06/30/05/949063005.db2.gz RXNZLSHFPVXEAH-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575504093 949062987 /nfs/dbraw/zinc/06/29/87/949062987.db2.gz RXNZLSHFPVXEAH-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575504094 949065273 /nfs/dbraw/zinc/06/52/73/949065273.db2.gz RXNZLSHFPVXEAH-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575504094 949065252 /nfs/dbraw/zinc/06/52/52/949065252.db2.gz RXNZLSHFPVXEAH-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575504468 949075049 /nfs/dbraw/zinc/07/50/49/949075049.db2.gz VCDVYBSTGGOONF-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575504468 949075030 /nfs/dbraw/zinc/07/50/30/949075030.db2.gz VCDVYBSTGGOONF-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575504469 949075406 /nfs/dbraw/zinc/07/54/06/949075406.db2.gz VCDVYBSTGGOONF-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575504469 949075388 /nfs/dbraw/zinc/07/53/88/949075388.db2.gz VCDVYBSTGGOONF-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575504470 949073028 /nfs/dbraw/zinc/07/30/28/949073028.db2.gz VCDVYBSTGGOONF-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575504470 949073008 /nfs/dbraw/zinc/07/30/08/949073008.db2.gz VCDVYBSTGGOONF-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575504471 949071847 /nfs/dbraw/zinc/07/18/47/949071847.db2.gz VCDVYBSTGGOONF-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575504471 949071831 /nfs/dbraw/zinc/07/18/31/949071831.db2.gz VCDVYBSTGGOONF-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575504713 949082632 /nfs/dbraw/zinc/08/26/32/949082632.db2.gz WPIDEKIHSSSJLU-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575504713 949082610 /nfs/dbraw/zinc/08/26/10/949082610.db2.gz WPIDEKIHSSSJLU-GHMZBOCLSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575504714 949081972 /nfs/dbraw/zinc/08/19/72/949081972.db2.gz WPIDEKIHSSSJLU-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575504714 949081951 /nfs/dbraw/zinc/08/19/51/949081951.db2.gz WPIDEKIHSSSJLU-MNOVXSKESA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575504715 949082951 /nfs/dbraw/zinc/08/29/51/949082951.db2.gz WPIDEKIHSSSJLU-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575504715 949082930 /nfs/dbraw/zinc/08/29/30/949082930.db2.gz WPIDEKIHSSSJLU-QWRGUYRKSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575504716 949081680 /nfs/dbraw/zinc/08/16/80/949081680.db2.gz WPIDEKIHSSSJLU-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575504716 949081664 /nfs/dbraw/zinc/08/16/64/949081664.db2.gz WPIDEKIHSSSJLU-WDEREUQCSA-N -1 1 385.388 -0.592 20 0 GBADMM C[C@H](c1ccccc1)[C@H](O)CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575512047 949138771 /nfs/dbraw/zinc/13/87/71/949138771.db2.gz MHSRSQHITHDGIC-BXUZGUMPSA-N -1 1 399.411 -0.200 20 0 GBADMM C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575512050 949138295 /nfs/dbraw/zinc/13/82/95/949138295.db2.gz MHSRSQHITHDGIC-FZMZJTMJSA-N -1 1 399.411 -0.200 20 0 GBADMM C[C@H](c1ccccc1)[C@@H](O)CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575512053 949137973 /nfs/dbraw/zinc/13/79/73/949137973.db2.gz MHSRSQHITHDGIC-RISCZKNCSA-N -1 1 399.411 -0.200 20 0 GBADMM C[C@@H](c1ccccc1)[C@H](O)CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575512057 949137207 /nfs/dbraw/zinc/13/72/07/949137207.db2.gz MHSRSQHITHDGIC-SMDDNHRTSA-N -1 1 399.411 -0.200 20 0 GBADMM C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575514042 949158621 /nfs/dbraw/zinc/15/86/21/949158621.db2.gz VAJOHETYTWEPPS-GWCFXTLKSA-N -1 1 385.384 -0.590 20 0 GBADMM C[C@@H](c1ccccc1)[C@H](O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575514046 949158422 /nfs/dbraw/zinc/15/84/22/949158422.db2.gz VAJOHETYTWEPPS-GXFFZTMASA-N -1 1 385.384 -0.590 20 0 GBADMM C[C@H](c1ccccc1)[C@@H](O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575514048 949158962 /nfs/dbraw/zinc/15/89/62/949158962.db2.gz VAJOHETYTWEPPS-MFKMUULPSA-N -1 1 385.384 -0.590 20 0 GBADMM C[C@H](c1ccccc1)[C@H](O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575514051 949160169 /nfs/dbraw/zinc/16/01/69/949160169.db2.gz VAJOHETYTWEPPS-ZWNOBZJWSA-N -1 1 385.384 -0.590 20 0 GBADMM C[C@]1(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575523583 949298977 /nfs/dbraw/zinc/29/89/77/949298977.db2.gz CPYDSOALOHMQDB-INIZCTEOSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@]1(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575523583 949298954 /nfs/dbraw/zinc/29/89/54/949298954.db2.gz CPYDSOALOHMQDB-INIZCTEOSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@@]1(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575523585 949299288 /nfs/dbraw/zinc/29/92/88/949299288.db2.gz CPYDSOALOHMQDB-MRXNPFEDSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@@]1(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575523585 949299272 /nfs/dbraw/zinc/29/92/72/949299272.db2.gz CPYDSOALOHMQDB-MRXNPFEDSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575524397 949310061 /nfs/dbraw/zinc/31/00/61/949310061.db2.gz HRDBVIIAIPNKSC-UHFFFAOYSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575524397 949310040 /nfs/dbraw/zinc/31/00/40/949310040.db2.gz HRDBVIIAIPNKSC-UHFFFAOYSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575524404 949318274 /nfs/dbraw/zinc/31/82/74/949318274.db2.gz IAYDTNZHXGMPRQ-INIZCTEOSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575524404 949318253 /nfs/dbraw/zinc/31/82/53/949318253.db2.gz IAYDTNZHXGMPRQ-INIZCTEOSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575524405 949318666 /nfs/dbraw/zinc/31/86/66/949318666.db2.gz IAYDTNZHXGMPRQ-MRXNPFEDSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575524405 949318645 /nfs/dbraw/zinc/31/86/45/949318645.db2.gz IAYDTNZHXGMPRQ-MRXNPFEDSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575524406 949315687 /nfs/dbraw/zinc/31/56/87/949315687.db2.gz IBBHYOQIYMOQIH-UHFFFAOYSA-N -1 1 382.375 -0.253 20 0 GBADMM C[C@]1(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575524466 949316740 /nfs/dbraw/zinc/31/67/40/949316740.db2.gz JSEVAZSXZHMHCW-INIZCTEOSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@]1(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575524466 949316708 /nfs/dbraw/zinc/31/67/08/949316708.db2.gz JSEVAZSXZHMHCW-INIZCTEOSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@@]1(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575524467 949316374 /nfs/dbraw/zinc/31/63/74/949316374.db2.gz JSEVAZSXZHMHCW-MRXNPFEDSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@@]1(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575524467 949316349 /nfs/dbraw/zinc/31/63/49/949316349.db2.gz JSEVAZSXZHMHCW-MRXNPFEDSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575524886 949330068 /nfs/dbraw/zinc/33/00/68/949330068.db2.gz KJWUSQYEPLBKER-UHFFFAOYSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575524886 949330054 /nfs/dbraw/zinc/33/00/54/949330054.db2.gz KJWUSQYEPLBKER-UHFFFAOYSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001575525444 949344638 /nfs/dbraw/zinc/34/46/38/949344638.db2.gz NSDONTISWALIPP-UHFFFAOYSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001575525444 949344612 /nfs/dbraw/zinc/34/46/12/949344612.db2.gz NSDONTISWALIPP-UHFFFAOYSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575525683 949354007 /nfs/dbraw/zinc/35/40/07/949354007.db2.gz PLBVCMIMBRVTDR-UHFFFAOYSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575525683 949353985 /nfs/dbraw/zinc/35/39/85/949353985.db2.gz PLBVCMIMBRVTDR-UHFFFAOYSA-N -1 1 376.421 -0.294 20 0 GBADMM CC1(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575525815 949354580 /nfs/dbraw/zinc/35/45/80/949354580.db2.gz QZKVPOVUVZPGNY-UHFFFAOYSA-N -1 1 376.421 -0.872 20 0 GBADMM C[C@]1(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575526218 949361732 /nfs/dbraw/zinc/36/17/32/949361732.db2.gz WDQPQAOVRVYDHK-INIZCTEOSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@]1(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575526218 949361710 /nfs/dbraw/zinc/36/17/10/949361710.db2.gz WDQPQAOVRVYDHK-INIZCTEOSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@@]1(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575526222 949361878 /nfs/dbraw/zinc/36/18/78/949361878.db2.gz WDQPQAOVRVYDHK-MRXNPFEDSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@@]1(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575526222 949361857 /nfs/dbraw/zinc/36/18/57/949361857.db2.gz WDQPQAOVRVYDHK-MRXNPFEDSA-N -1 1 376.421 -0.294 20 0 GBADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCNC1=O ZINC001575528257 949394758 /nfs/dbraw/zinc/39/47/58/949394758.db2.gz PVQSMCABGXAKEA-RVPKQNPDSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCNC1=O ZINC001575528257 949394737 /nfs/dbraw/zinc/39/47/37/949394737.db2.gz PVQSMCABGXAKEA-RVPKQNPDSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCNC1=O ZINC001575528258 949394696 /nfs/dbraw/zinc/39/46/96/949394696.db2.gz PVQSMCABGXAKEA-VGTOOOLASA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCNC1=O ZINC001575528258 949394674 /nfs/dbraw/zinc/39/46/74/949394674.db2.gz PVQSMCABGXAKEA-VGTOOOLASA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575533549 949414403 /nfs/dbraw/zinc/41/44/03/949414403.db2.gz HLIFCPZEYIZMJM-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCNC1=O ZINC001575533549 949414390 /nfs/dbraw/zinc/41/43/90/949414390.db2.gz HLIFCPZEYIZMJM-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575533552 949416779 /nfs/dbraw/zinc/41/67/79/949416779.db2.gz HLIFCPZEYIZMJM-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCNC1=O ZINC001575533552 949416765 /nfs/dbraw/zinc/41/67/65/949416765.db2.gz HLIFCPZEYIZMJM-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575533556 949416315 /nfs/dbraw/zinc/41/63/15/949416315.db2.gz HLIFCPZEYIZMJM-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCNC1=O ZINC001575533556 949416299 /nfs/dbraw/zinc/41/62/99/949416299.db2.gz HLIFCPZEYIZMJM-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575533559 949417081 /nfs/dbraw/zinc/41/70/81/949417081.db2.gz HLIFCPZEYIZMJM-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCNC1=O ZINC001575533559 949417068 /nfs/dbraw/zinc/41/70/68/949417068.db2.gz HLIFCPZEYIZMJM-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575534228 949423208 /nfs/dbraw/zinc/42/32/08/949423208.db2.gz LFSDVEJACZALMN-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575534228 949423196 /nfs/dbraw/zinc/42/31/96/949423196.db2.gz LFSDVEJACZALMN-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575534229 949424955 /nfs/dbraw/zinc/42/49/55/949424955.db2.gz LFSDVEJACZALMN-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575534229 949424934 /nfs/dbraw/zinc/42/49/34/949424934.db2.gz LFSDVEJACZALMN-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575534230 949425067 /nfs/dbraw/zinc/42/50/67/949425067.db2.gz LFSDVEJACZALMN-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575534230 949425048 /nfs/dbraw/zinc/42/50/48/949425048.db2.gz LFSDVEJACZALMN-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575534231 949423904 /nfs/dbraw/zinc/42/39/04/949423904.db2.gz LFSDVEJACZALMN-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575534231 949423886 /nfs/dbraw/zinc/42/38/86/949423886.db2.gz LFSDVEJACZALMN-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575534497 949427277 /nfs/dbraw/zinc/42/72/77/949427277.db2.gz MVJCXKRKKDWOKY-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575534497 949427267 /nfs/dbraw/zinc/42/72/67/949427267.db2.gz MVJCXKRKKDWOKY-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575534500 949428595 /nfs/dbraw/zinc/42/85/95/949428595.db2.gz MVJCXKRKKDWOKY-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575534500 949428587 /nfs/dbraw/zinc/42/85/87/949428587.db2.gz MVJCXKRKKDWOKY-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575534502 949427476 /nfs/dbraw/zinc/42/74/76/949427476.db2.gz MVJCXKRKKDWOKY-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575534502 949427468 /nfs/dbraw/zinc/42/74/68/949427468.db2.gz MVJCXKRKKDWOKY-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575534503 949426781 /nfs/dbraw/zinc/42/67/81/949426781.db2.gz MVJCXKRKKDWOKY-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575534503 949426769 /nfs/dbraw/zinc/42/67/69/949426769.db2.gz MVJCXKRKKDWOKY-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCNC1=O ZINC001575534587 949432809 /nfs/dbraw/zinc/43/28/09/949432809.db2.gz ONBGNLIQGJZMSC-KRWDZBQOSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCNC1=O ZINC001575534587 949432799 /nfs/dbraw/zinc/43/27/99/949432799.db2.gz ONBGNLIQGJZMSC-KRWDZBQOSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCNC1=O ZINC001575534588 949431758 /nfs/dbraw/zinc/43/17/58/949431758.db2.gz ONBGNLIQGJZMSC-QGZVFWFLSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCNC1=O ZINC001575534588 949431747 /nfs/dbraw/zinc/43/17/47/949431747.db2.gz ONBGNLIQGJZMSC-QGZVFWFLSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575534606 949431240 /nfs/dbraw/zinc/43/12/40/949431240.db2.gz PDGHEEWXRDTAJG-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575534606 949431231 /nfs/dbraw/zinc/43/12/31/949431231.db2.gz PDGHEEWXRDTAJG-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575534607 949433640 /nfs/dbraw/zinc/43/36/40/949433640.db2.gz PDGHEEWXRDTAJG-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575534607 949433616 /nfs/dbraw/zinc/43/36/16/949433616.db2.gz PDGHEEWXRDTAJG-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575534608 949433828 /nfs/dbraw/zinc/43/38/28/949433828.db2.gz PDGHEEWXRDTAJG-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575534608 949433814 /nfs/dbraw/zinc/43/38/14/949433814.db2.gz PDGHEEWXRDTAJG-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575534609 949432435 /nfs/dbraw/zinc/43/24/35/949432435.db2.gz PDGHEEWXRDTAJG-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575534609 949432424 /nfs/dbraw/zinc/43/24/24/949432424.db2.gz PDGHEEWXRDTAJG-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575535215 949440568 /nfs/dbraw/zinc/44/05/68/949440568.db2.gz UEBVSRLJCCKWAL-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575535215 949440557 /nfs/dbraw/zinc/44/05/57/949440557.db2.gz UEBVSRLJCCKWAL-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575535216 949440726 /nfs/dbraw/zinc/44/07/26/949440726.db2.gz UEBVSRLJCCKWAL-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575535216 949440715 /nfs/dbraw/zinc/44/07/15/949440715.db2.gz UEBVSRLJCCKWAL-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575535217 949441682 /nfs/dbraw/zinc/44/16/82/949441682.db2.gz UEBVSRLJCCKWAL-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575535217 949441667 /nfs/dbraw/zinc/44/16/67/949441667.db2.gz UEBVSRLJCCKWAL-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575535218 949440826 /nfs/dbraw/zinc/44/08/26/949440826.db2.gz UEBVSRLJCCKWAL-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575535218 949440817 /nfs/dbraw/zinc/44/08/17/949440817.db2.gz UEBVSRLJCCKWAL-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575535311 949446882 /nfs/dbraw/zinc/44/68/82/949446882.db2.gz VLCAMJNTDYWWMA-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575535311 949446870 /nfs/dbraw/zinc/44/68/70/949446870.db2.gz VLCAMJNTDYWWMA-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575535312 949445238 /nfs/dbraw/zinc/44/52/38/949445238.db2.gz VLCAMJNTDYWWMA-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575535312 949445229 /nfs/dbraw/zinc/44/52/29/949445229.db2.gz VLCAMJNTDYWWMA-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575535313 949445101 /nfs/dbraw/zinc/44/51/01/949445101.db2.gz VLCAMJNTDYWWMA-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575535313 949445088 /nfs/dbraw/zinc/44/50/88/949445088.db2.gz VLCAMJNTDYWWMA-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575535316 949444433 /nfs/dbraw/zinc/44/44/33/949444433.db2.gz VLCAMJNTDYWWMA-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575535316 949444412 /nfs/dbraw/zinc/44/44/12/949444412.db2.gz VLCAMJNTDYWWMA-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575535317 949445485 /nfs/dbraw/zinc/44/54/85/949445485.db2.gz VLEWICBCVONLDD-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575535317 949445475 /nfs/dbraw/zinc/44/54/75/949445475.db2.gz VLEWICBCVONLDD-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575535318 949444094 /nfs/dbraw/zinc/44/40/94/949444094.db2.gz VLEWICBCVONLDD-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575535318 949444073 /nfs/dbraw/zinc/44/40/73/949444073.db2.gz VLEWICBCVONLDD-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575535319 949446826 /nfs/dbraw/zinc/44/68/26/949446826.db2.gz VLEWICBCVONLDD-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575535319 949446809 /nfs/dbraw/zinc/44/68/09/949446809.db2.gz VLEWICBCVONLDD-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575535320 949446230 /nfs/dbraw/zinc/44/62/30/949446230.db2.gz VLEWICBCVONLDD-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575535320 949446208 /nfs/dbraw/zinc/44/62/08/949446208.db2.gz VLEWICBCVONLDD-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575535353 949445449 /nfs/dbraw/zinc/44/54/49/949445449.db2.gz VUNPKVACGNYMRK-APPDUMDISA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575535354 949444987 /nfs/dbraw/zinc/44/49/87/949444987.db2.gz VUNPKVACGNYMRK-DIFFPNOSSA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575535355 949445371 /nfs/dbraw/zinc/44/53/71/949445371.db2.gz VUNPKVACGNYMRK-GTNSWQLSSA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575535356 949446696 /nfs/dbraw/zinc/44/66/96/949446696.db2.gz VUNPKVACGNYMRK-PIGZYNQJSA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575535497 949450547 /nfs/dbraw/zinc/45/05/47/949450547.db2.gz XPNYDDKSNRXXPZ-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575535497 949450531 /nfs/dbraw/zinc/45/05/31/949450531.db2.gz XPNYDDKSNRXXPZ-APPDUMDISA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575535498 949450912 /nfs/dbraw/zinc/45/09/12/949450912.db2.gz XPNYDDKSNRXXPZ-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575535498 949450904 /nfs/dbraw/zinc/45/09/04/949450904.db2.gz XPNYDDKSNRXXPZ-DIFFPNOSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575535499 949450477 /nfs/dbraw/zinc/45/04/77/949450477.db2.gz XPNYDDKSNRXXPZ-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575535499 949450463 /nfs/dbraw/zinc/45/04/63/949450463.db2.gz XPNYDDKSNRXXPZ-GTNSWQLSSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575535500 949448526 /nfs/dbraw/zinc/44/85/26/949448526.db2.gz XPNYDDKSNRXXPZ-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575535500 949448506 /nfs/dbraw/zinc/44/85/06/949448506.db2.gz XPNYDDKSNRXXPZ-PIGZYNQJSA-N -1 1 385.432 -0.167 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575535768 949454552 /nfs/dbraw/zinc/45/45/52/949454552.db2.gz AZKHBQFLFQOWLI-BMIGLBTASA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCS1(=O)=O ZINC001575535768 949454533 /nfs/dbraw/zinc/45/45/33/949454533.db2.gz AZKHBQFLFQOWLI-BMIGLBTASA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575535769 949453323 /nfs/dbraw/zinc/45/33/23/949453323.db2.gz AZKHBQFLFQOWLI-BONVTDFDSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCS1(=O)=O ZINC001575535769 949453305 /nfs/dbraw/zinc/45/33/05/949453305.db2.gz AZKHBQFLFQOWLI-BONVTDFDSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575535770 949454080 /nfs/dbraw/zinc/45/40/80/949454080.db2.gz AZKHBQFLFQOWLI-MEBBXXQBSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCS1(=O)=O ZINC001575535770 949454059 /nfs/dbraw/zinc/45/40/59/949454059.db2.gz AZKHBQFLFQOWLI-MEBBXXQBSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575535771 949453023 /nfs/dbraw/zinc/45/30/23/949453023.db2.gz AZKHBQFLFQOWLI-ZUZCIYMTSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCS1(=O)=O ZINC001575535771 949453001 /nfs/dbraw/zinc/45/30/01/949453001.db2.gz AZKHBQFLFQOWLI-ZUZCIYMTSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575535776 949454284 /nfs/dbraw/zinc/45/42/84/949454284.db2.gz BACWYPRTPDOKPU-KRWDZBQOSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575535777 949453424 /nfs/dbraw/zinc/45/34/24/949453424.db2.gz BACWYPRTPDOKPU-QGZVFWFLSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@]1(C(=O)N2CCC(O)(CNc3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575536038 949464501 /nfs/dbraw/zinc/46/45/01/949464501.db2.gz DEQFWIRXTAPDDT-INIZCTEOSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC(O)(CNc3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575536038 949464490 /nfs/dbraw/zinc/46/44/90/949464490.db2.gz DEQFWIRXTAPDDT-INIZCTEOSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC(O)(CNc3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575536039 949464137 /nfs/dbraw/zinc/46/41/37/949464137.db2.gz DEQFWIRXTAPDDT-MRXNPFEDSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC(O)(CNc3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575536039 949464119 /nfs/dbraw/zinc/46/41/19/949464119.db2.gz DEQFWIRXTAPDDT-MRXNPFEDSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCNC(=O)C1 ZINC001575536340 949466155 /nfs/dbraw/zinc/46/61/55/949466155.db2.gz HDEVSKHKLKOOLU-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCNC(=O)C1 ZINC001575536340 949466141 /nfs/dbraw/zinc/46/61/41/949466141.db2.gz HDEVSKHKLKOOLU-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCNC(=O)C1 ZINC001575536343 949468296 /nfs/dbraw/zinc/46/82/96/949468296.db2.gz HDEVSKHKLKOOLU-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCNC(=O)C1 ZINC001575536343 949468276 /nfs/dbraw/zinc/46/82/76/949468276.db2.gz HDEVSKHKLKOOLU-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575536349 949467095 /nfs/dbraw/zinc/46/70/95/949467095.db2.gz HQQSVZWZBVEEFQ-BMIGLBTASA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575536349 949467085 /nfs/dbraw/zinc/46/70/85/949467085.db2.gz HQQSVZWZBVEEFQ-BMIGLBTASA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575536351 949466939 /nfs/dbraw/zinc/46/69/39/949466939.db2.gz HQQSVZWZBVEEFQ-BONVTDFDSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575536351 949466926 /nfs/dbraw/zinc/46/69/26/949466926.db2.gz HQQSVZWZBVEEFQ-BONVTDFDSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575536352 949466856 /nfs/dbraw/zinc/46/68/56/949466856.db2.gz HQQSVZWZBVEEFQ-MEBBXXQBSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575536352 949466843 /nfs/dbraw/zinc/46/68/43/949466843.db2.gz HQQSVZWZBVEEFQ-MEBBXXQBSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575536353 949469171 /nfs/dbraw/zinc/46/91/71/949469171.db2.gz HQQSVZWZBVEEFQ-ZUZCIYMTSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575536353 949469153 /nfs/dbraw/zinc/46/91/53/949469153.db2.gz HQQSVZWZBVEEFQ-ZUZCIYMTSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575536386 949468701 /nfs/dbraw/zinc/46/87/01/949468701.db2.gz HZPMEBYMSDQOMB-BMIGLBTASA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575536386 949468686 /nfs/dbraw/zinc/46/86/86/949468686.db2.gz HZPMEBYMSDQOMB-BMIGLBTASA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575536388 949467460 /nfs/dbraw/zinc/46/74/60/949467460.db2.gz HZPMEBYMSDQOMB-BONVTDFDSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575536388 949467448 /nfs/dbraw/zinc/46/74/48/949467448.db2.gz HZPMEBYMSDQOMB-BONVTDFDSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575536389 949468643 /nfs/dbraw/zinc/46/86/43/949468643.db2.gz HZPMEBYMSDQOMB-MEBBXXQBSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575536389 949468624 /nfs/dbraw/zinc/46/86/24/949468624.db2.gz HZPMEBYMSDQOMB-MEBBXXQBSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575536390 949467804 /nfs/dbraw/zinc/46/78/04/949467804.db2.gz HZPMEBYMSDQOMB-ZUZCIYMTSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575536390 949467791 /nfs/dbraw/zinc/46/77/91/949467791.db2.gz HZPMEBYMSDQOMB-ZUZCIYMTSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCC(=O)NC1 ZINC001575536536 949472329 /nfs/dbraw/zinc/47/23/29/949472329.db2.gz JBMFEXGWMRIDJR-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCC(=O)NC1 ZINC001575536536 949472319 /nfs/dbraw/zinc/47/23/19/949472319.db2.gz JBMFEXGWMRIDJR-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCC(=O)NC1 ZINC001575536537 949472209 /nfs/dbraw/zinc/47/22/09/949472209.db2.gz JBMFEXGWMRIDJR-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCC(=O)NC1 ZINC001575536537 949472205 /nfs/dbraw/zinc/47/22/05/949472205.db2.gz JBMFEXGWMRIDJR-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC(O)(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC001575536723 949477819 /nfs/dbraw/zinc/47/78/19/949477819.db2.gz KXFJZPOYYSUSGO-INIZCTEOSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC(O)(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC001575536723 949477802 /nfs/dbraw/zinc/47/78/02/949477802.db2.gz KXFJZPOYYSUSGO-INIZCTEOSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC(O)(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC001575536724 949476692 /nfs/dbraw/zinc/47/66/92/949476692.db2.gz KXFJZPOYYSUSGO-MRXNPFEDSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC(O)(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC001575536724 949476680 /nfs/dbraw/zinc/47/66/80/949476680.db2.gz KXFJZPOYYSUSGO-MRXNPFEDSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575536823 949481394 /nfs/dbraw/zinc/48/13/94/949481394.db2.gz MTPREYYUAGSGMT-INIZCTEOSA-N -1 1 388.432 -0.729 20 0 GBADMM C[C@@]1(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575536825 949480744 /nfs/dbraw/zinc/48/07/44/949480744.db2.gz MTPREYYUAGSGMT-MRXNPFEDSA-N -1 1 388.432 -0.729 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575536965 949484827 /nfs/dbraw/zinc/48/48/27/949484827.db2.gz PKQAYHHQXVWKRU-BMIGLBTASA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575536965 949484810 /nfs/dbraw/zinc/48/48/10/949484810.db2.gz PKQAYHHQXVWKRU-BMIGLBTASA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575536966 949485969 /nfs/dbraw/zinc/48/59/69/949485969.db2.gz PKQAYHHQXVWKRU-BONVTDFDSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575536966 949485957 /nfs/dbraw/zinc/48/59/57/949485957.db2.gz PKQAYHHQXVWKRU-BONVTDFDSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575536967 949486259 /nfs/dbraw/zinc/48/62/59/949486259.db2.gz PKQAYHHQXVWKRU-MEBBXXQBSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575536967 949486250 /nfs/dbraw/zinc/48/62/50/949486250.db2.gz PKQAYHHQXVWKRU-MEBBXXQBSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575536968 949486354 /nfs/dbraw/zinc/48/63/54/949486354.db2.gz PKQAYHHQXVWKRU-ZUZCIYMTSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575536968 949486344 /nfs/dbraw/zinc/48/63/44/949486344.db2.gz PKQAYHHQXVWKRU-ZUZCIYMTSA-N -1 1 392.445 -0.363 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575536978 949486531 /nfs/dbraw/zinc/48/65/31/949486531.db2.gz PNTHVJFJAFHVFL-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCNC(=O)C1 ZINC001575536978 949486521 /nfs/dbraw/zinc/48/65/21/949486521.db2.gz PNTHVJFJAFHVFL-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575536980 949485656 /nfs/dbraw/zinc/48/56/56/949485656.db2.gz PNTHVJFJAFHVFL-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCNC(=O)C1 ZINC001575536980 949485637 /nfs/dbraw/zinc/48/56/37/949485637.db2.gz PNTHVJFJAFHVFL-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575536991 949486192 /nfs/dbraw/zinc/48/61/92/949486192.db2.gz PUSUQTKSAVMASS-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575536991 949486182 /nfs/dbraw/zinc/48/61/82/949486182.db2.gz PUSUQTKSAVMASS-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575536993 949486432 /nfs/dbraw/zinc/48/64/32/949486432.db2.gz PUSUQTKSAVMASS-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575536993 949486421 /nfs/dbraw/zinc/48/64/21/949486421.db2.gz PUSUQTKSAVMASS-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575537003 949484922 /nfs/dbraw/zinc/48/49/22/949484922.db2.gz PVXJUVKDZDMVST-BMIGLBTASA-N -1 1 392.445 -0.941 20 0 GBADMM C[C@@]1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575537004 949484166 /nfs/dbraw/zinc/48/41/66/949484166.db2.gz PVXJUVKDZDMVST-BONVTDFDSA-N -1 1 392.445 -0.941 20 0 GBADMM C[C@]1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575537005 949484458 /nfs/dbraw/zinc/48/44/58/949484458.db2.gz PVXJUVKDZDMVST-MEBBXXQBSA-N -1 1 392.445 -0.941 20 0 GBADMM C[C@]1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575537007 949484392 /nfs/dbraw/zinc/48/43/92/949484392.db2.gz PVXJUVKDZDMVST-ZUZCIYMTSA-N -1 1 392.445 -0.941 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575537222 949489446 /nfs/dbraw/zinc/48/94/46/949489446.db2.gz TWXMEMKTYNTQRB-KRWDZBQOSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575537223 949489133 /nfs/dbraw/zinc/48/91/33/949489133.db2.gz TWXMEMKTYNTQRB-QGZVFWFLSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575537854 949508496 /nfs/dbraw/zinc/50/84/96/949508496.db2.gz YXFAHQBNLKEVTK-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCC(=O)NC1 ZINC001575537854 949508475 /nfs/dbraw/zinc/50/84/75/949508475.db2.gz YXFAHQBNLKEVTK-KRWDZBQOSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575537855 949509789 /nfs/dbraw/zinc/50/97/89/949509789.db2.gz BMTDTCSVWKCPRS-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575537855 949509768 /nfs/dbraw/zinc/50/97/68/949509768.db2.gz BMTDTCSVWKCPRS-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575537856 949507634 /nfs/dbraw/zinc/50/76/34/949507634.db2.gz YXFAHQBNLKEVTK-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCC(=O)NC1 ZINC001575537856 949507616 /nfs/dbraw/zinc/50/76/16/949507616.db2.gz YXFAHQBNLKEVTK-QGZVFWFLSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575537859 949508813 /nfs/dbraw/zinc/50/88/13/949508813.db2.gz BMTDTCSVWKCPRS-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575537859 949508798 /nfs/dbraw/zinc/50/87/98/949508798.db2.gz BMTDTCSVWKCPRS-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575537863 949508054 /nfs/dbraw/zinc/50/80/54/949508054.db2.gz BMTDTCSVWKCPRS-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575537863 949508032 /nfs/dbraw/zinc/50/80/32/949508032.db2.gz BMTDTCSVWKCPRS-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575537870 949508428 /nfs/dbraw/zinc/50/84/28/949508428.db2.gz BMTDTCSVWKCPRS-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575537870 949508408 /nfs/dbraw/zinc/50/84/08/949508408.db2.gz BMTDTCSVWKCPRS-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575538210 949516114 /nfs/dbraw/zinc/51/61/14/949516114.db2.gz DZGFJCXUIKNTOV-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575538210 949516091 /nfs/dbraw/zinc/51/60/91/949516091.db2.gz DZGFJCXUIKNTOV-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575538211 949516997 /nfs/dbraw/zinc/51/69/97/949516997.db2.gz DZGFJCXUIKNTOV-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575538211 949516990 /nfs/dbraw/zinc/51/69/90/949516990.db2.gz DZGFJCXUIKNTOV-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575538604 949521944 /nfs/dbraw/zinc/52/19/44/949521944.db2.gz HOJLVJOVHRJCMG-DLBZAZTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575538604 949521917 /nfs/dbraw/zinc/52/19/17/949521917.db2.gz HOJLVJOVHRJCMG-DLBZAZTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575538607 949523217 /nfs/dbraw/zinc/52/32/17/949523217.db2.gz HOJLVJOVHRJCMG-IAGOWNOFSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575538607 949523198 /nfs/dbraw/zinc/52/31/98/949523198.db2.gz HOJLVJOVHRJCMG-IAGOWNOFSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575538608 949524123 /nfs/dbraw/zinc/52/41/23/949524123.db2.gz HOJLVJOVHRJCMG-IRXDYDNUSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575538608 949524102 /nfs/dbraw/zinc/52/41/02/949524102.db2.gz HOJLVJOVHRJCMG-IRXDYDNUSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575538609 949522383 /nfs/dbraw/zinc/52/23/83/949522383.db2.gz HOJLVJOVHRJCMG-SJORKVTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575538609 949522370 /nfs/dbraw/zinc/52/23/70/949522370.db2.gz HOJLVJOVHRJCMG-SJORKVTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575538713 949528812 /nfs/dbraw/zinc/52/88/12/949528812.db2.gz JHNJKDQTYKZZAE-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575538713 949528799 /nfs/dbraw/zinc/52/87/99/949528799.db2.gz JHNJKDQTYKZZAE-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575538714 949528532 /nfs/dbraw/zinc/52/85/32/949528532.db2.gz JHNJKDQTYKZZAE-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575538714 949528517 /nfs/dbraw/zinc/52/85/17/949528517.db2.gz JHNJKDQTYKZZAE-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575538910 949539773 /nfs/dbraw/zinc/53/97/73/949539773.db2.gz KYNSDEQAWVYFCO-APPDUMDISA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575538911 949537183 /nfs/dbraw/zinc/53/71/83/949537183.db2.gz KYNSDEQAWVYFCO-DIFFPNOSSA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575538912 949535725 /nfs/dbraw/zinc/53/57/25/949535725.db2.gz KYNSDEQAWVYFCO-GTNSWQLSSA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575538913 949537648 /nfs/dbraw/zinc/53/76/48/949537648.db2.gz KYNSDEQAWVYFCO-PIGZYNQJSA-N -1 1 385.432 -0.745 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575539552 949551838 /nfs/dbraw/zinc/55/18/38/949551838.db2.gz QQXOEMCNQWNGBC-DLBZAZTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575539552 949551817 /nfs/dbraw/zinc/55/18/17/949551817.db2.gz QQXOEMCNQWNGBC-DLBZAZTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575539553 949553079 /nfs/dbraw/zinc/55/30/79/949553079.db2.gz QQXOEMCNQWNGBC-IAGOWNOFSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575539553 949553046 /nfs/dbraw/zinc/55/30/46/949553046.db2.gz QQXOEMCNQWNGBC-IAGOWNOFSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575539554 949553880 /nfs/dbraw/zinc/55/38/80/949553880.db2.gz QQXOEMCNQWNGBC-IRXDYDNUSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575539554 949553865 /nfs/dbraw/zinc/55/38/65/949553865.db2.gz QQXOEMCNQWNGBC-IRXDYDNUSA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575539555 949554650 /nfs/dbraw/zinc/55/46/50/949554650.db2.gz QQXOEMCNQWNGBC-SJORKVTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575539555 949554634 /nfs/dbraw/zinc/55/46/34/949554634.db2.gz QQXOEMCNQWNGBC-SJORKVTESA-N -1 1 388.432 -0.151 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575539584 949552742 /nfs/dbraw/zinc/55/27/42/949552742.db2.gz RBIJUICLZNQLQH-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575539584 949552725 /nfs/dbraw/zinc/55/27/25/949552725.db2.gz RBIJUICLZNQLQH-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575539585 949552998 /nfs/dbraw/zinc/55/29/98/949552998.db2.gz RBIJUICLZNQLQH-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 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XJYXRUMKBMCWLT-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575540411 949568170 /nfs/dbraw/zinc/56/81/70/949568170.db2.gz XJYXRUMKBMCWLT-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575540411 949568144 /nfs/dbraw/zinc/56/81/44/949568144.db2.gz XJYXRUMKBMCWLT-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575540416 949569510 /nfs/dbraw/zinc/56/95/10/949569510.db2.gz XJYXRUMKBMCWLT-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575540416 949569497 /nfs/dbraw/zinc/56/94/97/949569497.db2.gz XJYXRUMKBMCWLT-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575540417 949568214 /nfs/dbraw/zinc/56/82/14/949568214.db2.gz XJYXRUMKBMCWLT-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575540417 949568206 /nfs/dbraw/zinc/56/82/06/949568206.db2.gz XJYXRUMKBMCWLT-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575544153 949578778 /nfs/dbraw/zinc/57/87/78/949578778.db2.gz AYCWJJMIGYPSHS-APPDUMDISA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575544156 949576945 /nfs/dbraw/zinc/57/69/45/949576945.db2.gz AYCWJJMIGYPSHS-GTNSWQLSSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575544163 949579048 /nfs/dbraw/zinc/57/90/48/949579048.db2.gz BCFASJYKYGKADI-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCC(=O)NC1 ZINC001575544163 949579039 /nfs/dbraw/zinc/57/90/39/949579039.db2.gz BCFASJYKYGKADI-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575544170 949576800 /nfs/dbraw/zinc/57/68/00/949576800.db2.gz BCFASJYKYGKADI-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCC(=O)NC1 ZINC001575544170 949576779 /nfs/dbraw/zinc/57/67/79/949576779.db2.gz BCFASJYKYGKADI-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575544231 949581303 /nfs/dbraw/zinc/58/13/03/949581303.db2.gz BVAGSVSNHFTXTE-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575544231 949581287 /nfs/dbraw/zinc/58/12/87/949581287.db2.gz BVAGSVSNHFTXTE-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575544232 949583778 /nfs/dbraw/zinc/58/37/78/949583778.db2.gz BVAGSVSNHFTXTE-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575544232 949583770 /nfs/dbraw/zinc/58/37/70/949583770.db2.gz BVAGSVSNHFTXTE-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575544233 949580602 /nfs/dbraw/zinc/58/06/02/949580602.db2.gz BVAGSVSNHFTXTE-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575544233 949580592 /nfs/dbraw/zinc/58/05/92/949580592.db2.gz BVAGSVSNHFTXTE-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575544235 949583176 /nfs/dbraw/zinc/58/31/76/949583176.db2.gz BVAGSVSNHFTXTE-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575544235 949583157 /nfs/dbraw/zinc/58/31/57/949583157.db2.gz BVAGSVSNHFTXTE-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575544401 949583619 /nfs/dbraw/zinc/58/36/19/949583619.db2.gz CEGZJBWUKICLTJ-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575544401 949583604 /nfs/dbraw/zinc/58/36/04/949583604.db2.gz CEGZJBWUKICLTJ-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575544404 949581770 /nfs/dbraw/zinc/58/17/70/949581770.db2.gz CEGZJBWUKICLTJ-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575544404 949581757 /nfs/dbraw/zinc/58/17/57/949581757.db2.gz CEGZJBWUKICLTJ-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575544540 949588154 /nfs/dbraw/zinc/58/81/54/949588154.db2.gz FJPULXUYKXEMEB-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCNC(=O)C1 ZINC001575544540 949588141 /nfs/dbraw/zinc/58/81/41/949588141.db2.gz FJPULXUYKXEMEB-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575544542 949587286 /nfs/dbraw/zinc/58/72/86/949587286.db2.gz FJPULXUYKXEMEB-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCNC(=O)C1 ZINC001575544542 949587272 /nfs/dbraw/zinc/58/72/72/949587272.db2.gz FJPULXUYKXEMEB-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCNC(=O)C1 ZINC001575544959 949592155 /nfs/dbraw/zinc/59/21/55/949592155.db2.gz ICJLUYWZWDYMBT-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCNC(=O)C1 ZINC001575544959 949592136 /nfs/dbraw/zinc/59/21/36/949592136.db2.gz ICJLUYWZWDYMBT-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCNC(=O)C1 ZINC001575544960 949593457 /nfs/dbraw/zinc/59/34/57/949593457.db2.gz ICJLUYWZWDYMBT-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCNC(=O)C1 ZINC001575544960 949593444 /nfs/dbraw/zinc/59/34/44/949593444.db2.gz ICJLUYWZWDYMBT-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCNC1=O ZINC001575545209 949597245 /nfs/dbraw/zinc/59/72/45/949597245.db2.gz JBMBFQGGMNWXGN-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCNC1=O ZINC001575545209 949597228 /nfs/dbraw/zinc/59/72/28/949597228.db2.gz JBMBFQGGMNWXGN-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCNC1=O ZINC001575545212 949597946 /nfs/dbraw/zinc/59/79/46/949597946.db2.gz JBMBFQGGMNWXGN-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCNC1=O ZINC001575545212 949597939 /nfs/dbraw/zinc/59/79/39/949597939.db2.gz JBMBFQGGMNWXGN-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCNC1=O ZINC001575545215 949598294 /nfs/dbraw/zinc/59/82/94/949598294.db2.gz JBMBFQGGMNWXGN-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCNC1=O ZINC001575545215 949598291 /nfs/dbraw/zinc/59/82/91/949598291.db2.gz JBMBFQGGMNWXGN-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCNC1=O ZINC001575545218 949598356 /nfs/dbraw/zinc/59/83/56/949598356.db2.gz JBMBFQGGMNWXGN-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCNC1=O ZINC001575545218 949598337 /nfs/dbraw/zinc/59/83/37/949598337.db2.gz JBMBFQGGMNWXGN-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575545526 949599778 /nfs/dbraw/zinc/59/97/78/949599778.db2.gz LGHBXLYZWGIMHN-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575545526 949599758 /nfs/dbraw/zinc/59/97/58/949599758.db2.gz LGHBXLYZWGIMHN-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575545527 949602219 /nfs/dbraw/zinc/60/22/19/949602219.db2.gz LGHBXLYZWGIMHN-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575545527 949602211 /nfs/dbraw/zinc/60/22/11/949602211.db2.gz LGHBXLYZWGIMHN-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575545529 949602646 /nfs/dbraw/zinc/60/26/46/949602646.db2.gz LGHBXLYZWGIMHN-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575545529 949602640 /nfs/dbraw/zinc/60/26/40/949602640.db2.gz LGHBXLYZWGIMHN-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575545530 949600514 /nfs/dbraw/zinc/60/05/14/949600514.db2.gz LGHBXLYZWGIMHN-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575545530 949600506 /nfs/dbraw/zinc/60/05/06/949600506.db2.gz LGHBXLYZWGIMHN-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575546167 949608968 /nfs/dbraw/zinc/60/89/68/949608968.db2.gz PCZYHUQZDUSYJB-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575546167 949608961 /nfs/dbraw/zinc/60/89/61/949608961.db2.gz PCZYHUQZDUSYJB-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575546169 949609329 /nfs/dbraw/zinc/60/93/29/949609329.db2.gz PCZYHUQZDUSYJB-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575546169 949609321 /nfs/dbraw/zinc/60/93/21/949609321.db2.gz PCZYHUQZDUSYJB-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575546174 949608066 /nfs/dbraw/zinc/60/80/66/949608066.db2.gz PCZYHUQZDUSYJB-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575546174 949608048 /nfs/dbraw/zinc/60/80/48/949608048.db2.gz PCZYHUQZDUSYJB-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575546179 949608460 /nfs/dbraw/zinc/60/84/60/949608460.db2.gz PCZYHUQZDUSYJB-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575546179 949608446 /nfs/dbraw/zinc/60/84/46/949608446.db2.gz PCZYHUQZDUSYJB-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575546459 949613831 /nfs/dbraw/zinc/61/38/31/949613831.db2.gz QNDURNWSCBPQKI-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575546459 949613823 /nfs/dbraw/zinc/61/38/23/949613823.db2.gz QNDURNWSCBPQKI-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575546462 949612004 /nfs/dbraw/zinc/61/20/04/949612004.db2.gz QNDURNWSCBPQKI-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575546462 949611993 /nfs/dbraw/zinc/61/19/93/949611993.db2.gz QNDURNWSCBPQKI-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575546466 949614984 /nfs/dbraw/zinc/61/49/84/949614984.db2.gz QNDURNWSCBPQKI-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575546466 949614973 /nfs/dbraw/zinc/61/49/73/949614973.db2.gz QNDURNWSCBPQKI-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575546470 949614028 /nfs/dbraw/zinc/61/40/28/949614028.db2.gz QNDURNWSCBPQKI-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575546470 949614014 /nfs/dbraw/zinc/61/40/14/949614014.db2.gz QNDURNWSCBPQKI-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCNC(=O)C1 ZINC001575546567 949613410 /nfs/dbraw/zinc/61/34/10/949613410.db2.gz RAUFOICTXNLBFR-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575546567 949613401 /nfs/dbraw/zinc/61/34/01/949613401.db2.gz RAUFOICTXNLBFR-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCNC(=O)C1 ZINC001575546572 949614810 /nfs/dbraw/zinc/61/48/10/949614810.db2.gz RAUFOICTXNLBFR-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575546572 949614798 /nfs/dbraw/zinc/61/47/98/949614798.db2.gz RAUFOICTXNLBFR-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCNC(=O)C1 ZINC001575546576 949611923 /nfs/dbraw/zinc/61/19/23/949611923.db2.gz RAUFOICTXNLBFR-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575546576 949611910 /nfs/dbraw/zinc/61/19/10/949611910.db2.gz RAUFOICTXNLBFR-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCNC(=O)C1 ZINC001575546580 949613328 /nfs/dbraw/zinc/61/33/28/949613328.db2.gz RAUFOICTXNLBFR-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575546580 949613316 /nfs/dbraw/zinc/61/33/16/949613316.db2.gz RAUFOICTXNLBFR-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575546970 949616319 /nfs/dbraw/zinc/61/63/19/949616319.db2.gz UFFGDKNLFGABCK-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575546971 949618648 /nfs/dbraw/zinc/61/86/48/949618648.db2.gz UFFGDKNLFGABCK-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575547216 949621436 /nfs/dbraw/zinc/62/14/36/949621436.db2.gz WBNVXOOXOANWHB-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575547218 949623434 /nfs/dbraw/zinc/62/34/34/949623434.db2.gz WBNVXOOXOANWHB-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575547482 949626531 /nfs/dbraw/zinc/62/65/31/949626531.db2.gz XLFBMJJLCQZXEE-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575547482 949626523 /nfs/dbraw/zinc/62/65/23/949626523.db2.gz XLFBMJJLCQZXEE-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575547483 949624904 /nfs/dbraw/zinc/62/49/04/949624904.db2.gz XLFBMJJLCQZXEE-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575547483 949624890 /nfs/dbraw/zinc/62/48/90/949624890.db2.gz XLFBMJJLCQZXEE-DIFFPNOSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575547484 949626648 /nfs/dbraw/zinc/62/66/48/949626648.db2.gz XLFBMJJLCQZXEE-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575547484 949626636 /nfs/dbraw/zinc/62/66/36/949626636.db2.gz XLFBMJJLCQZXEE-GTNSWQLSSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575547485 949625641 /nfs/dbraw/zinc/62/56/41/949625641.db2.gz XLFBMJJLCQZXEE-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575547485 949625623 /nfs/dbraw/zinc/62/56/23/949625623.db2.gz XLFBMJJLCQZXEE-PIGZYNQJSA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCC(=O)NC1 ZINC001575547500 949625330 /nfs/dbraw/zinc/62/53/30/949625330.db2.gz XROBTYZOZNWOLM-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@]1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCC(=O)NC1 ZINC001575547500 949625315 /nfs/dbraw/zinc/62/53/15/949625315.db2.gz XROBTYZOZNWOLM-KRWDZBQOSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCC(=O)NC1 ZINC001575547501 949625865 /nfs/dbraw/zinc/62/58/65/949625865.db2.gz XROBTYZOZNWOLM-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCC(=O)NC1 ZINC001575547501 949625860 /nfs/dbraw/zinc/62/58/60/949625860.db2.gz XROBTYZOZNWOLM-QGZVFWFLSA-N -1 1 385.432 -0.388 20 0 GBADMM C[C@@]1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCS1(=O)=O ZINC001575547579 949632219 /nfs/dbraw/zinc/63/22/19/949632219.db2.gz AYJZZQXJGUURHR-HNNXBMFYSA-N -1 1 392.445 -0.727 20 0 GBADMM C[C@@]1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCS1(=O)=O ZINC001575547579 949632206 /nfs/dbraw/zinc/63/22/06/949632206.db2.gz AYJZZQXJGUURHR-HNNXBMFYSA-N -1 1 392.445 -0.727 20 0 GBADMM C[C@]1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCS1(=O)=O ZINC001575547580 949632245 /nfs/dbraw/zinc/63/22/45/949632245.db2.gz AYJZZQXJGUURHR-OAHLLOKOSA-N -1 1 392.445 -0.727 20 0 GBADMM C[C@]1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCS1(=O)=O ZINC001575547580 949632235 /nfs/dbraw/zinc/63/22/35/949632235.db2.gz AYJZZQXJGUURHR-OAHLLOKOSA-N -1 1 392.445 -0.727 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575547817 949643540 /nfs/dbraw/zinc/64/35/40/949643540.db2.gz LJZPWJUAGPBDBI-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575547817 949643527 /nfs/dbraw/zinc/64/35/27/949643527.db2.gz LJZPWJUAGPBDBI-APPDUMDISA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 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GBADMM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575548304 949668918 /nfs/dbraw/zinc/66/89/18/949668918.db2.gz ZNTBOEAZZPXWRX-DIFFPNOSSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575548305 949670046 /nfs/dbraw/zinc/67/00/46/949670046.db2.gz ZNTBOEAZZPXWRX-PIGZYNQJSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@]1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCNC1=O ZINC001575548384 949672217 /nfs/dbraw/zinc/67/22/17/949672217.db2.gz ZCMMCYIYLAHGJI-KRWDZBQOSA-N -1 1 386.416 -0.093 20 0 GBADMM C[C@@]1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCNC1=O ZINC001575548385 949672560 /nfs/dbraw/zinc/67/25/60/949672560.db2.gz ZCMMCYIYLAHGJI-QGZVFWFLSA-N -1 1 386.416 -0.093 20 0 GBADMM C[C@@]1(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCS1(=O)=O ZINC001575548410 949674810 /nfs/dbraw/zinc/67/48/10/949674810.db2.gz ZVWDCMWQCJZZLF-HNNXBMFYSA-N -1 1 392.445 -0.727 20 0 GBADMM C[C@@]1(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCS1(=O)=O 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/nfs/dbraw/zinc/68/22/68/949682268.db2.gz GXHOTXMICHIYBQ-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575552673 949682258 /nfs/dbraw/zinc/68/22/58/949682258.db2.gz GXHOTXMICHIYBQ-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575552836 949683202 /nfs/dbraw/zinc/68/32/02/949683202.db2.gz JQPWQMQGQXKTFT-DINDLPBHSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575552836 949683183 /nfs/dbraw/zinc/68/31/83/949683183.db2.gz JQPWQMQGQXKTFT-DINDLPBHSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575552839 949682885 /nfs/dbraw/zinc/68/28/85/949682885.db2.gz JQPWQMQGQXKTFT-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575552839 949682862 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/nfs/dbraw/zinc/70/40/66/949704066.db2.gz XNOONBJERREWNJ-DINDLPBHSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575555236 949704049 /nfs/dbraw/zinc/70/40/49/949704049.db2.gz XNOONBJERREWNJ-DINDLPBHSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575555239 949702873 /nfs/dbraw/zinc/70/28/73/949702873.db2.gz XNOONBJERREWNJ-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575555239 949702849 /nfs/dbraw/zinc/70/28/49/949702849.db2.gz XNOONBJERREWNJ-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575555278 949703057 /nfs/dbraw/zinc/70/30/57/949703057.db2.gz YORCFGLEZQGAEJ-DINDLPBHSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575555278 949703038 /nfs/dbraw/zinc/70/30/38/949703038.db2.gz YORCFGLEZQGAEJ-DINDLPBHSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575555281 949701740 /nfs/dbraw/zinc/70/17/40/949701740.db2.gz YORCFGLEZQGAEJ-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575555281 949701724 /nfs/dbraw/zinc/70/17/24/949701724.db2.gz YORCFGLEZQGAEJ-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575555311 949701471 /nfs/dbraw/zinc/70/14/71/949701471.db2.gz ZULRDZFXBDXPFY-DINDLPBHSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575555311 949701458 /nfs/dbraw/zinc/70/14/58/949701458.db2.gz ZULRDZFXBDXPFY-DINDLPBHSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575555313 949703909 /nfs/dbraw/zinc/70/39/09/949703909.db2.gz ZULRDZFXBDXPFY-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575555313 949703894 /nfs/dbraw/zinc/70/38/94/949703894.db2.gz ZULRDZFXBDXPFY-PSVSLLHZSA-N -1 1 383.416 -0.638 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC(=O)NC1 ZINC001575557214 949713059 /nfs/dbraw/zinc/71/30/59/949713059.db2.gz DJOWTFGBIAOXIQ-PXAZEXFGSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC(=O)NC1 ZINC001575557214 949713044 /nfs/dbraw/zinc/71/30/44/949713044.db2.gz DJOWTFGBIAOXIQ-PXAZEXFGSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC(=O)NC1 ZINC001575557215 949711950 /nfs/dbraw/zinc/71/19/50/949711950.db2.gz DJOWTFGBIAOXIQ-SJCJKPOMSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC(=O)NC1 ZINC001575557215 949711928 /nfs/dbraw/zinc/71/19/28/949711928.db2.gz DJOWTFGBIAOXIQ-SJCJKPOMSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC(=O)NC1 ZINC001575557216 949711222 /nfs/dbraw/zinc/71/12/22/949711222.db2.gz DJOWTFGBIAOXIQ-SJKOYZFVSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC(=O)NC1 ZINC001575557216 949711207 /nfs/dbraw/zinc/71/12/07/949711207.db2.gz DJOWTFGBIAOXIQ-SJKOYZFVSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC(=O)NC1 ZINC001575557217 949710852 /nfs/dbraw/zinc/71/08/52/949710852.db2.gz DJOWTFGBIAOXIQ-YVEFUNNKSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC(=O)NC1 ZINC001575557217 949710840 /nfs/dbraw/zinc/71/08/40/949710840.db2.gz DJOWTFGBIAOXIQ-YVEFUNNKSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575557253 949713007 /nfs/dbraw/zinc/71/30/07/949713007.db2.gz FNPLKQAKLGFFQQ-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575557253 949712992 /nfs/dbraw/zinc/71/29/92/949712992.db2.gz FNPLKQAKLGFFQQ-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575557254 949711884 /nfs/dbraw/zinc/71/18/84/949711884.db2.gz FNPLKQAKLGFFQQ-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575557254 949711866 /nfs/dbraw/zinc/71/18/66/949711866.db2.gz FNPLKQAKLGFFQQ-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575557255 949711043 /nfs/dbraw/zinc/71/10/43/949711043.db2.gz FNPLKQAKLGFFQQ-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575557255 949711033 /nfs/dbraw/zinc/71/10/33/949711033.db2.gz FNPLKQAKLGFFQQ-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575557256 949709783 /nfs/dbraw/zinc/70/97/83/949709783.db2.gz FNPLKQAKLGFFQQ-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575557256 949709766 /nfs/dbraw/zinc/70/97/66/949709766.db2.gz FNPLKQAKLGFFQQ-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575557291 949714782 /nfs/dbraw/zinc/71/47/82/949714782.db2.gz GKENLRVXVSUJPB-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575557291 949714761 /nfs/dbraw/zinc/71/47/61/949714761.db2.gz GKENLRVXVSUJPB-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575557292 949714552 /nfs/dbraw/zinc/71/45/52/949714552.db2.gz GKENLRVXVSUJPB-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575557292 949714539 /nfs/dbraw/zinc/71/45/39/949714539.db2.gz GKENLRVXVSUJPB-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575557293 949718043 /nfs/dbraw/zinc/71/80/43/949718043.db2.gz GKENLRVXVSUJPB-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575557293 949718030 /nfs/dbraw/zinc/71/80/30/949718030.db2.gz GKENLRVXVSUJPB-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575557294 949716974 /nfs/dbraw/zinc/71/69/74/949716974.db2.gz GKENLRVXVSUJPB-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575557294 949716961 /nfs/dbraw/zinc/71/69/61/949716961.db2.gz GKENLRVXVSUJPB-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575557364 949722036 /nfs/dbraw/zinc/72/20/36/949722036.db2.gz IENPLOOFCXQPGZ-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575557364 949722021 /nfs/dbraw/zinc/72/20/21/949722021.db2.gz IENPLOOFCXQPGZ-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575557365 949719750 /nfs/dbraw/zinc/71/97/50/949719750.db2.gz IENPLOOFCXQPGZ-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575557365 949719730 /nfs/dbraw/zinc/71/97/30/949719730.db2.gz IENPLOOFCXQPGZ-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575557366 949720482 /nfs/dbraw/zinc/72/04/82/949720482.db2.gz IENPLOOFCXQPGZ-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575557366 949720450 /nfs/dbraw/zinc/72/04/50/949720450.db2.gz IENPLOOFCXQPGZ-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575557367 949722706 /nfs/dbraw/zinc/72/27/06/949722706.db2.gz IENPLOOFCXQPGZ-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575557367 949722691 /nfs/dbraw/zinc/72/26/91/949722691.db2.gz IENPLOOFCXQPGZ-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575557393 949720576 /nfs/dbraw/zinc/72/05/76/949720576.db2.gz IWLOGPJODCIYLX-PXAZEXFGSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575557393 949720550 /nfs/dbraw/zinc/72/05/50/949720550.db2.gz IWLOGPJODCIYLX-PXAZEXFGSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575557394 949722822 /nfs/dbraw/zinc/72/28/22/949722822.db2.gz IWLOGPJODCIYLX-SJCJKPOMSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575557394 949722811 /nfs/dbraw/zinc/72/28/11/949722811.db2.gz IWLOGPJODCIYLX-SJCJKPOMSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575557395 949720901 /nfs/dbraw/zinc/72/09/01/949720901.db2.gz IWLOGPJODCIYLX-SJKOYZFVSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575557395 949720882 /nfs/dbraw/zinc/72/08/82/949720882.db2.gz IWLOGPJODCIYLX-SJKOYZFVSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575557396 949723390 /nfs/dbraw/zinc/72/33/90/949723390.db2.gz IWLOGPJODCIYLX-YVEFUNNKSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575557396 949723369 /nfs/dbraw/zinc/72/33/69/949723369.db2.gz IWLOGPJODCIYLX-YVEFUNNKSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575557688 949728611 /nfs/dbraw/zinc/72/86/11/949728611.db2.gz LJRMBOZLJULMGS-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575557688 949728591 /nfs/dbraw/zinc/72/85/91/949728591.db2.gz LJRMBOZLJULMGS-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575557690 949727503 /nfs/dbraw/zinc/72/75/03/949727503.db2.gz LJRMBOZLJULMGS-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575557690 949727483 /nfs/dbraw/zinc/72/74/83/949727483.db2.gz LJRMBOZLJULMGS-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575557691 949728235 /nfs/dbraw/zinc/72/82/35/949728235.db2.gz LJRMBOZLJULMGS-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575557691 949728217 /nfs/dbraw/zinc/72/82/17/949728217.db2.gz LJRMBOZLJULMGS-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575557692 949728721 /nfs/dbraw/zinc/72/87/21/949728721.db2.gz LJRMBOZLJULMGS-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575557692 949728710 /nfs/dbraw/zinc/72/87/10/949728710.db2.gz LJRMBOZLJULMGS-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)CCNC1=O ZINC001575557719 949726850 /nfs/dbraw/zinc/72/68/50/949726850.db2.gz LUDZVASVZYGZMZ-CNOZUTPLSA-N -1 1 397.443 -0.532 20 0 GBADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@@]3(C)C2)CCNC1=O ZINC001575557719 949726836 /nfs/dbraw/zinc/72/68/36/949726836.db2.gz LUDZVASVZYGZMZ-CNOZUTPLSA-N -1 1 397.443 -0.532 20 0 GBADMM C[C@]12CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575557720 949727433 /nfs/dbraw/zinc/72/74/33/949727433.db2.gz LUDZVASVZYGZMZ-VQTKTOELSA-N -1 1 397.443 -0.532 20 0 GBADMM C[C@]12CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575557720 949727414 /nfs/dbraw/zinc/72/74/14/949727414.db2.gz LUDZVASVZYGZMZ-VQTKTOELSA-N -1 1 397.443 -0.532 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575558067 949731785 /nfs/dbraw/zinc/73/17/85/949731785.db2.gz NZFBTQCFAQLWGB-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575558067 949731769 /nfs/dbraw/zinc/73/17/69/949731769.db2.gz NZFBTQCFAQLWGB-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575558068 949732615 /nfs/dbraw/zinc/73/26/15/949732615.db2.gz NZFBTQCFAQLWGB-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575558068 949732595 /nfs/dbraw/zinc/73/25/95/949732595.db2.gz NZFBTQCFAQLWGB-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575558069 949730853 /nfs/dbraw/zinc/73/08/53/949730853.db2.gz NZFBTQCFAQLWGB-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575558069 949730840 /nfs/dbraw/zinc/73/08/40/949730840.db2.gz NZFBTQCFAQLWGB-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575558070 949732772 /nfs/dbraw/zinc/73/27/72/949732772.db2.gz NZFBTQCFAQLWGB-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575558070 949732736 /nfs/dbraw/zinc/73/27/36/949732736.db2.gz NZFBTQCFAQLWGB-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575558389 949738237 /nfs/dbraw/zinc/73/82/37/949738237.db2.gz OZQONLKIUZAWNP-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575558389 949738217 /nfs/dbraw/zinc/73/82/17/949738217.db2.gz OZQONLKIUZAWNP-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575558390 949736844 /nfs/dbraw/zinc/73/68/44/949736844.db2.gz OZQONLKIUZAWNP-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575558390 949736835 /nfs/dbraw/zinc/73/68/35/949736835.db2.gz OZQONLKIUZAWNP-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575558391 949738169 /nfs/dbraw/zinc/73/81/69/949738169.db2.gz OZQONLKIUZAWNP-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 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APKLSCDPMWGLIG-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575559251 949751266 /nfs/dbraw/zinc/75/12/66/949751266.db2.gz APKLSCDPMWGLIG-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575559309 949754688 /nfs/dbraw/zinc/75/46/88/949754688.db2.gz ATORNPCFEWGISY-IGCAFJPESA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575559311 949754794 /nfs/dbraw/zinc/75/47/94/949754794.db2.gz ATORNPCFEWGISY-NQMJSUOBSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575559557 949758863 /nfs/dbraw/zinc/75/88/63/949758863.db2.gz WHQHDCZPRXFIAD-APPDUMDISA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575559558 949757955 /nfs/dbraw/zinc/75/79/55/949757955.db2.gz WHQHDCZPRXFIAD-DIFFPNOSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575559559 949760804 /nfs/dbraw/zinc/76/08/04/949760804.db2.gz WHQHDCZPRXFIAD-GTNSWQLSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575559562 949759804 /nfs/dbraw/zinc/75/98/04/949759804.db2.gz WHQHDCZPRXFIAD-PIGZYNQJSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575559640 949758035 /nfs/dbraw/zinc/75/80/35/949758035.db2.gz XCFAGGHZAKOYSI-APPDUMDISA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575559641 949758810 /nfs/dbraw/zinc/75/88/10/949758810.db2.gz XCFAGGHZAKOYSI-DIFFPNOSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575559642 949757731 /nfs/dbraw/zinc/75/77/31/949757731.db2.gz XCFAGGHZAKOYSI-GTNSWQLSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575559643 949761148 /nfs/dbraw/zinc/76/11/48/949761148.db2.gz XCFAGGHZAKOYSI-PIGZYNQJSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575559701 949762862 /nfs/dbraw/zinc/76/28/62/949762862.db2.gz DLGLNDLZNBTUIB-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575559701 949762840 /nfs/dbraw/zinc/76/28/40/949762840.db2.gz DLGLNDLZNBTUIB-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575559702 949764458 /nfs/dbraw/zinc/76/44/58/949764458.db2.gz DLGLNDLZNBTUIB-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575559702 949764432 /nfs/dbraw/zinc/76/44/32/949764432.db2.gz DLGLNDLZNBTUIB-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575559784 949767882 /nfs/dbraw/zinc/76/78/82/949767882.db2.gz HGXLTLUBEQCPHP-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575559784 949767857 /nfs/dbraw/zinc/76/78/57/949767857.db2.gz HGXLTLUBEQCPHP-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575559972 949771186 /nfs/dbraw/zinc/77/11/86/949771186.db2.gz HGXLTLUBEQCPHP-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575559972 949771175 /nfs/dbraw/zinc/77/11/75/949771175.db2.gz HGXLTLUBEQCPHP-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575560085 949776351 /nfs/dbraw/zinc/77/63/51/949776351.db2.gz KBXHDQZNNHFSGJ-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575560085 949776336 /nfs/dbraw/zinc/77/63/36/949776336.db2.gz KBXHDQZNNHFSGJ-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575560086 949778336 /nfs/dbraw/zinc/77/83/36/949778336.db2.gz KBXHDQZNNHFSGJ-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575560086 949778321 /nfs/dbraw/zinc/77/83/21/949778321.db2.gz KBXHDQZNNHFSGJ-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575560787 949791924 /nfs/dbraw/zinc/79/19/24/949791924.db2.gz UDWNMCAJZQTXJO-IGCAFJPESA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575560790 949791211 /nfs/dbraw/zinc/79/12/11/949791211.db2.gz UDWNMCAJZQTXJO-NQMJSUOBSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575562317 949822410 /nfs/dbraw/zinc/82/24/10/949822410.db2.gz FMMFYHBWWWKFRI-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575562317 949822388 /nfs/dbraw/zinc/82/23/88/949822388.db2.gz FMMFYHBWWWKFRI-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575562320 949820492 /nfs/dbraw/zinc/82/04/92/949820492.db2.gz FMMFYHBWWWKFRI-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575562320 949820471 /nfs/dbraw/zinc/82/04/71/949820471.db2.gz FMMFYHBWWWKFRI-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575562323 949823051 /nfs/dbraw/zinc/82/30/51/949823051.db2.gz FMMFYHBWWWKFRI-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575562323 949823030 /nfs/dbraw/zinc/82/30/30/949823030.db2.gz FMMFYHBWWWKFRI-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575562326 949819925 /nfs/dbraw/zinc/81/99/25/949819925.db2.gz FMMFYHBWWWKFRI-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575562326 949819907 /nfs/dbraw/zinc/81/99/07/949819907.db2.gz FMMFYHBWWWKFRI-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575562758 949833715 /nfs/dbraw/zinc/83/37/15/949833715.db2.gz IOAFLEVSVLTAEI-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575562758 949833695 /nfs/dbraw/zinc/83/36/95/949833695.db2.gz IOAFLEVSVLTAEI-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575562762 949831227 /nfs/dbraw/zinc/83/12/27/949831227.db2.gz IOAFLEVSVLTAEI-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575562762 949831210 /nfs/dbraw/zinc/83/12/10/949831210.db2.gz IOAFLEVSVLTAEI-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575562765 949834289 /nfs/dbraw/zinc/83/42/89/949834289.db2.gz IOAFLEVSVLTAEI-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575562765 949834271 /nfs/dbraw/zinc/83/42/71/949834271.db2.gz IOAFLEVSVLTAEI-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575562770 949833510 /nfs/dbraw/zinc/83/35/10/949833510.db2.gz IOAFLEVSVLTAEI-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575562770 949833487 /nfs/dbraw/zinc/83/34/87/949833487.db2.gz IOAFLEVSVLTAEI-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575563222 949837299 /nfs/dbraw/zinc/83/72/99/949837299.db2.gz JVIVVKOFXKKOSG-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575563222 949837279 /nfs/dbraw/zinc/83/72/79/949837279.db2.gz JVIVVKOFXKKOSG-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575563224 949838765 /nfs/dbraw/zinc/83/87/65/949838765.db2.gz JVIVVKOFXKKOSG-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575563224 949838737 /nfs/dbraw/zinc/83/87/37/949838737.db2.gz JVIVVKOFXKKOSG-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575563227 949835145 /nfs/dbraw/zinc/83/51/45/949835145.db2.gz JVIVVKOFXKKOSG-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575563227 949835132 /nfs/dbraw/zinc/83/51/32/949835132.db2.gz JVIVVKOFXKKOSG-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575563229 949836941 /nfs/dbraw/zinc/83/69/41/949836941.db2.gz JVIVVKOFXKKOSG-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575563229 949836930 /nfs/dbraw/zinc/83/69/30/949836930.db2.gz JVIVVKOFXKKOSG-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575563876 949848656 /nfs/dbraw/zinc/84/86/56/949848656.db2.gz MXCTWTDECBYWAP-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575563876 949848638 /nfs/dbraw/zinc/84/86/38/949848638.db2.gz MXCTWTDECBYWAP-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575563879 949850202 /nfs/dbraw/zinc/85/02/02/949850202.db2.gz MXCTWTDECBYWAP-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575563879 949850169 /nfs/dbraw/zinc/85/01/69/949850169.db2.gz MXCTWTDECBYWAP-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575563883 949851107 /nfs/dbraw/zinc/85/11/07/949851107.db2.gz MXCTWTDECBYWAP-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575563883 949851081 /nfs/dbraw/zinc/85/10/81/949851081.db2.gz MXCTWTDECBYWAP-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575563886 949846729 /nfs/dbraw/zinc/84/67/29/949846729.db2.gz MXCTWTDECBYWAP-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575563886 949846702 /nfs/dbraw/zinc/84/67/02/949846702.db2.gz MXCTWTDECBYWAP-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575565188 949875478 /nfs/dbraw/zinc/87/54/78/949875478.db2.gz UTFOMSLEKKYFDG-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575565188 949875445 /nfs/dbraw/zinc/87/54/45/949875445.db2.gz UTFOMSLEKKYFDG-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575565192 949875111 /nfs/dbraw/zinc/87/51/11/949875111.db2.gz UTFOMSLEKKYFDG-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575565192 949875085 /nfs/dbraw/zinc/87/50/85/949875085.db2.gz UTFOMSLEKKYFDG-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575565195 949879126 /nfs/dbraw/zinc/87/91/26/949879126.db2.gz UTFOMSLEKKYFDG-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575565195 949879098 /nfs/dbraw/zinc/87/90/98/949879098.db2.gz UTFOMSLEKKYFDG-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575565197 949876262 /nfs/dbraw/zinc/87/62/62/949876262.db2.gz UTFOMSLEKKYFDG-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575565197 949876232 /nfs/dbraw/zinc/87/62/32/949876232.db2.gz UTFOMSLEKKYFDG-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)CCOCC1 ZINC001575568538 949891761 /nfs/dbraw/zinc/89/17/61/949891761.db2.gz AJVHAVVPZXWYAV-AAEUAGOBSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)CCOCC1 ZINC001575568538 949891748 /nfs/dbraw/zinc/89/17/48/949891748.db2.gz AJVHAVVPZXWYAV-AAEUAGOBSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)CCOCC1 ZINC001575568540 949891220 /nfs/dbraw/zinc/89/12/20/949891220.db2.gz AJVHAVVPZXWYAV-DGCLKSJQSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)CCOCC1 ZINC001575568540 949891197 /nfs/dbraw/zinc/89/11/97/949891197.db2.gz AJVHAVVPZXWYAV-DGCLKSJQSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)CCOCC1 ZINC001575568543 949894453 /nfs/dbraw/zinc/89/44/53/949894453.db2.gz AJVHAVVPZXWYAV-WCQYABFASA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)CCOCC1 ZINC001575568543 949894430 /nfs/dbraw/zinc/89/44/30/949894430.db2.gz AJVHAVVPZXWYAV-WCQYABFASA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)CCOCC1 ZINC001575568545 949893276 /nfs/dbraw/zinc/89/32/76/949893276.db2.gz AJVHAVVPZXWYAV-YPMHNXCESA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)CCOCC1 ZINC001575568545 949893251 /nfs/dbraw/zinc/89/32/51/949893251.db2.gz AJVHAVVPZXWYAV-YPMHNXCESA-N -1 1 388.432 -0.471 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575568945 949903939 /nfs/dbraw/zinc/90/39/39/949903939.db2.gz DUGMWDJVEFGNLL-BMIGLBTASA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575568946 949901912 /nfs/dbraw/zinc/90/19/12/949901912.db2.gz DUGMWDJVEFGNLL-BONVTDFDSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575568947 949903787 /nfs/dbraw/zinc/90/37/87/949903787.db2.gz DUGMWDJVEFGNLL-MEBBXXQBSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575568948 949903189 /nfs/dbraw/zinc/90/31/89/949903189.db2.gz DUGMWDJVEFGNLL-ZUZCIYMTSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575569285 949912664 /nfs/dbraw/zinc/91/26/64/949912664.db2.gz HOKNADUALXBCPQ-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575569285 949912650 /nfs/dbraw/zinc/91/26/50/949912650.db2.gz HOKNADUALXBCPQ-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575569286 949912510 /nfs/dbraw/zinc/91/25/10/949912510.db2.gz HOKNADUALXBCPQ-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575569286 949912494 /nfs/dbraw/zinc/91/24/94/949912494.db2.gz HOKNADUALXBCPQ-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575569305 949915319 /nfs/dbraw/zinc/91/53/19/949915319.db2.gz IGMZVTZFZVCNSI-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCC(=O)NC1 ZINC001575569305 949915303 /nfs/dbraw/zinc/91/53/03/949915303.db2.gz IGMZVTZFZVCNSI-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCC(=O)NC1 ZINC001575569306 949911290 /nfs/dbraw/zinc/91/12/90/949911290.db2.gz IGMZVTZFZVCNSI-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCC(=O)NC1 ZINC001575569306 949911266 /nfs/dbraw/zinc/91/12/66/949911266.db2.gz IGMZVTZFZVCNSI-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575569471 949918401 /nfs/dbraw/zinc/91/84/01/949918401.db2.gz JXTHAXJSKAHKQD-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575569472 949917308 /nfs/dbraw/zinc/91/73/08/949917308.db2.gz JXTHAXJSKAHKQD-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CCOCC1 ZINC001575569652 949922896 /nfs/dbraw/zinc/92/28/96/949922896.db2.gz MMYVUQSLCFJLHE-NEPJUHHUSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CCOCC1 ZINC001575569653 949924035 /nfs/dbraw/zinc/92/40/35/949924035.db2.gz MMYVUQSLCFJLHE-NWDGAFQWSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CCOCC1 ZINC001575569654 949922093 /nfs/dbraw/zinc/92/20/93/949922093.db2.gz MMYVUQSLCFJLHE-RYUDHWBXSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CCOCC1 ZINC001575569655 949922726 /nfs/dbraw/zinc/92/27/26/949922726.db2.gz MMYVUQSLCFJLHE-VXGBXAGGSA-N -1 1 388.432 -0.471 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575570571 949937948 /nfs/dbraw/zinc/93/79/48/949937948.db2.gz SCHLXBJYBTXXEM-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCNC(=O)C1 ZINC001575570571 949937937 /nfs/dbraw/zinc/93/79/37/949937937.db2.gz SCHLXBJYBTXXEM-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCNC(=O)C1 ZINC001575570572 949941407 /nfs/dbraw/zinc/94/14/07/949941407.db2.gz SCHLXBJYBTXXEM-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCNC(=O)C1 ZINC001575570572 949941391 /nfs/dbraw/zinc/94/13/91/949941391.db2.gz SCHLXBJYBTXXEM-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575570855 949944976 /nfs/dbraw/zinc/94/49/76/949944976.db2.gz VFMCSMBPWYJPKH-BMIGLBTASA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575570855 949944959 /nfs/dbraw/zinc/94/49/59/949944959.db2.gz VFMCSMBPWYJPKH-BMIGLBTASA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575570856 949942122 /nfs/dbraw/zinc/94/21/22/949942122.db2.gz VFMCSMBPWYJPKH-BONVTDFDSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575570856 949942112 /nfs/dbraw/zinc/94/21/12/949942112.db2.gz VFMCSMBPWYJPKH-BONVTDFDSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575570857 949944705 /nfs/dbraw/zinc/94/47/05/949944705.db2.gz VFMCSMBPWYJPKH-MEBBXXQBSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575570857 949944690 /nfs/dbraw/zinc/94/46/90/949944690.db2.gz VFMCSMBPWYJPKH-MEBBXXQBSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575570858 949943321 /nfs/dbraw/zinc/94/33/21/949943321.db2.gz VFMCSMBPWYJPKH-ZUZCIYMTSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575570858 949943309 /nfs/dbraw/zinc/94/33/09/949943309.db2.gz VFMCSMBPWYJPKH-ZUZCIYMTSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCNC(=O)C1 ZINC001575570883 949951216 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-1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)CCOCC1 ZINC001575570910 949951162 /nfs/dbraw/zinc/95/11/62/949951162.db2.gz WJXDCCOSTWUXJZ-NWDGAFQWSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)CCOCC1 ZINC001575570910 949951137 /nfs/dbraw/zinc/95/11/37/949951137.db2.gz WJXDCCOSTWUXJZ-NWDGAFQWSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)CCOCC1 ZINC001575570911 949948822 /nfs/dbraw/zinc/94/88/22/949948822.db2.gz WJXDCCOSTWUXJZ-RYUDHWBXSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)CCOCC1 ZINC001575570911 949948808 /nfs/dbraw/zinc/94/88/08/949948808.db2.gz WJXDCCOSTWUXJZ-RYUDHWBXSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)CCOCC1 ZINC001575570912 949951017 /nfs/dbraw/zinc/95/10/17/949951017.db2.gz WJXDCCOSTWUXJZ-VXGBXAGGSA-N -1 1 388.432 -0.471 20 0 GBADMM CC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)CCOCC1 ZINC001575570912 949950989 /nfs/dbraw/zinc/95/09/89/949950989.db2.gz WJXDCCOSTWUXJZ-VXGBXAGGSA-N -1 1 388.432 -0.471 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCC(=O)NC1 ZINC001575571360 949959764 /nfs/dbraw/zinc/95/97/64/949959764.db2.gz ZRXXHXKLPROAMB-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCC(=O)NC1 ZINC001575571360 949959747 /nfs/dbraw/zinc/95/97/47/949959747.db2.gz ZRXXHXKLPROAMB-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCC(=O)NC1 ZINC001575571362 949959438 /nfs/dbraw/zinc/95/94/38/949959438.db2.gz ZRXXHXKLPROAMB-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCC(=O)NC1 ZINC001575571362 949959421 /nfs/dbraw/zinc/95/94/21/949959421.db2.gz ZRXXHXKLPROAMB-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575571369 949957409 /nfs/dbraw/zinc/95/74/09/949957409.db2.gz ZWCBYMUCTCPRLQ-BONVTDFDSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575571369 949957387 /nfs/dbraw/zinc/95/73/87/949957387.db2.gz ZWCBYMUCTCPRLQ-BONVTDFDSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575571371 949958712 /nfs/dbraw/zinc/95/87/12/949958712.db2.gz ZWCBYMUCTCPRLQ-ZUZCIYMTSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575571371 949958700 /nfs/dbraw/zinc/95/87/00/949958700.db2.gz ZWCBYMUCTCPRLQ-ZUZCIYMTSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575571771 949956831 /nfs/dbraw/zinc/95/68/31/949956831.db2.gz ABSOWTKXRLUXQY-PXAZEXFGSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575571771 949956812 /nfs/dbraw/zinc/95/68/12/949956812.db2.gz ABSOWTKXRLUXQY-PXAZEXFGSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575571772 949957041 /nfs/dbraw/zinc/95/70/41/949957041.db2.gz ABSOWTKXRLUXQY-SJCJKPOMSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575571772 949957021 /nfs/dbraw/zinc/95/70/21/949957021.db2.gz ABSOWTKXRLUXQY-SJCJKPOMSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575571773 949957343 /nfs/dbraw/zinc/95/73/43/949957343.db2.gz ABSOWTKXRLUXQY-SJKOYZFVSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575571773 949957323 /nfs/dbraw/zinc/95/73/23/949957323.db2.gz ABSOWTKXRLUXQY-SJKOYZFVSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575571774 949957903 /nfs/dbraw/zinc/95/79/03/949957903.db2.gz ABSOWTKXRLUXQY-YVEFUNNKSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575571774 949957890 /nfs/dbraw/zinc/95/78/90/949957890.db2.gz ABSOWTKXRLUXQY-YVEFUNNKSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575572360 949974838 /nfs/dbraw/zinc/97/48/38/949974838.db2.gz GNSPAHYHKMTMSD-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575572360 949974817 /nfs/dbraw/zinc/97/48/17/949974817.db2.gz GNSPAHYHKMTMSD-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575572361 949973444 /nfs/dbraw/zinc/97/34/44/949973444.db2.gz GNSPAHYHKMTMSD-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575572361 949973427 /nfs/dbraw/zinc/97/34/27/949973427.db2.gz GNSPAHYHKMTMSD-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575572362 949972158 /nfs/dbraw/zinc/97/21/58/949972158.db2.gz GNSPAHYHKMTMSD-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575572362 949972134 /nfs/dbraw/zinc/97/21/34/949972134.db2.gz GNSPAHYHKMTMSD-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575572363 949979467 /nfs/dbraw/zinc/97/94/67/949979467.db2.gz GNSPAHYHKMTMSD-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575572363 949979452 /nfs/dbraw/zinc/97/94/52/949979452.db2.gz GNSPAHYHKMTMSD-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575573012 949988573 /nfs/dbraw/zinc/98/85/73/949988573.db2.gz KRYBMTYSPYGAMX-APPDUMDISA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575573014 949987631 /nfs/dbraw/zinc/98/76/31/949987631.db2.gz KRYBMTYSPYGAMX-DIFFPNOSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575573016 949986481 /nfs/dbraw/zinc/98/64/81/949986481.db2.gz KRYBMTYSPYGAMX-GTNSWQLSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575573019 949986339 /nfs/dbraw/zinc/98/63/39/949986339.db2.gz KRYBMTYSPYGAMX-PIGZYNQJSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575573753 950000311 /nfs/dbraw/zinc/00/03/11/950000311.db2.gz OVQMFLKMPSWVDV-APPDUMDISA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575573754 950002260 /nfs/dbraw/zinc/00/22/60/950002260.db2.gz OVQMFLKMPSWVDV-DIFFPNOSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575573755 950003574 /nfs/dbraw/zinc/00/35/74/950003574.db2.gz OVQMFLKMPSWVDV-GTNSWQLSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575573756 950005176 /nfs/dbraw/zinc/00/51/76/950005176.db2.gz OVQMFLKMPSWVDV-PIGZYNQJSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575573781 950001559 /nfs/dbraw/zinc/00/15/59/950001559.db2.gz PBWWHAOQQYNRGO-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575573781 950001546 /nfs/dbraw/zinc/00/15/46/950001546.db2.gz PBWWHAOQQYNRGO-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575573783 950001620 /nfs/dbraw/zinc/00/16/20/950001620.db2.gz PBWWHAOQQYNRGO-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575573783 950001600 /nfs/dbraw/zinc/00/16/00/950001600.db2.gz PBWWHAOQQYNRGO-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575573785 950004058 /nfs/dbraw/zinc/00/40/58/950004058.db2.gz PBWWHAOQQYNRGO-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575573785 950004043 /nfs/dbraw/zinc/00/40/43/950004043.db2.gz PBWWHAOQQYNRGO-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575573788 950002490 /nfs/dbraw/zinc/00/24/90/950002490.db2.gz PBWWHAOQQYNRGO-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575573788 950002469 /nfs/dbraw/zinc/00/24/69/950002469.db2.gz PBWWHAOQQYNRGO-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575573937 950007434 /nfs/dbraw/zinc/00/74/34/950007434.db2.gz QKUJZNBYTHMUEV-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575573937 950007414 /nfs/dbraw/zinc/00/74/14/950007414.db2.gz QKUJZNBYTHMUEV-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575573939 950007889 /nfs/dbraw/zinc/00/78/89/950007889.db2.gz QKUJZNBYTHMUEV-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575573939 950007867 /nfs/dbraw/zinc/00/78/67/950007867.db2.gz QKUJZNBYTHMUEV-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575573942 950006066 /nfs/dbraw/zinc/00/60/66/950006066.db2.gz QKUJZNBYTHMUEV-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575573942 950006042 /nfs/dbraw/zinc/00/60/42/950006042.db2.gz QKUJZNBYTHMUEV-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575573946 950010197 /nfs/dbraw/zinc/01/01/97/950010197.db2.gz QKUJZNBYTHMUEV-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575573946 950010173 /nfs/dbraw/zinc/01/01/73/950010173.db2.gz QKUJZNBYTHMUEV-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575574018 950007759 /nfs/dbraw/zinc/00/77/59/950007759.db2.gz QWRZUADKSNEDLX-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575574018 950007740 /nfs/dbraw/zinc/00/77/40/950007740.db2.gz QWRZUADKSNEDLX-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575574020 950009879 /nfs/dbraw/zinc/00/98/79/950009879.db2.gz QWRZUADKSNEDLX-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575574020 950009857 /nfs/dbraw/zinc/00/98/57/950009857.db2.gz QWRZUADKSNEDLX-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575574024 950008320 /nfs/dbraw/zinc/00/83/20/950008320.db2.gz QWRZUADKSNEDLX-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575574024 950008299 /nfs/dbraw/zinc/00/82/99/950008299.db2.gz QWRZUADKSNEDLX-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575574028 950008856 /nfs/dbraw/zinc/00/88/56/950008856.db2.gz QWRZUADKSNEDLX-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575574028 950008833 /nfs/dbraw/zinc/00/88/33/950008833.db2.gz QWRZUADKSNEDLX-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001575574311 950011907 /nfs/dbraw/zinc/01/19/07/950011907.db2.gz SUAOSSJZYGJFGF-APPDUMDISA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001575574311 950011889 /nfs/dbraw/zinc/01/18/89/950011889.db2.gz SUAOSSJZYGJFGF-APPDUMDISA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001575574314 950013535 /nfs/dbraw/zinc/01/35/35/950013535.db2.gz SUAOSSJZYGJFGF-DIFFPNOSSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001575574314 950013514 /nfs/dbraw/zinc/01/35/14/950013514.db2.gz SUAOSSJZYGJFGF-DIFFPNOSSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001575574316 950012804 /nfs/dbraw/zinc/01/28/04/950012804.db2.gz SUAOSSJZYGJFGF-GTNSWQLSSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001575574316 950012781 /nfs/dbraw/zinc/01/27/81/950012781.db2.gz SUAOSSJZYGJFGF-GTNSWQLSSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001575574318 950012568 /nfs/dbraw/zinc/01/25/68/950012568.db2.gz SUAOSSJZYGJFGF-PIGZYNQJSA-N -1 1 385.432 -0.486 20 0 GBADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001575574318 950012547 /nfs/dbraw/zinc/01/25/47/950012547.db2.gz SUAOSSJZYGJFGF-PIGZYNQJSA-N -1 1 385.432 -0.486 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC(=O)NC1 ZINC001575574597 950020923 /nfs/dbraw/zinc/02/09/23/950020923.db2.gz XGTRGBHKVRVVIC-PXAZEXFGSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC(=O)NC1 ZINC001575574597 950020905 /nfs/dbraw/zinc/02/09/05/950020905.db2.gz XGTRGBHKVRVVIC-PXAZEXFGSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC(=O)NC1 ZINC001575574598 950022027 /nfs/dbraw/zinc/02/20/27/950022027.db2.gz XGTRGBHKVRVVIC-SJCJKPOMSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC(=O)NC1 ZINC001575574598 950022004 /nfs/dbraw/zinc/02/20/04/950022004.db2.gz XGTRGBHKVRVVIC-SJCJKPOMSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC(=O)NC1 ZINC001575574599 950021890 /nfs/dbraw/zinc/02/18/90/950021890.db2.gz XGTRGBHKVRVVIC-SJKOYZFVSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC(=O)NC1 ZINC001575574599 950021866 /nfs/dbraw/zinc/02/18/66/950021866.db2.gz XGTRGBHKVRVVIC-SJKOYZFVSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC(=O)NC1 ZINC001575574600 950024317 /nfs/dbraw/zinc/02/43/17/950024317.db2.gz XGTRGBHKVRVVIC-YVEFUNNKSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC(=O)NC1 ZINC001575574600 950024296 /nfs/dbraw/zinc/02/42/96/950024296.db2.gz XGTRGBHKVRVVIC-YVEFUNNKSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575575476 950051441 /nfs/dbraw/zinc/05/14/41/950051441.db2.gz JLZCUJCIPVGMSB-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575575476 950051418 /nfs/dbraw/zinc/05/14/18/950051418.db2.gz JLZCUJCIPVGMSB-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575575478 950049036 /nfs/dbraw/zinc/04/90/36/950049036.db2.gz JLZCUJCIPVGMSB-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575575478 950049014 /nfs/dbraw/zinc/04/90/14/950049014.db2.gz JLZCUJCIPVGMSB-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575575480 950050284 /nfs/dbraw/zinc/05/02/84/950050284.db2.gz JLZCUJCIPVGMSB-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575575480 950050262 /nfs/dbraw/zinc/05/02/62/950050262.db2.gz JLZCUJCIPVGMSB-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575575482 950048754 /nfs/dbraw/zinc/04/87/54/950048754.db2.gz JLZCUJCIPVGMSB-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575575482 950048738 /nfs/dbraw/zinc/04/87/38/950048738.db2.gz JLZCUJCIPVGMSB-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575575752 950058174 /nfs/dbraw/zinc/05/81/74/950058174.db2.gz LDRJARGLLMXJIG-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575575752 950058154 /nfs/dbraw/zinc/05/81/54/950058154.db2.gz LDRJARGLLMXJIG-APPDUMDISA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575575754 950058044 /nfs/dbraw/zinc/05/80/44/950058044.db2.gz LDRJARGLLMXJIG-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575575754 950058024 /nfs/dbraw/zinc/05/80/24/950058024.db2.gz LDRJARGLLMXJIG-DIFFPNOSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575575757 950056119 /nfs/dbraw/zinc/05/61/19/950056119.db2.gz LDRJARGLLMXJIG-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575575757 950056097 /nfs/dbraw/zinc/05/60/97/950056097.db2.gz LDRJARGLLMXJIG-GTNSWQLSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575575759 950055150 /nfs/dbraw/zinc/05/51/50/950055150.db2.gz LDRJARGLLMXJIG-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575575759 950055127 /nfs/dbraw/zinc/05/51/27/950055127.db2.gz LDRJARGLLMXJIG-PIGZYNQJSA-N -1 1 385.432 -0.120 20 0 GBADMM CC1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575581958 950087783 /nfs/dbraw/zinc/08/77/83/950087783.db2.gz ABKFIOCSRRJZEA-KRWDZBQOSA-N -1 1 388.432 -0.469 20 0 GBADMM CC1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575581958 950087765 /nfs/dbraw/zinc/08/77/65/950087765.db2.gz ABKFIOCSRRJZEA-KRWDZBQOSA-N -1 1 388.432 -0.469 20 0 GBADMM CC1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575581959 950092659 /nfs/dbraw/zinc/09/26/59/950092659.db2.gz ABKFIOCSRRJZEA-QGZVFWFLSA-N -1 1 388.432 -0.469 20 0 GBADMM CC1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575581959 950092640 /nfs/dbraw/zinc/09/26/40/950092640.db2.gz ABKFIOCSRRJZEA-QGZVFWFLSA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@]1(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575582007 950096789 /nfs/dbraw/zinc/09/67/89/950096789.db2.gz BMRREQOZFMGXMG-DLBZAZTESA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@]1(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575582007 950096760 /nfs/dbraw/zinc/09/67/60/950096760.db2.gz BMRREQOZFMGXMG-DLBZAZTESA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575582008 950095050 /nfs/dbraw/zinc/09/50/50/950095050.db2.gz BMRREQOZFMGXMG-IAGOWNOFSA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575582008 950095030 /nfs/dbraw/zinc/09/50/30/950095030.db2.gz BMRREQOZFMGXMG-IAGOWNOFSA-N -1 1 388.432 -0.469 20 0 GBADMM 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TZYPQAKPKFMUHT-SJORKVTESA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@]1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCOCC2)CCOC1 ZINC001575583815 950154423 /nfs/dbraw/zinc/15/44/23/950154423.db2.gz URMBCVIPNDXYKD-INIZCTEOSA-N -1 1 388.432 -0.418 20 0 GBADMM C[C@@]1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCOCC2)CCOC1 ZINC001575583824 950153832 /nfs/dbraw/zinc/15/38/32/950153832.db2.gz URMBCVIPNDXYKD-MRXNPFEDSA-N -1 1 388.432 -0.418 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575584054 950161218 /nfs/dbraw/zinc/16/12/18/950161218.db2.gz OWFQUUMRHCDCTJ-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575584054 950161205 /nfs/dbraw/zinc/16/12/05/950161205.db2.gz OWFQUUMRHCDCTJ-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575584056 950162614 /nfs/dbraw/zinc/16/26/14/950162614.db2.gz OWFQUUMRHCDCTJ-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575584056 950162597 /nfs/dbraw/zinc/16/25/97/950162597.db2.gz OWFQUUMRHCDCTJ-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575584381 950169136 /nfs/dbraw/zinc/16/91/36/950169136.db2.gz QFCSGGFIRGQJLD-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575584381 950169125 /nfs/dbraw/zinc/16/91/25/950169125.db2.gz QFCSGGFIRGQJLD-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575584382 950170267 /nfs/dbraw/zinc/17/02/67/950170267.db2.gz QFCSGGFIRGQJLD-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575584382 950170246 /nfs/dbraw/zinc/17/02/46/950170246.db2.gz QFCSGGFIRGQJLD-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCCS1(=O)=O ZINC001575584563 950175420 /nfs/dbraw/zinc/17/54/20/950175420.db2.gz XRAREMCMHMZGJQ-AWEZNQCLSA-N -1 1 392.445 -0.315 20 0 GBADMM C[C@@]1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCCS1(=O)=O ZINC001575584563 950175409 /nfs/dbraw/zinc/17/54/09/950175409.db2.gz XRAREMCMHMZGJQ-AWEZNQCLSA-N -1 1 392.445 -0.315 20 0 GBADMM C[C@]1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCCS1(=O)=O ZINC001575584564 950172722 /nfs/dbraw/zinc/17/27/22/950172722.db2.gz XRAREMCMHMZGJQ-CQSZACIVSA-N -1 1 392.445 -0.315 20 0 GBADMM C[C@]1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCCS1(=O)=O ZINC001575584564 950172708 /nfs/dbraw/zinc/17/27/08/950172708.db2.gz XRAREMCMHMZGJQ-CQSZACIVSA-N -1 1 392.445 -0.315 20 0 GBADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCCS1(=O)=O ZINC001575584569 950174783 /nfs/dbraw/zinc/17/47/83/950174783.db2.gz XTGAONRUHPBKCV-AWEZNQCLSA-N -1 1 392.445 -0.315 20 0 GBADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCCS1(=O)=O ZINC001575584569 950174771 /nfs/dbraw/zinc/17/47/71/950174771.db2.gz XTGAONRUHPBKCV-AWEZNQCLSA-N -1 1 392.445 -0.315 20 0 GBADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCCS1(=O)=O ZINC001575584570 950174058 /nfs/dbraw/zinc/17/40/58/950174058.db2.gz XTGAONRUHPBKCV-CQSZACIVSA-N -1 1 392.445 -0.315 20 0 GBADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCCS1(=O)=O ZINC001575584570 950174046 /nfs/dbraw/zinc/17/40/46/950174046.db2.gz XTGAONRUHPBKCV-CQSZACIVSA-N -1 1 392.445 -0.315 20 0 GBADMM C[C@]1(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575584593 950174717 /nfs/dbraw/zinc/17/47/17/950174717.db2.gz YIMVLYAIHBAXFH-DLBZAZTESA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575584594 950172983 /nfs/dbraw/zinc/17/29/83/950172983.db2.gz YIMVLYAIHBAXFH-IAGOWNOFSA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@]1(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575584595 950173835 /nfs/dbraw/zinc/17/38/35/950173835.db2.gz YIMVLYAIHBAXFH-IRXDYDNUSA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@@]1(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575584596 950172310 /nfs/dbraw/zinc/17/23/10/950172310.db2.gz YIMVLYAIHBAXFH-SJORKVTESA-N -1 1 388.432 -0.469 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575584806 950177044 /nfs/dbraw/zinc/17/70/44/950177044.db2.gz SVESYLIDOLAJNH-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575584806 950177030 /nfs/dbraw/zinc/17/70/30/950177030.db2.gz SVESYLIDOLAJNH-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575584808 950178381 /nfs/dbraw/zinc/17/83/81/950178381.db2.gz SVESYLIDOLAJNH-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575584808 950178368 /nfs/dbraw/zinc/17/83/68/950178368.db2.gz SVESYLIDOLAJNH-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575584990 950183409 /nfs/dbraw/zinc/18/34/09/950183409.db2.gz UZPYLPPFUDVWGV-IGCAFJPESA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575584991 950188001 /nfs/dbraw/zinc/18/80/01/950188001.db2.gz UZPYLPPFUDVWGV-NQMJSUOBSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575585193 950190896 /nfs/dbraw/zinc/19/08/96/950190896.db2.gz XJXGQZLDBZFELV-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575585193 950190877 /nfs/dbraw/zinc/19/08/77/950190877.db2.gz XJXGQZLDBZFELV-IGCAFJPESA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575585195 950190074 /nfs/dbraw/zinc/19/00/74/950190074.db2.gz XJXGQZLDBZFELV-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575585195 950190063 /nfs/dbraw/zinc/19/00/63/950190063.db2.gz XJXGQZLDBZFELV-NQMJSUOBSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575585599 950196808 /nfs/dbraw/zinc/19/68/08/950196808.db2.gz BBEFSCWBAMZYIG-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575585599 950196797 /nfs/dbraw/zinc/19/67/97/950196797.db2.gz BBEFSCWBAMZYIG-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575585602 950199496 /nfs/dbraw/zinc/19/94/96/950199496.db2.gz BBEFSCWBAMZYIG-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575585602 950199485 /nfs/dbraw/zinc/19/94/85/950199485.db2.gz BBEFSCWBAMZYIG-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575585604 950197224 /nfs/dbraw/zinc/19/72/24/950197224.db2.gz BBEFSCWBAMZYIG-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575585604 950197215 /nfs/dbraw/zinc/19/72/15/950197215.db2.gz BBEFSCWBAMZYIG-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575585606 950199337 /nfs/dbraw/zinc/19/93/37/950199337.db2.gz BBEFSCWBAMZYIG-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575585606 950199326 /nfs/dbraw/zinc/19/93/26/950199326.db2.gz BBEFSCWBAMZYIG-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575585677 950203397 /nfs/dbraw/zinc/20/33/97/950203397.db2.gz BVYRFCJNVUEQIW-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575585677 950203379 /nfs/dbraw/zinc/20/33/79/950203379.db2.gz BVYRFCJNVUEQIW-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575585680 950203199 /nfs/dbraw/zinc/20/31/99/950203199.db2.gz BVYRFCJNVUEQIW-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575585680 950203179 /nfs/dbraw/zinc/20/31/79/950203179.db2.gz BVYRFCJNVUEQIW-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575585682 950200380 /nfs/dbraw/zinc/20/03/80/950200380.db2.gz BVYRFCJNVUEQIW-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575585682 950200363 /nfs/dbraw/zinc/20/03/63/950200363.db2.gz BVYRFCJNVUEQIW-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575585695 950202368 /nfs/dbraw/zinc/20/23/68/950202368.db2.gz BVYRFCJNVUEQIW-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575585695 950202350 /nfs/dbraw/zinc/20/23/50/950202350.db2.gz BVYRFCJNVUEQIW-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575585793 950208437 /nfs/dbraw/zinc/20/84/37/950208437.db2.gz DFYCLAXKGJVBEB-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575585793 950208421 /nfs/dbraw/zinc/20/84/21/950208421.db2.gz DFYCLAXKGJVBEB-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575585795 950209364 /nfs/dbraw/zinc/20/93/64/950209364.db2.gz DFYCLAXKGJVBEB-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575585795 950209353 /nfs/dbraw/zinc/20/93/53/950209353.db2.gz DFYCLAXKGJVBEB-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575585797 950208261 /nfs/dbraw/zinc/20/82/61/950208261.db2.gz DFYCLAXKGJVBEB-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575585797 950208243 /nfs/dbraw/zinc/20/82/43/950208243.db2.gz DFYCLAXKGJVBEB-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575585798 950207859 /nfs/dbraw/zinc/20/78/59/950207859.db2.gz DFYCLAXKGJVBEB-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575585798 950207845 /nfs/dbraw/zinc/20/78/45/950207845.db2.gz DFYCLAXKGJVBEB-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575586089 950215258 /nfs/dbraw/zinc/21/52/58/950215258.db2.gz HCWFDOUIKLKFBG-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575586089 950215239 /nfs/dbraw/zinc/21/52/39/950215239.db2.gz HCWFDOUIKLKFBG-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575586090 950213892 /nfs/dbraw/zinc/21/38/92/950213892.db2.gz HCWFDOUIKLKFBG-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575586090 950213877 /nfs/dbraw/zinc/21/38/77/950213877.db2.gz HCWFDOUIKLKFBG-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575586091 950211040 /nfs/dbraw/zinc/21/10/40/950211040.db2.gz HCWFDOUIKLKFBG-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575586091 950211020 /nfs/dbraw/zinc/21/10/20/950211020.db2.gz HCWFDOUIKLKFBG-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575586092 950212317 /nfs/dbraw/zinc/21/23/17/950212317.db2.gz HCWFDOUIKLKFBG-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575586092 950212298 /nfs/dbraw/zinc/21/22/98/950212298.db2.gz HCWFDOUIKLKFBG-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575586457 950216627 /nfs/dbraw/zinc/21/66/27/950216627.db2.gz ISWRKMSJKPWIOJ-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575586457 950216604 /nfs/dbraw/zinc/21/66/04/950216604.db2.gz ISWRKMSJKPWIOJ-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575586458 950216145 /nfs/dbraw/zinc/21/61/45/950216145.db2.gz ISWRKMSJKPWIOJ-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575586458 950216126 /nfs/dbraw/zinc/21/61/26/950216126.db2.gz ISWRKMSJKPWIOJ-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575586459 950219372 /nfs/dbraw/zinc/21/93/72/950219372.db2.gz ISWRKMSJKPWIOJ-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575586459 950219352 /nfs/dbraw/zinc/21/93/52/950219352.db2.gz ISWRKMSJKPWIOJ-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575586460 950218091 /nfs/dbraw/zinc/21/80/91/950218091.db2.gz ISWRKMSJKPWIOJ-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575586460 950218072 /nfs/dbraw/zinc/21/80/72/950218072.db2.gz ISWRKMSJKPWIOJ-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575586772 950222398 /nfs/dbraw/zinc/22/23/98/950222398.db2.gz JRNUEMXIEKNYTJ-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575586774 950226334 /nfs/dbraw/zinc/22/63/34/950226334.db2.gz JRNUEMXIEKNYTJ-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575586776 950224703 /nfs/dbraw/zinc/22/47/03/950224703.db2.gz JRNUEMXIEKNYTJ-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575586778 950222498 /nfs/dbraw/zinc/22/24/98/950222498.db2.gz JRNUEMXIEKNYTJ-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575586861 950230556 /nfs/dbraw/zinc/23/05/56/950230556.db2.gz KXLUIHBXWRPRBC-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575586861 950230541 /nfs/dbraw/zinc/23/05/41/950230541.db2.gz KXLUIHBXWRPRBC-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575586863 950230253 /nfs/dbraw/zinc/23/02/53/950230253.db2.gz KXLUIHBXWRPRBC-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575586863 950230236 /nfs/dbraw/zinc/23/02/36/950230236.db2.gz KXLUIHBXWRPRBC-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575586864 950227844 /nfs/dbraw/zinc/22/78/44/950227844.db2.gz KXLUIHBXWRPRBC-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575586864 950227823 /nfs/dbraw/zinc/22/78/23/950227823.db2.gz KXLUIHBXWRPRBC-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575586865 950228027 /nfs/dbraw/zinc/22/80/27/950228027.db2.gz KXLUIHBXWRPRBC-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575586865 950228008 /nfs/dbraw/zinc/22/80/08/950228008.db2.gz KXLUIHBXWRPRBC-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575587132 950231142 /nfs/dbraw/zinc/23/11/42/950231142.db2.gz LHVGJHCDZSSILV-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575587133 950231381 /nfs/dbraw/zinc/23/13/81/950231381.db2.gz LHVGJHCDZSSILV-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575587135 950228665 /nfs/dbraw/zinc/22/86/65/950228665.db2.gz LHVGJHCDZSSILV-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575587137 950230906 /nfs/dbraw/zinc/23/09/06/950230906.db2.gz LHVGJHCDZSSILV-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CCNC(=O)C1 ZINC001575587167 950230708 /nfs/dbraw/zinc/23/07/08/950230708.db2.gz LVNDQJPBKCXWBQ-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575587167 950230694 /nfs/dbraw/zinc/23/06/94/950230694.db2.gz LVNDQJPBKCXWBQ-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CCNC(=O)C1 ZINC001575587169 950230355 /nfs/dbraw/zinc/23/03/55/950230355.db2.gz LVNDQJPBKCXWBQ-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575587169 950230337 /nfs/dbraw/zinc/23/03/37/950230337.db2.gz LVNDQJPBKCXWBQ-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CCNC(=O)C1 ZINC001575587172 950226906 /nfs/dbraw/zinc/22/69/06/950226906.db2.gz LVNDQJPBKCXWBQ-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575587172 950226890 /nfs/dbraw/zinc/22/68/90/950226890.db2.gz LVNDQJPBKCXWBQ-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CCNC(=O)C1 ZINC001575587173 950229274 /nfs/dbraw/zinc/22/92/74/950229274.db2.gz LVNDQJPBKCXWBQ-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CCNC(=O)C1 ZINC001575587173 950229256 /nfs/dbraw/zinc/22/92/56/950229256.db2.gz LVNDQJPBKCXWBQ-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575587219 950234765 /nfs/dbraw/zinc/23/47/65/950234765.db2.gz MJIXDFWVIBNJAM-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575587221 950236391 /nfs/dbraw/zinc/23/63/91/950236391.db2.gz MJIXDFWVIBNJAM-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575587224 950233573 /nfs/dbraw/zinc/23/35/73/950233573.db2.gz MJIXDFWVIBNJAM-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575587226 950236787 /nfs/dbraw/zinc/23/67/87/950236787.db2.gz MJIXDFWVIBNJAM-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575588230 950247732 /nfs/dbraw/zinc/24/77/32/950247732.db2.gz QIDPHFVMMCVNEM-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCNC(=O)C1 ZINC001575588230 950247714 /nfs/dbraw/zinc/24/77/14/950247714.db2.gz QIDPHFVMMCVNEM-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575588235 950248326 /nfs/dbraw/zinc/24/83/26/950248326.db2.gz QIDPHFVMMCVNEM-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCNC(=O)C1 ZINC001575588235 950248310 /nfs/dbraw/zinc/24/83/10/950248310.db2.gz QIDPHFVMMCVNEM-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575588240 950247006 /nfs/dbraw/zinc/24/70/06/950247006.db2.gz QIDPHFVMMCVNEM-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCNC(=O)C1 ZINC001575588240 950246993 /nfs/dbraw/zinc/24/69/93/950246993.db2.gz QIDPHFVMMCVNEM-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575588246 950246890 /nfs/dbraw/zinc/24/68/90/950246890.db2.gz QIDPHFVMMCVNEM-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCNC(=O)C1 ZINC001575588246 950246878 /nfs/dbraw/zinc/24/68/78/950246878.db2.gz QIDPHFVMMCVNEM-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575588320 950249299 /nfs/dbraw/zinc/24/92/99/950249299.db2.gz QPGNUDHRWKBHEC-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575588320 950249280 /nfs/dbraw/zinc/24/92/80/950249280.db2.gz QPGNUDHRWKBHEC-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575588322 950250091 /nfs/dbraw/zinc/25/00/91/950250091.db2.gz QPGNUDHRWKBHEC-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575588322 950250071 /nfs/dbraw/zinc/25/00/71/950250071.db2.gz QPGNUDHRWKBHEC-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575588324 950250899 /nfs/dbraw/zinc/25/08/99/950250899.db2.gz QPGNUDHRWKBHEC-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575588324 950250881 /nfs/dbraw/zinc/25/08/81/950250881.db2.gz QPGNUDHRWKBHEC-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575588327 950250542 /nfs/dbraw/zinc/25/05/42/950250542.db2.gz QPGNUDHRWKBHEC-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575588327 950250525 /nfs/dbraw/zinc/25/05/25/950250525.db2.gz QPGNUDHRWKBHEC-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCNC1=O ZINC001575588782 950250937 /nfs/dbraw/zinc/25/09/37/950250937.db2.gz SELRWQKWCHAKNQ-KRWDZBQOSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCNC1=O ZINC001575588783 950251305 /nfs/dbraw/zinc/25/13/05/950251305.db2.gz SELRWQKWCHAKNQ-QGZVFWFLSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575588817 950256558 /nfs/dbraw/zinc/25/65/58/950256558.db2.gz ULIRTLFOKKNIEM-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575588817 950256539 /nfs/dbraw/zinc/25/65/39/950256539.db2.gz ULIRTLFOKKNIEM-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575588818 950257166 /nfs/dbraw/zinc/25/71/66/950257166.db2.gz ULIRTLFOKKNIEM-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575588818 950257147 /nfs/dbraw/zinc/25/71/47/950257147.db2.gz ULIRTLFOKKNIEM-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575588819 950256877 /nfs/dbraw/zinc/25/68/77/950256877.db2.gz ULIRTLFOKKNIEM-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575588819 950256858 /nfs/dbraw/zinc/25/68/58/950256858.db2.gz ULIRTLFOKKNIEM-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575588820 950258718 /nfs/dbraw/zinc/25/87/18/950258718.db2.gz ULIRTLFOKKNIEM-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575588820 950258700 /nfs/dbraw/zinc/25/87/00/950258700.db2.gz ULIRTLFOKKNIEM-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575589130 950254349 /nfs/dbraw/zinc/25/43/49/950254349.db2.gz UUBXWUGVCWJEKM-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575589130 950254334 /nfs/dbraw/zinc/25/43/34/950254334.db2.gz UUBXWUGVCWJEKM-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575589131 950255874 /nfs/dbraw/zinc/25/58/74/950255874.db2.gz UUBXWUGVCWJEKM-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575589131 950255861 /nfs/dbraw/zinc/25/58/61/950255861.db2.gz UUBXWUGVCWJEKM-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575589132 950258189 /nfs/dbraw/zinc/25/81/89/950258189.db2.gz UUBXWUGVCWJEKM-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575589132 950258175 /nfs/dbraw/zinc/25/81/75/950258175.db2.gz UUBXWUGVCWJEKM-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575589133 950257521 /nfs/dbraw/zinc/25/75/21/950257521.db2.gz UUBXWUGVCWJEKM-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575589133 950257509 /nfs/dbraw/zinc/25/75/09/950257509.db2.gz UUBXWUGVCWJEKM-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575589604 950268537 /nfs/dbraw/zinc/26/85/37/950268537.db2.gz XAGXPSQLQXYRMA-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575589604 950268514 /nfs/dbraw/zinc/26/85/14/950268514.db2.gz XAGXPSQLQXYRMA-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575589607 950264673 /nfs/dbraw/zinc/26/46/73/950264673.db2.gz XAGXPSQLQXYRMA-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575589607 950264656 /nfs/dbraw/zinc/26/46/56/950264656.db2.gz XAGXPSQLQXYRMA-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575589612 950266190 /nfs/dbraw/zinc/26/61/90/950266190.db2.gz XAGXPSQLQXYRMA-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575589612 950266177 /nfs/dbraw/zinc/26/61/77/950266177.db2.gz XAGXPSQLQXYRMA-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575589615 950265536 /nfs/dbraw/zinc/26/55/36/950265536.db2.gz XAGXPSQLQXYRMA-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575589615 950265516 /nfs/dbraw/zinc/26/55/16/950265516.db2.gz XAGXPSQLQXYRMA-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575589699 950267197 /nfs/dbraw/zinc/26/71/97/950267197.db2.gz XKQVAINSBFFYIY-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575589699 950267178 /nfs/dbraw/zinc/26/71/78/950267178.db2.gz XKQVAINSBFFYIY-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575589700 950264923 /nfs/dbraw/zinc/26/49/23/950264923.db2.gz XKQVAINSBFFYIY-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575589700 950264904 /nfs/dbraw/zinc/26/49/04/950264904.db2.gz XKQVAINSBFFYIY-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575589701 950269423 /nfs/dbraw/zinc/26/94/23/950269423.db2.gz XKQVAINSBFFYIY-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575589701 950269399 /nfs/dbraw/zinc/26/93/99/950269399.db2.gz XKQVAINSBFFYIY-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575589702 950267264 /nfs/dbraw/zinc/26/72/64/950267264.db2.gz XKQVAINSBFFYIY-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575589702 950267244 /nfs/dbraw/zinc/26/72/44/950267244.db2.gz XKQVAINSBFFYIY-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575589876 950273609 /nfs/dbraw/zinc/27/36/09/950273609.db2.gz YOLBRIUOIFMCRY-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575589876 950273595 /nfs/dbraw/zinc/27/35/95/950273595.db2.gz YOLBRIUOIFMCRY-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575589878 950271327 /nfs/dbraw/zinc/27/13/27/950271327.db2.gz YOLBRIUOIFMCRY-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575589878 950271308 /nfs/dbraw/zinc/27/13/08/950271308.db2.gz YOLBRIUOIFMCRY-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575589880 950274795 /nfs/dbraw/zinc/27/47/95/950274795.db2.gz YOLBRIUOIFMCRY-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575589880 950274779 /nfs/dbraw/zinc/27/47/79/950274779.db2.gz YOLBRIUOIFMCRY-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575589882 950272818 /nfs/dbraw/zinc/27/28/18/950272818.db2.gz YOLBRIUOIFMCRY-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575589882 950272798 /nfs/dbraw/zinc/27/27/98/950272798.db2.gz YOLBRIUOIFMCRY-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575592064 950278181 /nfs/dbraw/zinc/27/81/81/950278181.db2.gz BIBVJRFBMAKCSG-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575592064 950278155 /nfs/dbraw/zinc/27/81/55/950278155.db2.gz BIBVJRFBMAKCSG-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575592065 950277066 /nfs/dbraw/zinc/27/70/66/950277066.db2.gz BIBVJRFBMAKCSG-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575592065 950277048 /nfs/dbraw/zinc/27/70/48/950277048.db2.gz BIBVJRFBMAKCSG-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575592247 950282103 /nfs/dbraw/zinc/28/21/03/950282103.db2.gz FFYRRLXKKHJSNJ-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575592247 950282089 /nfs/dbraw/zinc/28/20/89/950282089.db2.gz FFYRRLXKKHJSNJ-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)CCNC(=O)C1 ZINC001575592248 950281695 /nfs/dbraw/zinc/28/16/95/950281695.db2.gz FFYRRLXKKHJSNJ-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)CCNC(=O)C1 ZINC001575592248 950281679 /nfs/dbraw/zinc/28/16/79/950281679.db2.gz FFYRRLXKKHJSNJ-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575592250 950282779 /nfs/dbraw/zinc/28/27/79/950282779.db2.gz FJJBPOVADMXZDI-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575592250 950282762 /nfs/dbraw/zinc/28/27/62/950282762.db2.gz FJJBPOVADMXZDI-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575592251 950280632 /nfs/dbraw/zinc/28/06/32/950280632.db2.gz FJJBPOVADMXZDI-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575592251 950280613 /nfs/dbraw/zinc/28/06/13/950280613.db2.gz FJJBPOVADMXZDI-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CCNC1=O ZINC001575592358 950288568 /nfs/dbraw/zinc/28/85/68/950288568.db2.gz AEACIUHUZFBMFB-INIZCTEOSA-N -1 1 385.432 -0.697 20 0 GBADMM C[C@@]1(C(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CCNC1=O ZINC001575592361 950285220 /nfs/dbraw/zinc/28/52/20/950285220.db2.gz AEACIUHUZFBMFB-MRXNPFEDSA-N -1 1 385.432 -0.697 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)CCOCC1 ZINC001575592369 950284944 /nfs/dbraw/zinc/28/49/44/950284944.db2.gz AFXMRRBHOPJNFP-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)CCOCC1 ZINC001575592369 950284924 /nfs/dbraw/zinc/28/49/24/950284924.db2.gz AFXMRRBHOPJNFP-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)CCOCC1 ZINC001575592372 950285623 /nfs/dbraw/zinc/28/56/23/950285623.db2.gz AFXMRRBHOPJNFP-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)CCOCC1 ZINC001575592372 950285604 /nfs/dbraw/zinc/28/56/04/950285604.db2.gz AFXMRRBHOPJNFP-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575592613 950293074 /nfs/dbraw/zinc/29/30/74/950293074.db2.gz CIZAPAKMCOHQJF-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575592613 950293055 /nfs/dbraw/zinc/29/30/55/950293055.db2.gz CIZAPAKMCOHQJF-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575592614 950290197 /nfs/dbraw/zinc/29/01/97/950290197.db2.gz CIZAPAKMCOHQJF-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575592614 950290179 /nfs/dbraw/zinc/29/01/79/950290179.db2.gz CIZAPAKMCOHQJF-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575592615 950293297 /nfs/dbraw/zinc/29/32/97/950293297.db2.gz CIZAPAKMCOHQJF-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575592615 950293275 /nfs/dbraw/zinc/29/32/75/950293275.db2.gz CIZAPAKMCOHQJF-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575592616 950294388 /nfs/dbraw/zinc/29/43/88/950294388.db2.gz CIZAPAKMCOHQJF-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575592616 950294371 /nfs/dbraw/zinc/29/43/71/950294371.db2.gz CIZAPAKMCOHQJF-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575592662 950298529 /nfs/dbraw/zinc/29/85/29/950298529.db2.gz JADUMMMPFMCVHW-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575592663 950295123 /nfs/dbraw/zinc/29/51/23/950295123.db2.gz JADUMMMPFMCVHW-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575593191 950308837 /nfs/dbraw/zinc/30/88/37/950308837.db2.gz MKDQZPVSKZBJJE-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575593192 950306606 /nfs/dbraw/zinc/30/66/06/950306606.db2.gz MKDQZPVSKZBJJE-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575593244 950305205 /nfs/dbraw/zinc/30/52/05/950305205.db2.gz NATNYMXUBWQOJI-KRWDZBQOSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@]1(C(=O)NCCN2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575593244 950305184 /nfs/dbraw/zinc/30/51/84/950305184.db2.gz NATNYMXUBWQOJI-KRWDZBQOSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@@]1(C(=O)NCCN2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575593248 950307529 /nfs/dbraw/zinc/30/75/29/950307529.db2.gz NATNYMXUBWQOJI-QGZVFWFLSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@@]1(C(=O)NCCN2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575593248 950307510 /nfs/dbraw/zinc/30/75/10/950307510.db2.gz NATNYMXUBWQOJI-QGZVFWFLSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@]1(C(=O)NCCN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575593249 950309231 /nfs/dbraw/zinc/30/92/31/950309231.db2.gz NCBFMSJTDTYIFR-KRWDZBQOSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@@]1(C(=O)NCCN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575593250 950305112 /nfs/dbraw/zinc/30/51/12/950305112.db2.gz NCBFMSJTDTYIFR-QGZVFWFLSA-N -1 1 387.448 -0.679 20 0 GBADMM CC1(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575593400 950314148 /nfs/dbraw/zinc/31/41/48/950314148.db2.gz FZBZKXKZRCGJIA-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575593400 950314128 /nfs/dbraw/zinc/31/41/28/950314128.db2.gz FZBZKXKZRCGJIA-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575593407 950312893 /nfs/dbraw/zinc/31/28/93/950312893.db2.gz FZBZKXKZRCGJIA-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575593407 950312871 /nfs/dbraw/zinc/31/28/71/950312871.db2.gz FZBZKXKZRCGJIA-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575593502 950318840 /nfs/dbraw/zinc/31/88/40/950318840.db2.gz GQWRBYYMFMAECG-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575593502 950318817 /nfs/dbraw/zinc/31/88/17/950318817.db2.gz GQWRBYYMFMAECG-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575593503 950316365 /nfs/dbraw/zinc/31/63/65/950316365.db2.gz GQWRBYYMFMAECG-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575593503 950316348 /nfs/dbraw/zinc/31/63/48/950316348.db2.gz GQWRBYYMFMAECG-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575593504 950317806 /nfs/dbraw/zinc/31/78/06/950317806.db2.gz GQWRBYYMFMAECG-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575593504 950317782 /nfs/dbraw/zinc/31/77/82/950317782.db2.gz GQWRBYYMFMAECG-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575593505 950319742 /nfs/dbraw/zinc/31/97/42/950319742.db2.gz GQWRBYYMFMAECG-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575593505 950319721 /nfs/dbraw/zinc/31/97/21/950319721.db2.gz GQWRBYYMFMAECG-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575593782 950315225 /nfs/dbraw/zinc/31/52/25/950315225.db2.gz OCDOXDAGNAFSLX-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575593782 950315208 /nfs/dbraw/zinc/31/52/08/950315208.db2.gz OCDOXDAGNAFSLX-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575593783 950317143 /nfs/dbraw/zinc/31/71/43/950317143.db2.gz OCDOXDAGNAFSLX-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575593783 950317121 /nfs/dbraw/zinc/31/71/21/950317121.db2.gz OCDOXDAGNAFSLX-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCCO2)CCOC1 ZINC001575593842 950317431 /nfs/dbraw/zinc/31/74/31/950317431.db2.gz HMTLBZCTLUERFU-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCCO2)CCOC1 ZINC001575593842 950317403 /nfs/dbraw/zinc/31/74/03/950317403.db2.gz HMTLBZCTLUERFU-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCCO2)CCOC1 ZINC001575593845 950319920 /nfs/dbraw/zinc/31/99/20/950319920.db2.gz HMTLBZCTLUERFU-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCCO2)CCOC1 ZINC001575593845 950319897 /nfs/dbraw/zinc/31/98/97/950319897.db2.gz HMTLBZCTLUERFU-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCCO2)CCOC1 ZINC001575593848 950317285 /nfs/dbraw/zinc/31/72/85/950317285.db2.gz HMTLBZCTLUERFU-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCCO2)CCOC1 ZINC001575593848 950317262 /nfs/dbraw/zinc/31/72/62/950317262.db2.gz HMTLBZCTLUERFU-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCCO2)CCOC1 ZINC001575593852 950324313 /nfs/dbraw/zinc/32/43/13/950324313.db2.gz HMTLBZCTLUERFU-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCCO2)CCOC1 ZINC001575593852 950324292 /nfs/dbraw/zinc/32/42/92/950324292.db2.gz HMTLBZCTLUERFU-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCOc2ccccc21 ZINC001575593912 950321048 /nfs/dbraw/zinc/32/10/48/950321048.db2.gz PPGJQJXKGBCAJJ-GOSISDBHSA-N -1 1 397.395 -0.014 20 0 GBADMM C[C@]1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCOc2ccccc21 ZINC001575593917 950322295 /nfs/dbraw/zinc/32/22/95/950322295.db2.gz PPGJQJXKGBCAJJ-SFHVURJKSA-N -1 1 397.395 -0.014 20 0 GBADMM CC1(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575593988 950324426 /nfs/dbraw/zinc/32/44/26/950324426.db2.gz IRVSAKXEODMCFE-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575593988 950324407 /nfs/dbraw/zinc/32/44/07/950324407.db2.gz IRVSAKXEODMCFE-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575593990 950327496 /nfs/dbraw/zinc/32/74/96/950327496.db2.gz IRVSAKXEODMCFE-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575593990 950327473 /nfs/dbraw/zinc/32/74/73/950327473.db2.gz IRVSAKXEODMCFE-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NCCN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575594415 950333377 /nfs/dbraw/zinc/33/33/77/950333377.db2.gz SQVGEDSRFSYVBW-KRWDZBQOSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@]1(C(=O)NCCN2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCOC1 ZINC001575594415 950333353 /nfs/dbraw/zinc/33/33/53/950333353.db2.gz SQVGEDSRFSYVBW-KRWDZBQOSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@@]1(C(=O)NCCN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575594416 950334923 /nfs/dbraw/zinc/33/49/23/950334923.db2.gz SQVGEDSRFSYVBW-QGZVFWFLSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@@]1(C(=O)NCCN2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCOC1 ZINC001575594416 950334902 /nfs/dbraw/zinc/33/49/02/950334902.db2.gz SQVGEDSRFSYVBW-QGZVFWFLSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCCO2)CCOC1 ZINC001575594745 950340485 /nfs/dbraw/zinc/34/04/85/950340485.db2.gz MFIORPQXDZFEHD-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCCO2)CCOC1 ZINC001575594745 950340461 /nfs/dbraw/zinc/34/04/61/950340461.db2.gz MFIORPQXDZFEHD-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCCO2)CCOC1 ZINC001575594746 950342205 /nfs/dbraw/zinc/34/22/05/950342205.db2.gz MFIORPQXDZFEHD-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCCO2)CCOC1 ZINC001575594746 950342179 /nfs/dbraw/zinc/34/21/79/950342179.db2.gz MFIORPQXDZFEHD-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCCO2)CCOC1 ZINC001575594747 950344033 /nfs/dbraw/zinc/34/40/33/950344033.db2.gz MFIORPQXDZFEHD-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCCO2)CCOC1 ZINC001575594747 950344015 /nfs/dbraw/zinc/34/40/15/950344015.db2.gz MFIORPQXDZFEHD-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCCO2)CCOC1 ZINC001575594748 950342663 /nfs/dbraw/zinc/34/26/63/950342663.db2.gz MFIORPQXDZFEHD-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCCO2)CCOC1 ZINC001575594748 950342643 /nfs/dbraw/zinc/34/26/43/950342643.db2.gz MFIORPQXDZFEHD-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)CCCOC1 ZINC001575594952 950343981 /nfs/dbraw/zinc/34/39/81/950343981.db2.gz MKRXKMKGHXWJLW-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)CCCOC1 ZINC001575594952 950343967 /nfs/dbraw/zinc/34/39/67/950343967.db2.gz MKRXKMKGHXWJLW-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)CCCOC1 ZINC001575594955 950344196 /nfs/dbraw/zinc/34/41/96/950344196.db2.gz MKRXKMKGHXWJLW-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)CCCOC1 ZINC001575594955 950344181 /nfs/dbraw/zinc/34/41/81/950344181.db2.gz MKRXKMKGHXWJLW-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)CCCOC1 ZINC001575594958 950342014 /nfs/dbraw/zinc/34/20/14/950342014.db2.gz MKRXKMKGHXWJLW-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)CCCOC1 ZINC001575594958 950341992 /nfs/dbraw/zinc/34/19/92/950341992.db2.gz MKRXKMKGHXWJLW-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)CCCOC1 ZINC001575594961 950342776 /nfs/dbraw/zinc/34/27/76/950342776.db2.gz MKRXKMKGHXWJLW-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)CCCOC1 ZINC001575594961 950342756 /nfs/dbraw/zinc/34/27/56/950342756.db2.gz MKRXKMKGHXWJLW-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NCCCNc2ccc(-c3nn[n-]n3)nn2)CCCS1(=O)=O ZINC001575594993 950345860 /nfs/dbraw/zinc/34/58/60/950345860.db2.gz WWFZITKDNYEWHP-AWEZNQCLSA-N -1 1 380.434 -0.458 20 0 GBADMM C[C@@]1(C(=O)NCCCNc2ccc(-c3nnn[n-]3)nn2)CCCS1(=O)=O ZINC001575594993 950345839 /nfs/dbraw/zinc/34/58/39/950345839.db2.gz WWFZITKDNYEWHP-AWEZNQCLSA-N -1 1 380.434 -0.458 20 0 GBADMM C[C@]1(C(=O)NCCCNc2ccc(-c3nn[n-]n3)nn2)CCCS1(=O)=O ZINC001575594996 950345301 /nfs/dbraw/zinc/34/53/01/950345301.db2.gz WWFZITKDNYEWHP-CQSZACIVSA-N -1 1 380.434 -0.458 20 0 GBADMM C[C@]1(C(=O)NCCCNc2ccc(-c3nnn[n-]3)nn2)CCCS1(=O)=O ZINC001575594996 950345288 /nfs/dbraw/zinc/34/52/88/950345288.db2.gz WWFZITKDNYEWHP-CQSZACIVSA-N -1 1 380.434 -0.458 20 0 GBADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575595000 950347947 /nfs/dbraw/zinc/34/79/47/950347947.db2.gz WZEVBUFROAURHT-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC1=O ZINC001575595000 950347924 /nfs/dbraw/zinc/34/79/24/950347924.db2.gz WZEVBUFROAURHT-APPDUMDISA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575595004 950346259 /nfs/dbraw/zinc/34/62/59/950346259.db2.gz WZEVBUFROAURHT-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC1=O ZINC001575595004 950346241 /nfs/dbraw/zinc/34/62/41/950346241.db2.gz WZEVBUFROAURHT-DIFFPNOSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575595008 950346166 /nfs/dbraw/zinc/34/61/66/950346166.db2.gz WZEVBUFROAURHT-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC1=O ZINC001575595008 950346145 /nfs/dbraw/zinc/34/61/45/950346145.db2.gz WZEVBUFROAURHT-GTNSWQLSSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCNC1=O ZINC001575595012 950347521 /nfs/dbraw/zinc/34/75/21/950347521.db2.gz WZEVBUFROAURHT-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCNC1=O ZINC001575595012 950347499 /nfs/dbraw/zinc/34/74/99/950347499.db2.gz WZEVBUFROAURHT-PIGZYNQJSA-N -1 1 385.432 -0.485 20 0 GBADMM C[C@]1(C(=O)NCCN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC001575595261 950350611 /nfs/dbraw/zinc/35/06/11/950350611.db2.gz YTHNXJSYVBLQTC-KRWDZBQOSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@]1(C(=O)NCCN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC001575595261 950350596 /nfs/dbraw/zinc/35/05/96/950350596.db2.gz YTHNXJSYVBLQTC-KRWDZBQOSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@@]1(C(=O)NCCN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC001575595265 950353013 /nfs/dbraw/zinc/35/30/13/950353013.db2.gz YTHNXJSYVBLQTC-QGZVFWFLSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@@]1(C(=O)NCCN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC001575595265 950352992 /nfs/dbraw/zinc/35/29/92/950352992.db2.gz YTHNXJSYVBLQTC-QGZVFWFLSA-N -1 1 387.448 -0.679 20 0 GBADMM C[C@]1(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575595402 950359705 /nfs/dbraw/zinc/35/97/05/950359705.db2.gz ZGNQWRWIUSRTDI-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575595402 950359688 /nfs/dbraw/zinc/35/96/88/950359688.db2.gz ZGNQWRWIUSRTDI-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)CCC(=O)NC1 ZINC001575595403 950359186 /nfs/dbraw/zinc/35/91/86/950359186.db2.gz ZGNQWRWIUSRTDI-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)CCC(=O)NC1 ZINC001575595403 950359170 /nfs/dbraw/zinc/35/91/70/950359170.db2.gz ZGNQWRWIUSRTDI-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575595405 950357916 /nfs/dbraw/zinc/35/79/16/950357916.db2.gz ZIWOZQZKLAHEQE-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575595405 950357902 /nfs/dbraw/zinc/35/79/02/950357902.db2.gz ZIWOZQZKLAHEQE-KRWDZBQOSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)CCNC(=O)C1 ZINC001575595406 950359876 /nfs/dbraw/zinc/35/98/76/950359876.db2.gz ZIWOZQZKLAHEQE-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)CCNC(=O)C1 ZINC001575595406 950359850 /nfs/dbraw/zinc/35/98/50/950359850.db2.gz ZIWOZQZKLAHEQE-QGZVFWFLSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575595554 950358973 /nfs/dbraw/zinc/35/89/73/950358973.db2.gz ORAVCIOCUAWOAP-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575595556 950356035 /nfs/dbraw/zinc/35/60/35/950356035.db2.gz ORAVCIOCUAWOAP-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575595559 950357849 /nfs/dbraw/zinc/35/78/49/950357849.db2.gz ORAVCIOCUAWOAP-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575595562 950359419 /nfs/dbraw/zinc/35/94/19/950359419.db2.gz ORAVCIOCUAWOAP-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575595628 950365592 /nfs/dbraw/zinc/36/55/92/950365592.db2.gz PHNNZGCWKXAYMA-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575595631 950362067 /nfs/dbraw/zinc/36/20/67/950362067.db2.gz PHNNZGCWKXAYMA-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)CCOC1 ZINC001575595745 950361673 /nfs/dbraw/zinc/36/16/73/950361673.db2.gz QQOKNFPXZOCXNW-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)CCOC1 ZINC001575595745 950361654 /nfs/dbraw/zinc/36/16/54/950361654.db2.gz QQOKNFPXZOCXNW-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)CCOC1 ZINC001575595747 950363651 /nfs/dbraw/zinc/36/36/51/950363651.db2.gz QQOKNFPXZOCXNW-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)CCOC1 ZINC001575595747 950363634 /nfs/dbraw/zinc/36/36/34/950363634.db2.gz QQOKNFPXZOCXNW-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)CCOC1 ZINC001575595750 950364954 /nfs/dbraw/zinc/36/49/54/950364954.db2.gz QQOKNFPXZOCXNW-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)CCOC1 ZINC001575595750 950364932 /nfs/dbraw/zinc/36/49/32/950364932.db2.gz QQOKNFPXZOCXNW-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)CCOC1 ZINC001575595751 950365020 /nfs/dbraw/zinc/36/50/20/950365020.db2.gz QQOKNFPXZOCXNW-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)CCOC1 ZINC001575595751 950365004 /nfs/dbraw/zinc/36/50/04/950365004.db2.gz QQOKNFPXZOCXNW-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575595753 950360820 /nfs/dbraw/zinc/36/08/20/950360820.db2.gz QVPOIUVXFFJDBV-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575595753 950360802 /nfs/dbraw/zinc/36/08/02/950360802.db2.gz QVPOIUVXFFJDBV-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575595757 950364669 /nfs/dbraw/zinc/36/46/69/950364669.db2.gz QVPOIUVXFFJDBV-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575595757 950364654 /nfs/dbraw/zinc/36/46/54/950364654.db2.gz QVPOIUVXFFJDBV-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575595760 950364348 /nfs/dbraw/zinc/36/43/48/950364348.db2.gz QVPOIUVXFFJDBV-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575595760 950364327 /nfs/dbraw/zinc/36/43/27/950364327.db2.gz QVPOIUVXFFJDBV-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575595762 950362355 /nfs/dbraw/zinc/36/23/55/950362355.db2.gz QVPOIUVXFFJDBV-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575595762 950362332 /nfs/dbraw/zinc/36/23/32/950362332.db2.gz QVPOIUVXFFJDBV-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)CCCOC1 ZINC001575595962 950364884 /nfs/dbraw/zinc/36/48/84/950364884.db2.gz RBPRNBORVSPLFF-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)CCCOC1 ZINC001575595962 950364859 /nfs/dbraw/zinc/36/48/59/950364859.db2.gz RBPRNBORVSPLFF-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)CCCOC1 ZINC001575595963 950364602 /nfs/dbraw/zinc/36/46/02/950364602.db2.gz RBPRNBORVSPLFF-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)CCCOC1 ZINC001575595963 950364577 /nfs/dbraw/zinc/36/45/77/950364577.db2.gz RBPRNBORVSPLFF-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)CCCOC1 ZINC001575595965 950364477 /nfs/dbraw/zinc/36/44/77/950364477.db2.gz RBPRNBORVSPLFF-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)CCCOC1 ZINC001575595965 950364458 /nfs/dbraw/zinc/36/44/58/950364458.db2.gz RBPRNBORVSPLFF-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)CCCOC1 ZINC001575595967 950364748 /nfs/dbraw/zinc/36/47/48/950364748.db2.gz RBPRNBORVSPLFF-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)CCCOC1 ZINC001575595967 950364722 /nfs/dbraw/zinc/36/47/22/950364722.db2.gz RBPRNBORVSPLFF-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CCCOC1 ZINC001575595981 950363590 /nfs/dbraw/zinc/36/35/90/950363590.db2.gz REGYPXMQIDLFPP-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CCCOC1 ZINC001575595981 950363574 /nfs/dbraw/zinc/36/35/74/950363574.db2.gz REGYPXMQIDLFPP-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CCCOC1 ZINC001575595984 950362224 /nfs/dbraw/zinc/36/22/24/950362224.db2.gz REGYPXMQIDLFPP-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CCCOC1 ZINC001575595984 950362202 /nfs/dbraw/zinc/36/22/02/950362202.db2.gz REGYPXMQIDLFPP-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CCCOC1 ZINC001575595986 950363375 /nfs/dbraw/zinc/36/33/75/950363375.db2.gz REGYPXMQIDLFPP-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CCCOC1 ZINC001575595986 950363352 /nfs/dbraw/zinc/36/33/52/950363352.db2.gz REGYPXMQIDLFPP-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CCCOC1 ZINC001575595987 950363895 /nfs/dbraw/zinc/36/38/95/950363895.db2.gz REGYPXMQIDLFPP-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CCCOC1 ZINC001575595987 950363876 /nfs/dbraw/zinc/36/38/76/950363876.db2.gz REGYPXMQIDLFPP-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575596025 950368128 /nfs/dbraw/zinc/36/81/28/950368128.db2.gz ROTIGTZQOVLZBV-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575596025 950368111 /nfs/dbraw/zinc/36/81/11/950368111.db2.gz ROTIGTZQOVLZBV-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575596028 950366962 /nfs/dbraw/zinc/36/69/62/950366962.db2.gz ROTIGTZQOVLZBV-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575596028 950366939 /nfs/dbraw/zinc/36/69/39/950366939.db2.gz ROTIGTZQOVLZBV-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575596031 950367408 /nfs/dbraw/zinc/36/74/08/950367408.db2.gz ROTIGTZQOVLZBV-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575596031 950367392 /nfs/dbraw/zinc/36/73/92/950367392.db2.gz ROTIGTZQOVLZBV-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575596035 950370313 /nfs/dbraw/zinc/37/03/13/950370313.db2.gz ROTIGTZQOVLZBV-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575596035 950370297 /nfs/dbraw/zinc/37/02/97/950370297.db2.gz ROTIGTZQOVLZBV-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)CCOCC1 ZINC001575596174 950365998 /nfs/dbraw/zinc/36/59/98/950365998.db2.gz SDUQWULEVSFBKY-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)CCOCC1 ZINC001575596174 950365982 /nfs/dbraw/zinc/36/59/82/950365982.db2.gz SDUQWULEVSFBKY-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)CCOCC1 ZINC001575596177 950369718 /nfs/dbraw/zinc/36/97/18/950369718.db2.gz SDUQWULEVSFBKY-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)CCOCC1 ZINC001575596177 950369701 /nfs/dbraw/zinc/36/97/01/950369701.db2.gz SDUQWULEVSFBKY-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575596363 950372915 /nfs/dbraw/zinc/37/29/15/950372915.db2.gz DGMFYWXXKWLWSG-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575596363 950372894 /nfs/dbraw/zinc/37/28/94/950372894.db2.gz DGMFYWXXKWLWSG-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575596364 950372853 /nfs/dbraw/zinc/37/28/53/950372853.db2.gz DGMFYWXXKWLWSG-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575596364 950372835 /nfs/dbraw/zinc/37/28/35/950372835.db2.gz DGMFYWXXKWLWSG-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575596366 950373097 /nfs/dbraw/zinc/37/30/97/950373097.db2.gz DGMFYWXXKWLWSG-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575596366 950373071 /nfs/dbraw/zinc/37/30/71/950373071.db2.gz DGMFYWXXKWLWSG-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575596369 950371069 /nfs/dbraw/zinc/37/10/69/950371069.db2.gz DGMFYWXXKWLWSG-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575596369 950371053 /nfs/dbraw/zinc/37/10/53/950371053.db2.gz DGMFYWXXKWLWSG-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575596521 950375157 /nfs/dbraw/zinc/37/51/57/950375157.db2.gz FIQFMGWPBOIWTR-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575596521 950375136 /nfs/dbraw/zinc/37/51/36/950375136.db2.gz FIQFMGWPBOIWTR-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)CCCOC1 ZINC001575596522 950380231 /nfs/dbraw/zinc/38/02/31/950380231.db2.gz TUCGDFJLWLVXAQ-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)CCCOC1 ZINC001575596522 950380212 /nfs/dbraw/zinc/38/02/12/950380212.db2.gz TUCGDFJLWLVXAQ-PXAZEXFGSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575596523 950378479 /nfs/dbraw/zinc/37/84/79/950378479.db2.gz FIQFMGWPBOIWTR-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575596523 950378459 /nfs/dbraw/zinc/37/84/59/950378459.db2.gz FIQFMGWPBOIWTR-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)CCCOC1 ZINC001575596524 950376153 /nfs/dbraw/zinc/37/61/53/950376153.db2.gz TUCGDFJLWLVXAQ-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)CCCOC1 ZINC001575596524 950376131 /nfs/dbraw/zinc/37/61/31/950376131.db2.gz TUCGDFJLWLVXAQ-SJCJKPOMSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575596526 950377799 /nfs/dbraw/zinc/37/77/99/950377799.db2.gz FIQFMGWPBOIWTR-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575596526 950377773 /nfs/dbraw/zinc/37/77/73/950377773.db2.gz FIQFMGWPBOIWTR-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575596528 950379940 /nfs/dbraw/zinc/37/99/40/950379940.db2.gz FIQFMGWPBOIWTR-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575596528 950379918 /nfs/dbraw/zinc/37/99/18/950379918.db2.gz FIQFMGWPBOIWTR-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)CCCOC1 ZINC001575596541 950377397 /nfs/dbraw/zinc/37/73/97/950377397.db2.gz TUCGDFJLWLVXAQ-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)CCCOC1 ZINC001575596541 950377377 /nfs/dbraw/zinc/37/73/77/950377377.db2.gz TUCGDFJLWLVXAQ-SJKOYZFVSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)CCCOC1 ZINC001575596545 950376500 /nfs/dbraw/zinc/37/65/00/950376500.db2.gz TUCGDFJLWLVXAQ-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)CCCOC1 ZINC001575596545 950376475 /nfs/dbraw/zinc/37/64/75/950376475.db2.gz TUCGDFJLWLVXAQ-YVEFUNNKSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575596578 950375576 /nfs/dbraw/zinc/37/55/76/950375576.db2.gz GMHDYHJVSVKQSF-CZIZLABSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575596582 950382225 /nfs/dbraw/zinc/38/22/25/950382225.db2.gz GMHDYHJVSVKQSF-DINDLPBHSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575596587 950384684 /nfs/dbraw/zinc/38/46/84/950384684.db2.gz GMHDYHJVSVKQSF-RVPKQNPDSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575596590 950382686 /nfs/dbraw/zinc/38/26/86/950382686.db2.gz GMHDYHJVSVKQSF-VGTOOOLASA-N -1 1 385.432 -0.698 20 0 GBADMM CC1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001575596711 950381134 /nfs/dbraw/zinc/38/11/34/950381134.db2.gz VDZPNXPPZOJBCT-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001575596711 950381109 /nfs/dbraw/zinc/38/11/09/950381109.db2.gz VDZPNXPPZOJBCT-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001575596715 950383167 /nfs/dbraw/zinc/38/31/67/950383167.db2.gz VDZPNXPPZOJBCT-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001575596715 950383147 /nfs/dbraw/zinc/38/31/47/950383147.db2.gz VDZPNXPPZOJBCT-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)CCOCC1 ZINC001575596735 950383221 /nfs/dbraw/zinc/38/32/21/950383221.db2.gz VIEPWVDQEYAYNI-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)CCOCC1 ZINC001575596740 950389595 /nfs/dbraw/zinc/38/95/95/950389595.db2.gz VIEPWVDQEYAYNI-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CCOCC1 ZINC001575596888 950388493 /nfs/dbraw/zinc/38/84/93/950388493.db2.gz VYDAAKAPDCXMNZ-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CCOCC1 ZINC001575596888 950388470 /nfs/dbraw/zinc/38/84/70/950388470.db2.gz VYDAAKAPDCXMNZ-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)CCOCC1 ZINC001575596889 950386100 /nfs/dbraw/zinc/38/61/00/950386100.db2.gz VYDAAKAPDCXMNZ-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)CCOCC1 ZINC001575596889 950386083 /nfs/dbraw/zinc/38/60/83/950386083.db2.gz VYDAAKAPDCXMNZ-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)CCOCC1 ZINC001575597209 950403825 /nfs/dbraw/zinc/40/38/25/950403825.db2.gz YQICZEDXYTUFKJ-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)CCOCC1 ZINC001575597209 950403810 /nfs/dbraw/zinc/40/38/10/950403810.db2.gz YQICZEDXYTUFKJ-GFCCVEGCSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)CCOCC1 ZINC001575597210 950403740 /nfs/dbraw/zinc/40/37/40/950403740.db2.gz YQICZEDXYTUFKJ-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)CCOCC1 ZINC001575597210 950403728 /nfs/dbraw/zinc/40/37/28/950403728.db2.gz YQICZEDXYTUFKJ-LBPRGKRZSA-N -1 1 388.432 -0.205 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575597330 950411838 /nfs/dbraw/zinc/41/18/38/950411838.db2.gz OWFQUUMRHCDCTJ-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575597330 950411831 /nfs/dbraw/zinc/41/18/31/950411831.db2.gz OWFQUUMRHCDCTJ-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575597331 950411701 /nfs/dbraw/zinc/41/17/01/950411701.db2.gz OWFQUUMRHCDCTJ-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575597331 950411691 /nfs/dbraw/zinc/41/16/91/950411691.db2.gz OWFQUUMRHCDCTJ-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575597332 950411238 /nfs/dbraw/zinc/41/12/38/950411238.db2.gz OWFQUUMRHCDCTJ-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575597332 950411227 /nfs/dbraw/zinc/41/12/27/950411227.db2.gz OWFQUUMRHCDCTJ-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575597334 950410621 /nfs/dbraw/zinc/41/06/21/950410621.db2.gz OWFQUUMRHCDCTJ-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575597334 950410603 /nfs/dbraw/zinc/41/06/03/950410603.db2.gz OWFQUUMRHCDCTJ-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575597463 950412498 /nfs/dbraw/zinc/41/24/98/950412498.db2.gz QFCSGGFIRGQJLD-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575597463 950412480 /nfs/dbraw/zinc/41/24/80/950412480.db2.gz QFCSGGFIRGQJLD-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575597464 950411643 /nfs/dbraw/zinc/41/16/43/950411643.db2.gz QFCSGGFIRGQJLD-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575597464 950411636 /nfs/dbraw/zinc/41/16/36/950411636.db2.gz QFCSGGFIRGQJLD-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575597465 950410780 /nfs/dbraw/zinc/41/07/80/950410780.db2.gz QFCSGGFIRGQJLD-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575597465 950410766 /nfs/dbraw/zinc/41/07/66/950410766.db2.gz QFCSGGFIRGQJLD-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575597466 950412559 /nfs/dbraw/zinc/41/25/59/950412559.db2.gz QFCSGGFIRGQJLD-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575597466 950412541 /nfs/dbraw/zinc/41/25/41/950412541.db2.gz QFCSGGFIRGQJLD-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575597526 950415721 /nfs/dbraw/zinc/41/57/21/950415721.db2.gz SVESYLIDOLAJNH-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575597526 950415713 /nfs/dbraw/zinc/41/57/13/950415713.db2.gz SVESYLIDOLAJNH-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575597527 950415877 /nfs/dbraw/zinc/41/58/77/950415877.db2.gz SVESYLIDOLAJNH-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575597527 950415869 /nfs/dbraw/zinc/41/58/69/950415869.db2.gz SVESYLIDOLAJNH-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575597528 950416332 /nfs/dbraw/zinc/41/63/32/950416332.db2.gz SVESYLIDOLAJNH-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575597528 950416324 /nfs/dbraw/zinc/41/63/24/950416324.db2.gz SVESYLIDOLAJNH-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575597529 950415914 /nfs/dbraw/zinc/41/59/14/950415914.db2.gz SVESYLIDOLAJNH-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575597529 950415898 /nfs/dbraw/zinc/41/58/98/950415898.db2.gz SVESYLIDOLAJNH-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575597667 950416373 /nfs/dbraw/zinc/41/63/73/950416373.db2.gz UZPYLPPFUDVWGV-CZIZLABSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575597668 950415450 /nfs/dbraw/zinc/41/54/50/950415450.db2.gz UZPYLPPFUDVWGV-DINDLPBHSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575597689 950420089 /nfs/dbraw/zinc/42/00/89/950420089.db2.gz VPEVHGLYZXBUKG-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575597689 950420071 /nfs/dbraw/zinc/42/00/71/950420071.db2.gz VPEVHGLYZXBUKG-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575597690 950418844 /nfs/dbraw/zinc/41/88/44/950418844.db2.gz VPEVHGLYZXBUKG-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575597690 950418827 /nfs/dbraw/zinc/41/88/27/950418827.db2.gz VPEVHGLYZXBUKG-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575597745 950419273 /nfs/dbraw/zinc/41/92/73/950419273.db2.gz XJXGQZLDBZFELV-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575597745 950419261 /nfs/dbraw/zinc/41/92/61/950419261.db2.gz XJXGQZLDBZFELV-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575597746 950418770 /nfs/dbraw/zinc/41/87/70/950418770.db2.gz XJXGQZLDBZFELV-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575597746 950418754 /nfs/dbraw/zinc/41/87/54/950418754.db2.gz XJXGQZLDBZFELV-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575597747 950419841 /nfs/dbraw/zinc/41/98/41/950419841.db2.gz XJXGQZLDBZFELV-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575597747 950419831 /nfs/dbraw/zinc/41/98/31/950419831.db2.gz XJXGQZLDBZFELV-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575597748 950419242 /nfs/dbraw/zinc/41/92/42/950419242.db2.gz XJXGQZLDBZFELV-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575597748 950419231 /nfs/dbraw/zinc/41/92/31/950419231.db2.gz XJXGQZLDBZFELV-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575597874 950422319 /nfs/dbraw/zinc/42/23/19/950422319.db2.gz YNZNDACLKGBAKA-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575597874 950422300 /nfs/dbraw/zinc/42/23/00/950422300.db2.gz YNZNDACLKGBAKA-RVPKQNPDSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575597875 950422367 /nfs/dbraw/zinc/42/23/67/950422367.db2.gz YNZNDACLKGBAKA-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCNC(=O)C1 ZINC001575597875 950422348 /nfs/dbraw/zinc/42/23/48/950422348.db2.gz YNZNDACLKGBAKA-VGTOOOLASA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575599119 950427226 /nfs/dbraw/zinc/42/72/26/950427226.db2.gz DBUKCJKOABWCGK-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575599122 950426822 /nfs/dbraw/zinc/42/68/22/950426822.db2.gz DBUKCJKOABWCGK-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM CC1(C(=O)NCc2nc(CNc3ccnc(-c4nn[n-]n4)n3)cc(=O)[nH]2)CC1 ZINC001575599153 950429450 /nfs/dbraw/zinc/42/94/50/950429450.db2.gz FHVKPGIXDKRFFX-UHFFFAOYSA-N -1 1 382.388 -0.397 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575599180 950429306 /nfs/dbraw/zinc/42/93/06/950429306.db2.gz GMIKBMFNTXBXBN-FMTVUPSXSA-N -1 1 399.459 -0.166 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)CCNC(=O)C1 ZINC001575599182 950426779 /nfs/dbraw/zinc/42/67/79/950426779.db2.gz GMIKBMFNTXBXBN-SEDUGSJDSA-N -1 1 399.459 -0.166 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575599410 950429546 /nfs/dbraw/zinc/42/95/46/950429546.db2.gz IYRMPPLGVVAPPL-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575599410 950429532 /nfs/dbraw/zinc/42/95/32/950429532.db2.gz IYRMPPLGVVAPPL-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575599412 950427664 /nfs/dbraw/zinc/42/76/64/950427664.db2.gz IYRMPPLGVVAPPL-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575599412 950427645 /nfs/dbraw/zinc/42/76/45/950427645.db2.gz IYRMPPLGVVAPPL-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575599482 950433924 /nfs/dbraw/zinc/43/39/24/950433924.db2.gz KOEHINIRSDDDLR-BMIGLBTASA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575599482 950433907 /nfs/dbraw/zinc/43/39/07/950433907.db2.gz KOEHINIRSDDDLR-BMIGLBTASA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575599484 950433088 /nfs/dbraw/zinc/43/30/88/950433088.db2.gz KOEHINIRSDDDLR-MEBBXXQBSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575599484 950433081 /nfs/dbraw/zinc/43/30/81/950433081.db2.gz KOEHINIRSDDDLR-MEBBXXQBSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575600206 950441853 /nfs/dbraw/zinc/44/18/53/950441853.db2.gz VYTRXKDGTXAWOG-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575600206 950441842 /nfs/dbraw/zinc/44/18/42/950441842.db2.gz VYTRXKDGTXAWOG-DIFFPNOSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575600207 950440991 /nfs/dbraw/zinc/44/09/91/950440991.db2.gz VYTRXKDGTXAWOG-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575600207 950440980 /nfs/dbraw/zinc/44/09/80/950440980.db2.gz VYTRXKDGTXAWOG-PIGZYNQJSA-N -1 1 385.432 -0.342 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)CC(F)(F)C1 ZINC001575604487 950444873 /nfs/dbraw/zinc/44/48/73/950444873.db2.gz BCYLOKXTMOUAFX-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)CC(F)(F)C1 ZINC001575604487 950444861 /nfs/dbraw/zinc/44/48/61/950444861.db2.gz BCYLOKXTMOUAFX-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575604528 950446617 /nfs/dbraw/zinc/44/66/17/950446617.db2.gz BMEVDFGILABATC-ICVPUUMASA-N -1 1 397.443 -0.201 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575604528 950446612 /nfs/dbraw/zinc/44/66/12/950446612.db2.gz BMEVDFGILABATC-ICVPUUMASA-N -1 1 397.443 -0.201 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575604531 950444083 /nfs/dbraw/zinc/44/40/83/950444083.db2.gz BMEVDFGILABATC-XZLHDYMISA-N -1 1 397.443 -0.201 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)CCC(=O)NC1 ZINC001575604531 950444068 /nfs/dbraw/zinc/44/40/68/950444068.db2.gz BMEVDFGILABATC-XZLHDYMISA-N -1 1 397.443 -0.201 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)CC(F)(F)C1 ZINC001575604920 950451109 /nfs/dbraw/zinc/45/11/09/950451109.db2.gz FTLXGXITCIVWDP-BDAKNGLRSA-N -1 1 380.359 -0.242 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)CC(F)(F)C1 ZINC001575604920 950451095 /nfs/dbraw/zinc/45/10/95/950451095.db2.gz FTLXGXITCIVWDP-BDAKNGLRSA-N -1 1 380.359 -0.242 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)CC(F)(F)C1 ZINC001575604922 950448527 /nfs/dbraw/zinc/44/85/27/950448527.db2.gz FTLXGXITCIVWDP-RKDXNWHRSA-N -1 1 380.359 -0.242 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)CC(F)(F)C1 ZINC001575604922 950448513 /nfs/dbraw/zinc/44/85/13/950448513.db2.gz FTLXGXITCIVWDP-RKDXNWHRSA-N -1 1 380.359 -0.242 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCNC1=O ZINC001575605333 950458182 /nfs/dbraw/zinc/45/81/82/950458182.db2.gz HKNVZVFTQDPWCO-CZIZLABSSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCNC1=O ZINC001575605337 950457129 /nfs/dbraw/zinc/45/71/29/950457129.db2.gz HKNVZVFTQDPWCO-DINDLPBHSA-N -1 1 385.432 -0.556 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575605499 950462695 /nfs/dbraw/zinc/46/26/95/950462695.db2.gz IYRMPPLGVVAPPL-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575605499 950462678 /nfs/dbraw/zinc/46/26/78/950462678.db2.gz IYRMPPLGVVAPPL-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575605500 950466578 /nfs/dbraw/zinc/46/65/78/950466578.db2.gz IYRMPPLGVVAPPL-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575605500 950466567 /nfs/dbraw/zinc/46/65/67/950466567.db2.gz IYRMPPLGVVAPPL-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575605525 950469259 /nfs/dbraw/zinc/46/92/59/950469259.db2.gz KOEHINIRSDDDLR-BONVTDFDSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575605525 950469243 /nfs/dbraw/zinc/46/92/43/950469243.db2.gz KOEHINIRSDDDLR-BONVTDFDSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575605526 950469348 /nfs/dbraw/zinc/46/93/48/950469348.db2.gz KOEHINIRSDDDLR-ZUZCIYMTSA-N -1 1 392.445 -0.681 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575605526 950469338 /nfs/dbraw/zinc/46/93/38/950469338.db2.gz KOEHINIRSDDDLR-ZUZCIYMTSA-N -1 1 392.445 -0.681 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)CC(F)(F)C1 ZINC001575605592 950471854 /nfs/dbraw/zinc/47/18/54/950471854.db2.gz PJSGKEIOFYKSBE-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)CC(F)(F)C1 ZINC001575605592 950471844 /nfs/dbraw/zinc/47/18/44/950471844.db2.gz PJSGKEIOFYKSBE-NXEZZACHSA-N -1 1 380.359 -0.242 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575605801 950482799 /nfs/dbraw/zinc/48/27/99/950482799.db2.gz VBCAMKJGRUSNAB-LHAXHYPGSA-N -1 1 397.443 -0.201 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575605801 950482786 /nfs/dbraw/zinc/48/27/86/950482786.db2.gz VBCAMKJGRUSNAB-LHAXHYPGSA-N -1 1 397.443 -0.201 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCC(=O)NC1 ZINC001575605802 950481682 /nfs/dbraw/zinc/48/16/82/950481682.db2.gz VBCAMKJGRUSNAB-OVNJVVJPSA-N -1 1 397.443 -0.201 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCC(=O)NC1 ZINC001575605802 950481650 /nfs/dbraw/zinc/48/16/50/950481650.db2.gz VBCAMKJGRUSNAB-OVNJVVJPSA-N -1 1 397.443 -0.201 20 0 GBADMM CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CC(F)(F)C1 ZINC001575605858 950487011 /nfs/dbraw/zinc/48/70/11/950487011.db2.gz XLARTPNZBCYRLC-BDAKNGLRSA-N -1 1 380.359 -0.242 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575605916 950489785 /nfs/dbraw/zinc/48/97/85/950489785.db2.gz VYTRXKDGTXAWOG-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575605916 950489775 /nfs/dbraw/zinc/48/97/75/950489775.db2.gz VYTRXKDGTXAWOG-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575605917 950489631 /nfs/dbraw/zinc/48/96/31/950489631.db2.gz VYTRXKDGTXAWOG-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575605917 950489619 /nfs/dbraw/zinc/48/96/19/950489619.db2.gz VYTRXKDGTXAWOG-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575605935 950492245 /nfs/dbraw/zinc/49/22/45/950492245.db2.gz WXLTWYWPHHVOFZ-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575605935 950492229 /nfs/dbraw/zinc/49/22/29/950492229.db2.gz WXLTWYWPHHVOFZ-APPDUMDISA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575605936 950489973 /nfs/dbraw/zinc/48/99/73/950489973.db2.gz WXLTWYWPHHVOFZ-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575605936 950489960 /nfs/dbraw/zinc/48/99/60/950489960.db2.gz WXLTWYWPHHVOFZ-GTNSWQLSSA-N -1 1 385.432 -0.342 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575606614 950496050 /nfs/dbraw/zinc/49/60/50/950496050.db2.gz ATORNPCFEWGISY-CZIZLABSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575606617 950495312 /nfs/dbraw/zinc/49/53/12/950495312.db2.gz ATORNPCFEWGISY-DINDLPBHSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575606700 950498757 /nfs/dbraw/zinc/49/87/57/950498757.db2.gz CVZRBJSVIMIZNI-HFBDOXOYSA-N -1 1 392.445 -0.895 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575606701 950499315 /nfs/dbraw/zinc/49/93/15/950499315.db2.gz CVZRBJSVIMIZNI-WMFXKJRFSA-N -1 1 392.445 -0.895 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575606709 950500445 /nfs/dbraw/zinc/50/04/45/950500445.db2.gz DLGLNDLZNBTUIB-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575606709 950500434 /nfs/dbraw/zinc/50/04/34/950500434.db2.gz DLGLNDLZNBTUIB-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC(=O)NC1 ZINC001575606710 950498571 /nfs/dbraw/zinc/49/85/71/950498571.db2.gz DLGLNDLZNBTUIB-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC(=O)NC1 ZINC001575606710 950498560 /nfs/dbraw/zinc/49/85/60/950498560.db2.gz DLGLNDLZNBTUIB-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575607097 950502724 /nfs/dbraw/zinc/50/27/24/950502724.db2.gz HGXLTLUBEQCPHP-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575607097 950502707 /nfs/dbraw/zinc/50/27/07/950502707.db2.gz HGXLTLUBEQCPHP-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575607098 950503543 /nfs/dbraw/zinc/50/35/43/950503543.db2.gz HGXLTLUBEQCPHP-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575607098 950503518 /nfs/dbraw/zinc/50/35/18/950503518.db2.gz HGXLTLUBEQCPHP-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575607576 950509811 /nfs/dbraw/zinc/50/98/11/950509811.db2.gz KBXHDQZNNHFSGJ-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575607576 950509795 /nfs/dbraw/zinc/50/97/95/950509795.db2.gz KBXHDQZNNHFSGJ-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575607577 950508334 /nfs/dbraw/zinc/50/83/34/950508334.db2.gz KBXHDQZNNHFSGJ-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575607577 950508324 /nfs/dbraw/zinc/50/83/24/950508324.db2.gz KBXHDQZNNHFSGJ-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575607611 950508753 /nfs/dbraw/zinc/50/87/53/950508753.db2.gz LMBQSGFKRUVPEX-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575607611 950508737 /nfs/dbraw/zinc/50/87/37/950508737.db2.gz LMBQSGFKRUVPEX-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575607612 950506218 /nfs/dbraw/zinc/50/62/18/950506218.db2.gz LMBQSGFKRUVPEX-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575607612 950506195 /nfs/dbraw/zinc/50/61/95/950506195.db2.gz LMBQSGFKRUVPEX-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575608041 950511523 /nfs/dbraw/zinc/51/15/23/950511523.db2.gz MILXNUPTXZCFCN-HFBDOXOYSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCS1(=O)=O ZINC001575608041 950511499 /nfs/dbraw/zinc/51/14/99/950511499.db2.gz MILXNUPTXZCFCN-HFBDOXOYSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCS1(=O)=O ZINC001575608044 950514784 /nfs/dbraw/zinc/51/47/84/950514784.db2.gz MILXNUPTXZCFCN-WMFXKJRFSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCS1(=O)=O ZINC001575608044 950514770 /nfs/dbraw/zinc/51/47/70/950514770.db2.gz MILXNUPTXZCFCN-WMFXKJRFSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575608093 950513595 /nfs/dbraw/zinc/51/35/95/950513595.db2.gz MZKNAGFSQGTRAR-HFBDOXOYSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575608093 950513576 /nfs/dbraw/zinc/51/35/76/950513576.db2.gz MZKNAGFSQGTRAR-HFBDOXOYSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575608095 950514070 /nfs/dbraw/zinc/51/40/70/950514070.db2.gz MZKNAGFSQGTRAR-IQMDTDKHSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575608095 950514046 /nfs/dbraw/zinc/51/40/46/950514046.db2.gz MZKNAGFSQGTRAR-IQMDTDKHSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575608097 950513940 /nfs/dbraw/zinc/51/39/40/950513940.db2.gz MZKNAGFSQGTRAR-WMFXKJRFSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575608097 950513916 /nfs/dbraw/zinc/51/39/16/950513916.db2.gz MZKNAGFSQGTRAR-WMFXKJRFSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575608099 950514610 /nfs/dbraw/zinc/51/46/10/950514610.db2.gz MZKNAGFSQGTRAR-YHAQOWFVSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575608099 950514595 /nfs/dbraw/zinc/51/45/95/950514595.db2.gz MZKNAGFSQGTRAR-YHAQOWFVSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575608235 950512043 /nfs/dbraw/zinc/51/20/43/950512043.db2.gz OVUWLNYZSACOHL-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575608235 950512020 /nfs/dbraw/zinc/51/20/20/950512020.db2.gz OVUWLNYZSACOHL-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCNC(=O)C1 ZINC001575608238 950513474 /nfs/dbraw/zinc/51/34/74/950513474.db2.gz OVUWLNYZSACOHL-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCNC(=O)C1 ZINC001575608238 950513451 /nfs/dbraw/zinc/51/34/51/950513451.db2.gz OVUWLNYZSACOHL-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575608248 950511395 /nfs/dbraw/zinc/51/13/95/950511395.db2.gz OZTMIHONAFFJNU-IQMDTDKHSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575608248 950511377 /nfs/dbraw/zinc/51/13/77/950511377.db2.gz OZTMIHONAFFJNU-IQMDTDKHSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCS1(=O)=O ZINC001575608250 950517252 /nfs/dbraw/zinc/51/72/52/950517252.db2.gz OZTMIHONAFFJNU-YHAQOWFVSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCS1(=O)=O ZINC001575608250 950517242 /nfs/dbraw/zinc/51/72/42/950517242.db2.gz OZTMIHONAFFJNU-YHAQOWFVSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575608697 950516625 /nfs/dbraw/zinc/51/66/25/950516625.db2.gz QRZIWIVGYQEIBN-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575608697 950516606 /nfs/dbraw/zinc/51/66/06/950516606.db2.gz QRZIWIVGYQEIBN-CZIZLABSSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575608699 950517745 /nfs/dbraw/zinc/51/77/45/950517745.db2.gz QRZIWIVGYQEIBN-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575608699 950517731 /nfs/dbraw/zinc/51/77/31/950517731.db2.gz QRZIWIVGYQEIBN-DINDLPBHSA-N -1 1 385.432 -0.120 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575609159 950520265 /nfs/dbraw/zinc/52/02/65/950520265.db2.gz UDWNMCAJZQTXJO-CZIZLABSSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCNC(=O)C1 ZINC001575609160 950522336 /nfs/dbraw/zinc/52/23/36/950522336.db2.gz UDWNMCAJZQTXJO-DINDLPBHSA-N -1 1 385.432 -0.698 20 0 GBADMM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575614396 950530627 /nfs/dbraw/zinc/53/06/27/950530627.db2.gz ASRDWFYABPHGKU-LEGQTRPTSA-N -1 1 397.443 -0.201 20 0 GBADMM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)CCC(=O)NC1 ZINC001575614397 950529014 /nfs/dbraw/zinc/52/90/14/950529014.db2.gz ASRDWFYABPHGKU-XBQNPMMNSA-N -1 1 397.443 -0.201 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCC(=O)NC1 ZINC001575614421 950530427 /nfs/dbraw/zinc/53/04/27/950530427.db2.gz BQTNZLWZTNACBZ-IRLKHAEUSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCC(=O)NC1 ZINC001575614421 950530410 /nfs/dbraw/zinc/53/04/10/950530410.db2.gz BQTNZLWZTNACBZ-IRLKHAEUSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCC(=O)NC1 ZINC001575614422 950527738 /nfs/dbraw/zinc/52/77/38/950527738.db2.gz BQTNZLWZTNACBZ-ZEDKHECFSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCC(=O)NC1 ZINC001575614422 950527721 /nfs/dbraw/zinc/52/77/21/950527721.db2.gz BQTNZLWZTNACBZ-ZEDKHECFSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@]1(C(F)(F)F)CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001575614494 950534885 /nfs/dbraw/zinc/53/48/85/950534885.db2.gz FPLARIROPPZMHF-GFCCVEGCSA-N -1 1 389.294 -0.691 20 0 GBADMM C[C@@]1(C(F)(F)F)CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001575614495 950532489 /nfs/dbraw/zinc/53/24/89/950532489.db2.gz FPLARIROPPZMHF-LBPRGKRZSA-N -1 1 389.294 -0.691 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CCNC(=O)C1 ZINC001575614662 950543288 /nfs/dbraw/zinc/54/32/88/950543288.db2.gz LNZJNNMEQHKHSH-JRUYNEJOSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CCNC(=O)C1 ZINC001575614663 950548712 /nfs/dbraw/zinc/54/87/12/950548712.db2.gz LNZJNNMEQHKHSH-LOVKBYSESA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CCC(=O)NC1 ZINC001575614723 950548218 /nfs/dbraw/zinc/54/82/18/950548218.db2.gz NYWHPZOGHZINGW-XLKPWHTISA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CCC(=O)NC1 ZINC001575614723 950548198 /nfs/dbraw/zinc/54/81/98/950548198.db2.gz NYWHPZOGHZINGW-XLKPWHTISA-N -1 1 383.416 -0.876 20 0 GBADMM 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C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575614760 950553056 /nfs/dbraw/zinc/55/30/56/950553056.db2.gz OWWBKHSZMUSOQO-YHAQOWFVSA-N -1 1 392.445 -0.317 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CCC(=O)NC1 ZINC001575614820 950550770 /nfs/dbraw/zinc/55/07/70/950550770.db2.gz RBXBGUGBYYNQNJ-IRLKHAEUSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CCC(=O)NC1 ZINC001575614820 950550756 /nfs/dbraw/zinc/55/07/56/950550756.db2.gz RBXBGUGBYYNQNJ-IRLKHAEUSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CCC(=O)NC1 ZINC001575614821 950553412 /nfs/dbraw/zinc/55/34/12/950553412.db2.gz RBXBGUGBYYNQNJ-ZEDKHECFSA-N -1 1 383.416 -0.876 20 0 GBADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CCC(=O)NC1 ZINC001575614821 950553400 /nfs/dbraw/zinc/55/34/00/950553400.db2.gz RBXBGUGBYYNQNJ-ZEDKHECFSA-N -1 1 383.416 -0.876 20 0 GBADMM 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1 386.416 -0.175 20 0 GBADMM C[C@@]1(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCC(=O)N1 ZINC001575854087 949229821 /nfs/dbraw/zinc/22/98/21/949229821.db2.gz SATWONWJOBVBJB-KRWDZBQOSA-N -1 1 385.432 -0.460 20 0 GBADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)CN2CCOCC2)CC1 ZINC001575854407 949234284 /nfs/dbraw/zinc/23/42/84/949234284.db2.gz VDAWVRMPFDRISI-UHFFFAOYSA-N -1 1 387.448 -0.796 20 0 GBADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001575854440 949232337 /nfs/dbraw/zinc/23/23/37/949232337.db2.gz WZORGVRQPOLNQG-UHFFFAOYSA-N -1 1 382.388 -0.319 20 0 GBADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)CCn2ccnn2)CC1 ZINC001575854456 949233840 /nfs/dbraw/zinc/23/38/40/949233840.db2.gz XRPMKPZEBCANMW-UHFFFAOYSA-N -1 1 383.420 -0.447 20 0 GBADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC001575854466 949235051 /nfs/dbraw/zinc/23/50/51/949235051.db2.gz YEQDBXAQHGLJIU-LLVKDONJSA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC001575854466 949235033 /nfs/dbraw/zinc/23/50/33/949235033.db2.gz YEQDBXAQHGLJIU-LLVKDONJSA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001575854467 949234517 /nfs/dbraw/zinc/23/45/17/949234517.db2.gz YEQDBXAQHGLJIU-NSHDSACASA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001575854467 949234493 /nfs/dbraw/zinc/23/44/93/949234493.db2.gz YEQDBXAQHGLJIU-NSHDSACASA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001575854657 949239531 /nfs/dbraw/zinc/23/95/31/949239531.db2.gz ZFEIEIFGWQKIOB-UHFFFAOYSA-N -1 1 382.388 -0.319 20 0 GBADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001575855834 949237893 /nfs/dbraw/zinc/23/78/93/949237893.db2.gz AVWALGJZKYEMDC-LLVKDONJSA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001575855834 949237870 /nfs/dbraw/zinc/23/78/70/949237870.db2.gz AVWALGJZKYEMDC-LLVKDONJSA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001575855838 949241066 /nfs/dbraw/zinc/24/10/66/949241066.db2.gz AVWALGJZKYEMDC-NSHDSACASA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001575855838 949241048 /nfs/dbraw/zinc/24/10/48/949241048.db2.gz AVWALGJZKYEMDC-NSHDSACASA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001575855893 949239836 /nfs/dbraw/zinc/23/98/36/949239836.db2.gz BJLXDXJJVHZOJJ-UHFFFAOYSA-N -1 1 382.388 -0.153 20 0 GBADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001575855893 949239814 /nfs/dbraw/zinc/23/98/14/949239814.db2.gz BJLXDXJJVHZOJJ-UHFFFAOYSA-N -1 1 382.388 -0.153 20 0 GBADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCn2cnnn2)CC1 ZINC001575856395 949248999 /nfs/dbraw/zinc/24/89/99/949248999.db2.gz FQUKTJIRDYCTAW-UHFFFAOYSA-N -1 1 384.408 -0.474 20 0 GBADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCn2cnnn2)CC1 ZINC001575856395 949248975 /nfs/dbraw/zinc/24/89/75/949248975.db2.gz FQUKTJIRDYCTAW-UHFFFAOYSA-N -1 1 384.408 -0.474 20 0 GBADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001575856533 949250793 /nfs/dbraw/zinc/25/07/93/949250793.db2.gz GSTCEMBYDPRUMU-UHFFFAOYSA-N -1 1 392.445 -0.506 20 0 GBADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001575856533 949250765 /nfs/dbraw/zinc/25/07/65/949250765.db2.gz GSTCEMBYDPRUMU-UHFFFAOYSA-N -1 1 392.445 -0.506 20 0 GBADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC001575856874 949254424 /nfs/dbraw/zinc/25/44/24/949254424.db2.gz KVTYMVRUMWQQMJ-LLVKDONJSA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC001575856874 949254405 /nfs/dbraw/zinc/25/44/05/949254405.db2.gz KVTYMVRUMWQQMJ-LLVKDONJSA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001575856879 949256251 /nfs/dbraw/zinc/25/62/51/949256251.db2.gz KVTYMVRUMWQQMJ-NSHDSACASA-N -1 1 385.432 -0.024 20 0 GBADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001575856879 949256238 /nfs/dbraw/zinc/25/62/38/949256238.db2.gz KVTYMVRUMWQQMJ-NSHDSACASA-N -1 1 385.432 -0.024 20 0 GBADMM C[C@]12CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(F)c3)C[C@@]1(C)C(=O)NC2=O ZINC001575860456 949300551 /nfs/dbraw/zinc/30/05/51/949300551.db2.gz ISBHRFNACNAVKD-GASCZTMLSA-N -1 1 394.388 -0.321 20 0 GBADMM C[C@@]12CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(F)c3)C[C@@]1(C)C(=O)NC2=O ZINC001575860457 949301733 /nfs/dbraw/zinc/30/17/33/949301733.db2.gz ISBHRFNACNAVKD-GJZGRUSLSA-N -1 1 394.388 -0.321 20 0 GBADMM C[C@]12CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(F)c3)C[C@]1(C)C(=O)NC2=O ZINC001575860458 949304460 /nfs/dbraw/zinc/30/44/60/949304460.db2.gz ISBHRFNACNAVKD-HUUCEWRRSA-N -1 1 394.388 -0.321 20 0 GBADMM CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001575863280 949347598 /nfs/dbraw/zinc/34/75/98/949347598.db2.gz BHHLZRLIEAOVTK-UHFFFAOYSA-N -1 1 377.390 -0.059 20 0 GBADMM C[C@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575865811 949382512 /nfs/dbraw/zinc/38/25/12/949382512.db2.gz BYMHDNPGJPUKSI-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575865811 949382488 /nfs/dbraw/zinc/38/24/88/949382488.db2.gz BYMHDNPGJPUKSI-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575865813 949382897 /nfs/dbraw/zinc/38/28/97/949382897.db2.gz BYMHDNPGJPUKSI-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575865813 949382875 /nfs/dbraw/zinc/38/28/75/949382875.db2.gz BYMHDNPGJPUKSI-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575865815 949387074 /nfs/dbraw/zinc/38/70/74/949387074.db2.gz BYMHDNPGJPUKSI-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575865815 949387053 /nfs/dbraw/zinc/38/70/53/949387053.db2.gz BYMHDNPGJPUKSI-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575865817 949384861 /nfs/dbraw/zinc/38/48/61/949384861.db2.gz BYMHDNPGJPUKSI-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575865817 949384839 /nfs/dbraw/zinc/38/48/39/949384839.db2.gz BYMHDNPGJPUKSI-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1C(=O)CC[C@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001575866329 949403840 /nfs/dbraw/zinc/40/38/40/949403840.db2.gz RVVDABHOMOQWBW-GXSJLCMTSA-N -1 1 389.416 -0.113 20 0 GBADMM C[C@@H]1C(=O)CC[C@@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001575866330 949402895 /nfs/dbraw/zinc/40/28/95/949402895.db2.gz RVVDABHOMOQWBW-KOLCDFICSA-N -1 1 389.416 -0.113 20 0 GBADMM C[C@@H]1C(=O)CC[C@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001575866331 949402757 /nfs/dbraw/zinc/40/27/57/949402757.db2.gz RVVDABHOMOQWBW-MWLCHTKSSA-N -1 1 389.416 -0.113 20 0 GBADMM C[C@H]1C(=O)CC[C@@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001575866332 949402937 /nfs/dbraw/zinc/40/29/37/949402937.db2.gz RVVDABHOMOQWBW-ONGXEEELSA-N -1 1 389.416 -0.113 20 0 GBADMM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871513 949513729 /nfs/dbraw/zinc/51/37/29/949513729.db2.gz ADTXJDZGWLQNQH-GXSJLCMTSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871513 949513711 /nfs/dbraw/zinc/51/37/11/949513711.db2.gz ADTXJDZGWLQNQH-GXSJLCMTSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871517 949515118 /nfs/dbraw/zinc/51/51/18/949515118.db2.gz ADTXJDZGWLQNQH-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871517 949515103 /nfs/dbraw/zinc/51/51/03/949515103.db2.gz ADTXJDZGWLQNQH-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871519 949513566 /nfs/dbraw/zinc/51/35/66/949513566.db2.gz ADTXJDZGWLQNQH-MWLCHTKSSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871519 949513543 /nfs/dbraw/zinc/51/35/43/949513543.db2.gz ADTXJDZGWLQNQH-MWLCHTKSSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871520 949516175 /nfs/dbraw/zinc/51/61/75/949516175.db2.gz ADTXJDZGWLQNQH-ONGXEEELSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871520 949516161 /nfs/dbraw/zinc/51/61/61/949516161.db2.gz ADTXJDZGWLQNQH-ONGXEEELSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873218 949572459 /nfs/dbraw/zinc/57/24/59/949572459.db2.gz ADWLMOQOTKZLIV-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873218 949572447 /nfs/dbraw/zinc/57/24/47/949572447.db2.gz ADWLMOQOTKZLIV-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873219 949571033 /nfs/dbraw/zinc/57/10/33/949571033.db2.gz ADWLMOQOTKZLIV-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873219 949571008 /nfs/dbraw/zinc/57/10/08/949571008.db2.gz ADWLMOQOTKZLIV-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873220 949570461 /nfs/dbraw/zinc/57/04/61/949570461.db2.gz ADWLMOQOTKZLIV-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873220 949570455 /nfs/dbraw/zinc/57/04/55/949570455.db2.gz ADWLMOQOTKZLIV-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873221 949570765 /nfs/dbraw/zinc/57/07/65/949570765.db2.gz ADWLMOQOTKZLIV-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873221 949570748 /nfs/dbraw/zinc/57/07/48/949570748.db2.gz ADWLMOQOTKZLIV-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873230 949573832 /nfs/dbraw/zinc/57/38/32/949573832.db2.gz AGWANPCINKITGU-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873230 949573806 /nfs/dbraw/zinc/57/38/06/949573806.db2.gz AGWANPCINKITGU-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873231 949573772 /nfs/dbraw/zinc/57/37/72/949573772.db2.gz AGWANPCINKITGU-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873231 949573749 /nfs/dbraw/zinc/57/37/49/949573749.db2.gz AGWANPCINKITGU-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873232 949571628 /nfs/dbraw/zinc/57/16/28/949571628.db2.gz AGWANPCINKITGU-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873232 949571604 /nfs/dbraw/zinc/57/16/04/949571604.db2.gz AGWANPCINKITGU-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873233 949572934 /nfs/dbraw/zinc/57/29/34/949572934.db2.gz AGWANPCINKITGU-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873233 949572905 /nfs/dbraw/zinc/57/29/05/949572905.db2.gz AGWANPCINKITGU-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873512 949580315 /nfs/dbraw/zinc/58/03/15/949580315.db2.gz PPMITAIBEOWLBC-GXSJLCMTSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873512 949580301 /nfs/dbraw/zinc/58/03/01/949580301.db2.gz PPMITAIBEOWLBC-GXSJLCMTSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873513 949581478 /nfs/dbraw/zinc/58/14/78/949581478.db2.gz PPMITAIBEOWLBC-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873513 949581461 /nfs/dbraw/zinc/58/14/61/949581461.db2.gz PPMITAIBEOWLBC-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873515 949582325 /nfs/dbraw/zinc/58/23/25/949582325.db2.gz PPMITAIBEOWLBC-MWLCHTKSSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873515 949582302 /nfs/dbraw/zinc/58/23/02/949582302.db2.gz PPMITAIBEOWLBC-MWLCHTKSSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873517 949580585 /nfs/dbraw/zinc/58/05/85/949580585.db2.gz PPMITAIBEOWLBC-ONGXEEELSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873517 949580572 /nfs/dbraw/zinc/58/05/72/949580572.db2.gz PPMITAIBEOWLBC-ONGXEEELSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873532 949582794 /nfs/dbraw/zinc/58/27/94/949582794.db2.gz PRSDUHHTIZFPCO-GXSJLCMTSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873532 949582775 /nfs/dbraw/zinc/58/27/75/949582775.db2.gz PRSDUHHTIZFPCO-GXSJLCMTSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873535 949583551 /nfs/dbraw/zinc/58/35/51/949583551.db2.gz PRSDUHHTIZFPCO-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873535 949583536 /nfs/dbraw/zinc/58/35/36/949583536.db2.gz PRSDUHHTIZFPCO-KOLCDFICSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873538 949583365 /nfs/dbraw/zinc/58/33/65/949583365.db2.gz PRSDUHHTIZFPCO-MWLCHTKSSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873538 949583354 /nfs/dbraw/zinc/58/33/54/949583354.db2.gz PRSDUHHTIZFPCO-MWLCHTKSSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873541 949579829 /nfs/dbraw/zinc/57/98/29/949579829.db2.gz PRSDUHHTIZFPCO-ONGXEEELSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873541 949579809 /nfs/dbraw/zinc/57/98/09/949579809.db2.gz PRSDUHHTIZFPCO-ONGXEEELSA-N -1 1 392.445 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873754 949590231 /nfs/dbraw/zinc/59/02/31/949590231.db2.gz CKXSZIDBADWQFS-GHMZBOCLSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873754 949590212 /nfs/dbraw/zinc/59/02/12/949590212.db2.gz CKXSZIDBADWQFS-GHMZBOCLSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873756 949593362 /nfs/dbraw/zinc/59/33/62/949593362.db2.gz CKXSZIDBADWQFS-MNOVXSKESA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873756 949593342 /nfs/dbraw/zinc/59/33/42/949593342.db2.gz CKXSZIDBADWQFS-MNOVXSKESA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873758 949591297 /nfs/dbraw/zinc/59/12/97/949591297.db2.gz CKXSZIDBADWQFS-QWRGUYRKSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873758 949591283 /nfs/dbraw/zinc/59/12/83/949591283.db2.gz CKXSZIDBADWQFS-QWRGUYRKSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873762 949589703 /nfs/dbraw/zinc/58/97/03/949589703.db2.gz CKXSZIDBADWQFS-WDEREUQCSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873762 949589688 /nfs/dbraw/zinc/58/96/88/949589688.db2.gz CKXSZIDBADWQFS-WDEREUQCSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873964 949596922 /nfs/dbraw/zinc/59/69/22/949596922.db2.gz CVNGJJVZDORQTO-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873964 949596907 /nfs/dbraw/zinc/59/69/07/949596907.db2.gz CVNGJJVZDORQTO-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873965 949594613 /nfs/dbraw/zinc/59/46/13/949594613.db2.gz CVNGJJVZDORQTO-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873965 949594593 /nfs/dbraw/zinc/59/45/93/949594593.db2.gz CVNGJJVZDORQTO-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873966 949597256 /nfs/dbraw/zinc/59/72/56/949597256.db2.gz CVNGJJVZDORQTO-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873966 949597249 /nfs/dbraw/zinc/59/72/49/949597249.db2.gz CVNGJJVZDORQTO-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873967 949597220 /nfs/dbraw/zinc/59/72/20/949597220.db2.gz CVNGJJVZDORQTO-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873967 949597211 /nfs/dbraw/zinc/59/72/11/949597211.db2.gz CVNGJJVZDORQTO-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874004 949601107 /nfs/dbraw/zinc/60/11/07/949601107.db2.gz DIBMPNUDGRKREZ-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874004 949601093 /nfs/dbraw/zinc/60/10/93/949601093.db2.gz DIBMPNUDGRKREZ-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874005 949601227 /nfs/dbraw/zinc/60/12/27/949601227.db2.gz DIBMPNUDGRKREZ-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874005 949601208 /nfs/dbraw/zinc/60/12/08/949601208.db2.gz DIBMPNUDGRKREZ-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874006 949602578 /nfs/dbraw/zinc/60/25/78/949602578.db2.gz DIBMPNUDGRKREZ-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874006 949602570 /nfs/dbraw/zinc/60/25/70/949602570.db2.gz DIBMPNUDGRKREZ-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874009 949600460 /nfs/dbraw/zinc/60/04/60/949600460.db2.gz DIBMPNUDGRKREZ-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874009 949600440 /nfs/dbraw/zinc/60/04/40/949600440.db2.gz DIBMPNUDGRKREZ-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874059 949602495 /nfs/dbraw/zinc/60/24/95/949602495.db2.gz DXAMKWAZLAMMJO-CHWSQXEVSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874059 949602485 /nfs/dbraw/zinc/60/24/85/949602485.db2.gz DXAMKWAZLAMMJO-CHWSQXEVSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874062 949599349 /nfs/dbraw/zinc/59/93/49/949599349.db2.gz DXAMKWAZLAMMJO-OLZOCXBDSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874062 949599332 /nfs/dbraw/zinc/59/93/32/949599332.db2.gz DXAMKWAZLAMMJO-OLZOCXBDSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874065 949600862 /nfs/dbraw/zinc/60/08/62/949600862.db2.gz DXAMKWAZLAMMJO-QWHCGFSZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874065 949600848 /nfs/dbraw/zinc/60/08/48/949600848.db2.gz DXAMKWAZLAMMJO-QWHCGFSZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874068 949601035 /nfs/dbraw/zinc/60/10/35/949601035.db2.gz DXAMKWAZLAMMJO-STQMWFEESA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874068 949601021 /nfs/dbraw/zinc/60/10/21/949601021.db2.gz DXAMKWAZLAMMJO-STQMWFEESA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874071 949601659 /nfs/dbraw/zinc/60/16/59/949601659.db2.gz DYFJEACRPRHOBY-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874073 949602206 /nfs/dbraw/zinc/60/22/06/949602206.db2.gz DYFJEACRPRHOBY-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874076 949602294 /nfs/dbraw/zinc/60/22/94/949602294.db2.gz DYFJEACRPRHOBY-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874078 949600058 /nfs/dbraw/zinc/60/00/58/949600058.db2.gz DYFJEACRPRHOBY-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874368 949610145 /nfs/dbraw/zinc/61/01/45/949610145.db2.gz GELNYORDIFWGHH-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874368 949610132 /nfs/dbraw/zinc/61/01/32/949610132.db2.gz GELNYORDIFWGHH-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874369 949610395 /nfs/dbraw/zinc/61/03/95/949610395.db2.gz GELNYORDIFWGHH-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874369 949610380 /nfs/dbraw/zinc/61/03/80/949610380.db2.gz GELNYORDIFWGHH-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874370 949611546 /nfs/dbraw/zinc/61/15/46/949611546.db2.gz GELNYORDIFWGHH-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874370 949611536 /nfs/dbraw/zinc/61/15/36/949611536.db2.gz GELNYORDIFWGHH-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874371 949611585 /nfs/dbraw/zinc/61/15/85/949611585.db2.gz GELNYORDIFWGHH-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874371 949611572 /nfs/dbraw/zinc/61/15/72/949611572.db2.gz GELNYORDIFWGHH-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874780 949618327 /nfs/dbraw/zinc/61/83/27/949618327.db2.gz GXHDEMRYFXSAMB-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874780 949618311 /nfs/dbraw/zinc/61/83/11/949618311.db2.gz GXHDEMRYFXSAMB-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874781 949618231 /nfs/dbraw/zinc/61/82/31/949618231.db2.gz GXHDEMRYFXSAMB-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874781 949618210 /nfs/dbraw/zinc/61/82/10/949618210.db2.gz GXHDEMRYFXSAMB-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874782 949619866 /nfs/dbraw/zinc/61/98/66/949619866.db2.gz GXHDEMRYFXSAMB-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874782 949619852 /nfs/dbraw/zinc/61/98/52/949619852.db2.gz GXHDEMRYFXSAMB-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874783 949619254 /nfs/dbraw/zinc/61/92/54/949619254.db2.gz GXHDEMRYFXSAMB-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874783 949619239 /nfs/dbraw/zinc/61/92/39/949619239.db2.gz GXHDEMRYFXSAMB-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874804 949624874 /nfs/dbraw/zinc/62/48/74/949624874.db2.gz HBEGRHJCSNVWNI-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874804 949624857 /nfs/dbraw/zinc/62/48/57/949624857.db2.gz HBEGRHJCSNVWNI-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874805 949624649 /nfs/dbraw/zinc/62/46/49/949624649.db2.gz HBEGRHJCSNVWNI-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874805 949624633 /nfs/dbraw/zinc/62/46/33/949624633.db2.gz HBEGRHJCSNVWNI-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874806 949623653 /nfs/dbraw/zinc/62/36/53/949623653.db2.gz HBEGRHJCSNVWNI-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874806 949623642 /nfs/dbraw/zinc/62/36/42/949623642.db2.gz HBEGRHJCSNVWNI-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874807 949621998 /nfs/dbraw/zinc/62/19/98/949621998.db2.gz HBEGRHJCSNVWNI-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874807 949621983 /nfs/dbraw/zinc/62/19/83/949621983.db2.gz HBEGRHJCSNVWNI-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874812 949623698 /nfs/dbraw/zinc/62/36/98/949623698.db2.gz HCSGSKYVJZFFDS-CHWSQXEVSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874812 949623689 /nfs/dbraw/zinc/62/36/89/949623689.db2.gz HCSGSKYVJZFFDS-CHWSQXEVSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874813 949624731 /nfs/dbraw/zinc/62/47/31/949624731.db2.gz HCSGSKYVJZFFDS-OLZOCXBDSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874813 949624716 /nfs/dbraw/zinc/62/47/16/949624716.db2.gz HCSGSKYVJZFFDS-OLZOCXBDSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874814 949622257 /nfs/dbraw/zinc/62/22/57/949622257.db2.gz HCSGSKYVJZFFDS-QWHCGFSZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874814 949622239 /nfs/dbraw/zinc/62/22/39/949622239.db2.gz HCSGSKYVJZFFDS-QWHCGFSZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874815 949621945 /nfs/dbraw/zinc/62/19/45/949621945.db2.gz HCSGSKYVJZFFDS-STQMWFEESA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874815 949621927 /nfs/dbraw/zinc/62/19/27/949621927.db2.gz HCSGSKYVJZFFDS-STQMWFEESA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575875595 949637094 /nfs/dbraw/zinc/63/70/94/949637094.db2.gz IPNKCPHWSYYAPE-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575875595 949637079 /nfs/dbraw/zinc/63/70/79/949637079.db2.gz IPNKCPHWSYYAPE-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575875597 949637120 /nfs/dbraw/zinc/63/71/20/949637120.db2.gz IPNKCPHWSYYAPE-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575875597 949637111 /nfs/dbraw/zinc/63/71/11/949637111.db2.gz IPNKCPHWSYYAPE-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575875601 949638026 /nfs/dbraw/zinc/63/80/26/949638026.db2.gz IPNKCPHWSYYAPE-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575875601 949638014 /nfs/dbraw/zinc/63/80/14/949638014.db2.gz IPNKCPHWSYYAPE-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575875607 949635800 /nfs/dbraw/zinc/63/58/00/949635800.db2.gz IPNKCPHWSYYAPE-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575875607 949635789 /nfs/dbraw/zinc/63/57/89/949635789.db2.gz IPNKCPHWSYYAPE-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575876569 949647329 /nfs/dbraw/zinc/64/73/29/949647329.db2.gz JUUSAEDWHSFIHR-GHMZBOCLSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575876576 949647067 /nfs/dbraw/zinc/64/70/67/949647067.db2.gz JUUSAEDWHSFIHR-MNOVXSKESA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575876578 949646767 /nfs/dbraw/zinc/64/67/67/949646767.db2.gz JUUSAEDWHSFIHR-QWRGUYRKSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575876581 949647015 /nfs/dbraw/zinc/64/70/15/949647015.db2.gz JUUSAEDWHSFIHR-WDEREUQCSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877760 949671924 /nfs/dbraw/zinc/67/19/24/949671924.db2.gz MVLAXXCLNZKDJE-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877760 949671911 /nfs/dbraw/zinc/67/19/11/949671911.db2.gz MVLAXXCLNZKDJE-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877763 949672090 /nfs/dbraw/zinc/67/20/90/949672090.db2.gz MVLAXXCLNZKDJE-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877763 949672078 /nfs/dbraw/zinc/67/20/78/949672078.db2.gz MVLAXXCLNZKDJE-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877764 949672134 /nfs/dbraw/zinc/67/21/34/949672134.db2.gz MVLAXXCLNZKDJE-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877764 949672124 /nfs/dbraw/zinc/67/21/24/949672124.db2.gz MVLAXXCLNZKDJE-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877765 949672742 /nfs/dbraw/zinc/67/27/42/949672742.db2.gz MVLAXXCLNZKDJE-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877765 949672734 /nfs/dbraw/zinc/67/27/34/949672734.db2.gz MVLAXXCLNZKDJE-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575878235 949675992 /nfs/dbraw/zinc/67/59/92/949675992.db2.gz OCOGNFUASVQZCC-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575878237 949674452 /nfs/dbraw/zinc/67/44/52/949674452.db2.gz OCOGNFUASVQZCC-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575878239 949674197 /nfs/dbraw/zinc/67/41/97/949674197.db2.gz OCOGNFUASVQZCC-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575878240 949675409 /nfs/dbraw/zinc/67/54/09/949675409.db2.gz OCOGNFUASVQZCC-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878757 949681168 /nfs/dbraw/zinc/68/11/68/949681168.db2.gz OWXIOKCGAYOQPO-GHMZBOCLSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878757 949681158 /nfs/dbraw/zinc/68/11/58/949681158.db2.gz OWXIOKCGAYOQPO-GHMZBOCLSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878758 949680102 /nfs/dbraw/zinc/68/01/02/949680102.db2.gz OWXIOKCGAYOQPO-MNOVXSKESA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878758 949680085 /nfs/dbraw/zinc/68/00/85/949680085.db2.gz OWXIOKCGAYOQPO-MNOVXSKESA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878759 949679023 /nfs/dbraw/zinc/67/90/23/949679023.db2.gz OWXIOKCGAYOQPO-QWRGUYRKSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878759 949678993 /nfs/dbraw/zinc/67/89/93/949678993.db2.gz OWXIOKCGAYOQPO-QWRGUYRKSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878760 949681240 /nfs/dbraw/zinc/68/12/40/949681240.db2.gz OWXIOKCGAYOQPO-WDEREUQCSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878760 949681232 /nfs/dbraw/zinc/68/12/32/949681232.db2.gz OWXIOKCGAYOQPO-WDEREUQCSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878825 949685788 /nfs/dbraw/zinc/68/57/88/949685788.db2.gz PMRWJWWZIIGUSO-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878825 949685767 /nfs/dbraw/zinc/68/57/67/949685767.db2.gz PMRWJWWZIIGUSO-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878826 949684315 /nfs/dbraw/zinc/68/43/15/949684315.db2.gz PMRWJWWZIIGUSO-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878826 949684300 /nfs/dbraw/zinc/68/43/00/949684300.db2.gz PMRWJWWZIIGUSO-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878827 949683920 /nfs/dbraw/zinc/68/39/20/949683920.db2.gz PMRWJWWZIIGUSO-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878827 949683904 /nfs/dbraw/zinc/68/39/04/949683904.db2.gz PMRWJWWZIIGUSO-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878828 949683113 /nfs/dbraw/zinc/68/31/13/949683113.db2.gz PMRWJWWZIIGUSO-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878828 949683098 /nfs/dbraw/zinc/68/30/98/949683098.db2.gz PMRWJWWZIIGUSO-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575879222 949684651 /nfs/dbraw/zinc/68/46/51/949684651.db2.gz PRGJFLRFMSJFFD-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575879226 949685862 /nfs/dbraw/zinc/68/58/62/949685862.db2.gz PRGJFLRFMSJFFD-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575879228 949683809 /nfs/dbraw/zinc/68/38/09/949683809.db2.gz PRGJFLRFMSJFFD-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575879232 949686273 /nfs/dbraw/zinc/68/62/73/949686273.db2.gz PRGJFLRFMSJFFD-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575879429 949688111 /nfs/dbraw/zinc/68/81/11/949688111.db2.gz QVWPWOVTDLIIIY-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575879429 949688092 /nfs/dbraw/zinc/68/80/92/949688092.db2.gz QVWPWOVTDLIIIY-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575879430 949687835 /nfs/dbraw/zinc/68/78/35/949687835.db2.gz QVWPWOVTDLIIIY-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575879430 949687821 /nfs/dbraw/zinc/68/78/21/949687821.db2.gz QVWPWOVTDLIIIY-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575879431 949688586 /nfs/dbraw/zinc/68/85/86/949688586.db2.gz QVWPWOVTDLIIIY-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575879431 949688568 /nfs/dbraw/zinc/68/85/68/949688568.db2.gz QVWPWOVTDLIIIY-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575879432 949690762 /nfs/dbraw/zinc/69/07/62/949690762.db2.gz QVWPWOVTDLIIIY-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575879432 949690743 /nfs/dbraw/zinc/69/07/43/949690743.db2.gz QVWPWOVTDLIIIY-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575880553 949705023 /nfs/dbraw/zinc/70/50/23/949705023.db2.gz UJTSOEAIXWDPSL-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575880553 949705008 /nfs/dbraw/zinc/70/50/08/949705008.db2.gz UJTSOEAIXWDPSL-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575880555 949704956 /nfs/dbraw/zinc/70/49/56/949704956.db2.gz UJTSOEAIXWDPSL-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575880555 949704945 /nfs/dbraw/zinc/70/49/45/949704945.db2.gz UJTSOEAIXWDPSL-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575880556 949702218 /nfs/dbraw/zinc/70/22/18/949702218.db2.gz UJTSOEAIXWDPSL-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575880556 949702210 /nfs/dbraw/zinc/70/22/10/949702210.db2.gz UJTSOEAIXWDPSL-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575880558 949703615 /nfs/dbraw/zinc/70/36/15/949703615.db2.gz UJTSOEAIXWDPSL-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575880558 949703600 /nfs/dbraw/zinc/70/36/00/949703600.db2.gz UJTSOEAIXWDPSL-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575880568 949704582 /nfs/dbraw/zinc/70/45/82/949704582.db2.gz ULVKIVDZQYITLA-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575880568 949704559 /nfs/dbraw/zinc/70/45/59/949704559.db2.gz ULVKIVDZQYITLA-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575880570 949701703 /nfs/dbraw/zinc/70/17/03/949701703.db2.gz ULVKIVDZQYITLA-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575880570 949701689 /nfs/dbraw/zinc/70/16/89/949701689.db2.gz ULVKIVDZQYITLA-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575880571 949704268 /nfs/dbraw/zinc/70/42/68/949704268.db2.gz ULVKIVDZQYITLA-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575880571 949704252 /nfs/dbraw/zinc/70/42/52/949704252.db2.gz ULVKIVDZQYITLA-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575880573 949705517 /nfs/dbraw/zinc/70/55/17/949705517.db2.gz ULVKIVDZQYITLA-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575880573 949705504 /nfs/dbraw/zinc/70/55/04/949705504.db2.gz ULVKIVDZQYITLA-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880609 949701858 /nfs/dbraw/zinc/70/18/58/949701858.db2.gz UYEBMRFLXQBZHY-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880610 949705058 /nfs/dbraw/zinc/70/50/58/949705058.db2.gz UYEBMRFLXQBZHY-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880611 949704429 /nfs/dbraw/zinc/70/44/29/949704429.db2.gz UYEBMRFLXQBZHY-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880613 949705272 /nfs/dbraw/zinc/70/52/72/949705272.db2.gz UYEBMRFLXQBZHY-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880966 949711473 /nfs/dbraw/zinc/71/14/73/949711473.db2.gz WINKGZWUENYDGP-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880966 949711458 /nfs/dbraw/zinc/71/14/58/949711458.db2.gz WINKGZWUENYDGP-NXEZZACHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880968 949715702 /nfs/dbraw/zinc/71/57/02/949715702.db2.gz WINKGZWUENYDGP-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880968 949715682 /nfs/dbraw/zinc/71/56/82/949715682.db2.gz WINKGZWUENYDGP-UWVGGRQHSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880971 949716135 /nfs/dbraw/zinc/71/61/35/949716135.db2.gz WINKGZWUENYDGP-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880971 949716123 /nfs/dbraw/zinc/71/61/23/949716123.db2.gz WINKGZWUENYDGP-VHSXEESVSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880973 949714218 /nfs/dbraw/zinc/71/42/18/949714218.db2.gz WINKGZWUENYDGP-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880973 949714183 /nfs/dbraw/zinc/71/41/83/949714183.db2.gz WINKGZWUENYDGP-ZJUUUORDSA-N -1 1 380.434 -0.825 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881264 949715226 /nfs/dbraw/zinc/71/52/26/949715226.db2.gz XALBFUQKQJOKAA-GHMZBOCLSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881264 949715207 /nfs/dbraw/zinc/71/52/07/949715207.db2.gz XALBFUQKQJOKAA-GHMZBOCLSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881265 949715531 /nfs/dbraw/zinc/71/55/31/949715531.db2.gz XALBFUQKQJOKAA-MNOVXSKESA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881265 949715516 /nfs/dbraw/zinc/71/55/16/949715516.db2.gz XALBFUQKQJOKAA-MNOVXSKESA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881266 949714284 /nfs/dbraw/zinc/71/42/84/949714284.db2.gz XALBFUQKQJOKAA-QWRGUYRKSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cnnn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881266 949714265 /nfs/dbraw/zinc/71/42/65/949714265.db2.gz XALBFUQKQJOKAA-QWRGUYRKSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881267 949713522 /nfs/dbraw/zinc/71/35/22/949713522.db2.gz XALBFUQKQJOKAA-WDEREUQCSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cnnn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881267 949713504 /nfs/dbraw/zinc/71/35/04/949713504.db2.gz XALBFUQKQJOKAA-WDEREUQCSA-N -1 1 384.408 -0.793 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881296 949719119 /nfs/dbraw/zinc/71/91/19/949719119.db2.gz XFWLVAVDHKHEHY-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881297 949718025 /nfs/dbraw/zinc/71/80/25/949718025.db2.gz XFWLVAVDHKHEHY-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881298 949718472 /nfs/dbraw/zinc/71/84/72/949718472.db2.gz XFWLVAVDHKHEHY-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881299 949718922 /nfs/dbraw/zinc/71/89/22/949718922.db2.gz XFWLVAVDHKHEHY-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881312 949717951 /nfs/dbraw/zinc/71/79/51/949717951.db2.gz XKBNRBNISFGGLR-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881312 949717938 /nfs/dbraw/zinc/71/79/38/949717938.db2.gz XKBNRBNISFGGLR-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881313 949718876 /nfs/dbraw/zinc/71/88/76/949718876.db2.gz XKBNRBNISFGGLR-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881313 949718855 /nfs/dbraw/zinc/71/88/55/949718855.db2.gz XKBNRBNISFGGLR-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881314 949719888 /nfs/dbraw/zinc/71/98/88/949719888.db2.gz XKBNRBNISFGGLR-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881314 949719876 /nfs/dbraw/zinc/71/98/76/949719876.db2.gz XKBNRBNISFGGLR-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881315 949720257 /nfs/dbraw/zinc/72/02/57/949720257.db2.gz XKBNRBNISFGGLR-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881315 949720243 /nfs/dbraw/zinc/72/02/43/949720243.db2.gz XKBNRBNISFGGLR-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881324 949718195 /nfs/dbraw/zinc/71/81/95/949718195.db2.gz XOIFJILNFWKGDQ-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881324 949718181 /nfs/dbraw/zinc/71/81/81/949718181.db2.gz XOIFJILNFWKGDQ-NEPJUHHUSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881325 949719358 /nfs/dbraw/zinc/71/93/58/949719358.db2.gz XOIFJILNFWKGDQ-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881325 949719344 /nfs/dbraw/zinc/71/93/44/949719344.db2.gz XOIFJILNFWKGDQ-NWDGAFQWSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881326 949718695 /nfs/dbraw/zinc/71/86/95/949718695.db2.gz XOIFJILNFWKGDQ-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881326 949718673 /nfs/dbraw/zinc/71/86/73/949718673.db2.gz XOIFJILNFWKGDQ-RYUDHWBXSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881327 949720321 /nfs/dbraw/zinc/72/03/21/949720321.db2.gz XOIFJILNFWKGDQ-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881327 949720305 /nfs/dbraw/zinc/72/03/05/949720305.db2.gz XOIFJILNFWKGDQ-VXGBXAGGSA-N -1 1 383.420 -0.188 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881340 949720796 /nfs/dbraw/zinc/72/07/96/949720796.db2.gz XQSCULCOMZRTLU-CHWSQXEVSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881340 949720771 /nfs/dbraw/zinc/72/07/71/949720771.db2.gz XQSCULCOMZRTLU-CHWSQXEVSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881341 949720854 /nfs/dbraw/zinc/72/08/54/949720854.db2.gz XQSCULCOMZRTLU-OLZOCXBDSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881341 949720831 /nfs/dbraw/zinc/72/08/31/949720831.db2.gz XQSCULCOMZRTLU-OLZOCXBDSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881342 949721247 /nfs/dbraw/zinc/72/12/47/949721247.db2.gz XQSCULCOMZRTLU-QWHCGFSZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881342 949721234 /nfs/dbraw/zinc/72/12/34/949721234.db2.gz XQSCULCOMZRTLU-QWHCGFSZSA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881343 949721123 /nfs/dbraw/zinc/72/11/23/949721123.db2.gz XQSCULCOMZRTLU-STQMWFEESA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881343 949721107 /nfs/dbraw/zinc/72/11/07/949721107.db2.gz XQSCULCOMZRTLU-STQMWFEESA-N -1 1 387.448 -0.538 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881344 949718246 /nfs/dbraw/zinc/71/82/46/949718246.db2.gz XRAMLASGYHXHEH-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881344 949718231 /nfs/dbraw/zinc/71/82/31/949718231.db2.gz XRAMLASGYHXHEH-CMPLNLGQSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881445 949718995 /nfs/dbraw/zinc/71/89/95/949718995.db2.gz XRAMLASGYHXHEH-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881445 949718979 /nfs/dbraw/zinc/71/89/79/949718979.db2.gz XRAMLASGYHXHEH-JQWIXIFHSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881446 949717176 /nfs/dbraw/zinc/71/71/76/949717176.db2.gz XRAMLASGYHXHEH-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881446 949717149 /nfs/dbraw/zinc/71/71/49/949717149.db2.gz XRAMLASGYHXHEH-PWSUYJOCSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881447 949717776 /nfs/dbraw/zinc/71/77/76/949717776.db2.gz XRAMLASGYHXHEH-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881447 949717762 /nfs/dbraw/zinc/71/77/62/949717762.db2.gz XRAMLASGYHXHEH-ZYHUDNBSSA-N -1 1 385.432 -0.344 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881547 949723916 /nfs/dbraw/zinc/72/39/16/949723916.db2.gz ZAZWLFFYMRGZDK-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881547 949723900 /nfs/dbraw/zinc/72/39/00/949723900.db2.gz ZAZWLFFYMRGZDK-NEPJUHHUSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881548 949724317 /nfs/dbraw/zinc/72/43/17/949724317.db2.gz ZAZWLFFYMRGZDK-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881548 949724302 /nfs/dbraw/zinc/72/43/02/949724302.db2.gz ZAZWLFFYMRGZDK-NWDGAFQWSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881549 949725692 /nfs/dbraw/zinc/72/56/92/949725692.db2.gz ZAZWLFFYMRGZDK-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881549 949725666 /nfs/dbraw/zinc/72/56/66/949725666.db2.gz ZAZWLFFYMRGZDK-RYUDHWBXSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881551 949723094 /nfs/dbraw/zinc/72/30/94/949723094.db2.gz ZAZWLFFYMRGZDK-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881551 949723081 /nfs/dbraw/zinc/72/30/81/949723081.db2.gz ZAZWLFFYMRGZDK-VXGBXAGGSA-N -1 1 385.432 -0.247 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575883342 949816341 /nfs/dbraw/zinc/81/63/41/949816341.db2.gz DTAOMNMPWNLHAL-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575883342 949816322 /nfs/dbraw/zinc/81/63/22/949816322.db2.gz DTAOMNMPWNLHAL-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575883343 949815986 /nfs/dbraw/zinc/81/59/86/949815986.db2.gz DTAOMNMPWNLHAL-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575883343 949815964 /nfs/dbraw/zinc/81/59/64/949815964.db2.gz DTAOMNMPWNLHAL-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575883344 949814113 /nfs/dbraw/zinc/81/41/13/949814113.db2.gz DTAOMNMPWNLHAL-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575883344 949814088 /nfs/dbraw/zinc/81/40/88/949814088.db2.gz DTAOMNMPWNLHAL-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575883346 949815004 /nfs/dbraw/zinc/81/50/04/949815004.db2.gz DTAOMNMPWNLHAL-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575883346 949814986 /nfs/dbraw/zinc/81/49/86/949814986.db2.gz DTAOMNMPWNLHAL-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883732 949826827 /nfs/dbraw/zinc/82/68/27/949826827.db2.gz GMMVZKYJWWWEAX-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883732 949826808 /nfs/dbraw/zinc/82/68/08/949826808.db2.gz GMMVZKYJWWWEAX-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883733 949825236 /nfs/dbraw/zinc/82/52/36/949825236.db2.gz GMMVZKYJWWWEAX-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883733 949825222 /nfs/dbraw/zinc/82/52/22/949825222.db2.gz GMMVZKYJWWWEAX-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883734 949822762 /nfs/dbraw/zinc/82/27/62/949822762.db2.gz GMMVZKYJWWWEAX-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883734 949822751 /nfs/dbraw/zinc/82/27/51/949822751.db2.gz GMMVZKYJWWWEAX-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883735 949824145 /nfs/dbraw/zinc/82/41/45/949824145.db2.gz GMMVZKYJWWWEAX-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883735 949824130 /nfs/dbraw/zinc/82/41/30/949824130.db2.gz GMMVZKYJWWWEAX-ZJUUUORDSA-N -1 1 384.404 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C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575885699 949872366 /nfs/dbraw/zinc/87/23/66/949872366.db2.gz KXYWVPAKCDUMGG-UWVGGRQHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575885701 949871866 /nfs/dbraw/zinc/87/18/66/949871866.db2.gz KXYWVPAKCDUMGG-VHSXEESVSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575885704 949868826 /nfs/dbraw/zinc/86/88/26/949868826.db2.gz KXYWVPAKCDUMGG-ZJUUUORDSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575887017 949893989 /nfs/dbraw/zinc/89/39/89/949893989.db2.gz NUDQZPUNOOFVFM-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575887073 949894781 /nfs/dbraw/zinc/89/47/81/949894781.db2.gz NUDQZPUNOOFVFM-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM 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C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575887774 949911415 /nfs/dbraw/zinc/91/14/15/949911415.db2.gz OUUXGPKZCLQZOA-UWVGGRQHSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575887777 949911372 /nfs/dbraw/zinc/91/13/72/949911372.db2.gz OUUXGPKZCLQZOA-VHSXEESVSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575887777 949911348 /nfs/dbraw/zinc/91/13/48/949911348.db2.gz OUUXGPKZCLQZOA-VHSXEESVSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575887780 949910504 /nfs/dbraw/zinc/91/05/04/949910504.db2.gz OUUXGPKZCLQZOA-ZJUUUORDSA-N -1 1 382.388 -0.473 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575887780 949910487 /nfs/dbraw/zinc/91/04/87/949910487.db2.gz OUUXGPKZCLQZOA-ZJUUUORDSA-N -1 1 382.388 -0.473 20 0 GBADMM 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C[C@@H]1[C@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575890754 949964733 /nfs/dbraw/zinc/96/47/33/949964733.db2.gz ZLWUUEYDZDQWHZ-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575890755 949965681 /nfs/dbraw/zinc/96/56/81/949965681.db2.gz ZLWUUEYDZDQWHZ-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575890755 949965664 /nfs/dbraw/zinc/96/56/64/949965664.db2.gz ZLWUUEYDZDQWHZ-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001575890835 949967074 /nfs/dbraw/zinc/96/70/74/949967074.db2.gz AERCNRLYKLHXPA-NXEZZACHSA-N -1 1 386.420 -0.601 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001575890836 949970655 /nfs/dbraw/zinc/97/06/55/949970655.db2.gz AERCNRLYKLHXPA-UWVGGRQHSA-N -1 1 386.420 -0.601 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001575890837 949969310 /nfs/dbraw/zinc/96/93/10/949969310.db2.gz AERCNRLYKLHXPA-VHSXEESVSA-N -1 1 386.420 -0.601 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001575890838 949967822 /nfs/dbraw/zinc/96/78/22/949967822.db2.gz AERCNRLYKLHXPA-ZJUUUORDSA-N -1 1 386.420 -0.601 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891495 950014699 /nfs/dbraw/zinc/01/46/99/950014699.db2.gz KMHXBWNMRNJRQN-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891495 950014675 /nfs/dbraw/zinc/01/46/75/950014675.db2.gz KMHXBWNMRNJRQN-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891496 950013278 /nfs/dbraw/zinc/01/32/78/950013278.db2.gz KMHXBWNMRNJRQN-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891496 950013257 /nfs/dbraw/zinc/01/32/57/950013257.db2.gz KMHXBWNMRNJRQN-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891497 950012534 /nfs/dbraw/zinc/01/25/34/950012534.db2.gz KMHXBWNMRNJRQN-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891497 950012513 /nfs/dbraw/zinc/01/25/13/950012513.db2.gz KMHXBWNMRNJRQN-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891498 950013831 /nfs/dbraw/zinc/01/38/31/950013831.db2.gz KMHXBWNMRNJRQN-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891498 950013802 /nfs/dbraw/zinc/01/38/02/950013802.db2.gz KMHXBWNMRNJRQN-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575891574 950016625 /nfs/dbraw/zinc/01/66/25/950016625.db2.gz LKMVDOMHVNBOSS-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575891574 950016601 /nfs/dbraw/zinc/01/66/01/950016601.db2.gz LKMVDOMHVNBOSS-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575891575 950018990 /nfs/dbraw/zinc/01/89/90/950018990.db2.gz LKMVDOMHVNBOSS-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575891575 950018966 /nfs/dbraw/zinc/01/89/66/950018966.db2.gz LKMVDOMHVNBOSS-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575891576 950020187 /nfs/dbraw/zinc/02/01/87/950020187.db2.gz LKMVDOMHVNBOSS-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575891576 950020166 /nfs/dbraw/zinc/02/01/66/950020166.db2.gz LKMVDOMHVNBOSS-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575891577 950018083 /nfs/dbraw/zinc/01/80/83/950018083.db2.gz LKMVDOMHVNBOSS-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575891577 950018063 /nfs/dbraw/zinc/01/80/63/950018063.db2.gz LKMVDOMHVNBOSS-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575892193 950060933 /nfs/dbraw/zinc/06/09/33/950060933.db2.gz TWJOZOAOOVQNBP-NXEZZACHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575892194 950060259 /nfs/dbraw/zinc/06/02/59/950060259.db2.gz TWJOZOAOOVQNBP-UWVGGRQHSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575892195 950061372 /nfs/dbraw/zinc/06/13/72/950061372.db2.gz TWJOZOAOOVQNBP-VHSXEESVSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575892196 950057288 /nfs/dbraw/zinc/05/72/88/950057288.db2.gz TWJOZOAOOVQNBP-ZJUUUORDSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575893623 950092844 /nfs/dbraw/zinc/09/28/44/950092844.db2.gz AYNRFPRAPWNTHZ-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575893624 950090700 /nfs/dbraw/zinc/09/07/00/950090700.db2.gz AYNRFPRAPWNTHZ-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575893626 950091466 /nfs/dbraw/zinc/09/14/66/950091466.db2.gz AYNRFPRAPWNTHZ-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575893627 950089386 /nfs/dbraw/zinc/08/93/86/950089386.db2.gz AYNRFPRAPWNTHZ-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575893880 950088562 /nfs/dbraw/zinc/08/85/62/950088562.db2.gz BUZOJVCHXAQWHO-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575893881 950090562 /nfs/dbraw/zinc/09/05/62/950090562.db2.gz BUZOJVCHXAQWHO-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575893882 950090227 /nfs/dbraw/zinc/09/02/27/950090227.db2.gz BUZOJVCHXAQWHO-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575893884 950090421 /nfs/dbraw/zinc/09/04/21/950090421.db2.gz BUZOJVCHXAQWHO-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575894559 950100798 /nfs/dbraw/zinc/10/07/98/950100798.db2.gz FJBMCGZEWXMJMZ-GXSJLCMTSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575894559 950100788 /nfs/dbraw/zinc/10/07/88/950100788.db2.gz FJBMCGZEWXMJMZ-GXSJLCMTSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575894562 950101894 /nfs/dbraw/zinc/10/18/94/950101894.db2.gz FJBMCGZEWXMJMZ-KOLCDFICSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575894562 950101884 /nfs/dbraw/zinc/10/18/84/950101884.db2.gz FJBMCGZEWXMJMZ-KOLCDFICSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575894564 950102842 /nfs/dbraw/zinc/10/28/42/950102842.db2.gz FJBMCGZEWXMJMZ-MWLCHTKSSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575894564 950102836 /nfs/dbraw/zinc/10/28/36/950102836.db2.gz FJBMCGZEWXMJMZ-MWLCHTKSSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575894567 950102612 /nfs/dbraw/zinc/10/26/12/950102612.db2.gz FJBMCGZEWXMJMZ-ONGXEEELSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575894567 950102599 /nfs/dbraw/zinc/10/25/99/950102599.db2.gz FJBMCGZEWXMJMZ-ONGXEEELSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575895135 950110294 /nfs/dbraw/zinc/11/02/94/950110294.db2.gz HOMXGBUARVLHDC-GXSJLCMTSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575895135 950110286 /nfs/dbraw/zinc/11/02/86/950110286.db2.gz HOMXGBUARVLHDC-GXSJLCMTSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575895137 950109689 /nfs/dbraw/zinc/10/96/89/950109689.db2.gz HOMXGBUARVLHDC-KOLCDFICSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575895137 950109679 /nfs/dbraw/zinc/10/96/79/950109679.db2.gz HOMXGBUARVLHDC-KOLCDFICSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575895140 950110175 /nfs/dbraw/zinc/11/01/75/950110175.db2.gz HOMXGBUARVLHDC-MWLCHTKSSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575895140 950110167 /nfs/dbraw/zinc/11/01/67/950110167.db2.gz HOMXGBUARVLHDC-MWLCHTKSSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575895142 950109808 /nfs/dbraw/zinc/10/98/08/950109808.db2.gz HOMXGBUARVLHDC-ONGXEEELSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575895142 950109799 /nfs/dbraw/zinc/10/97/99/950109799.db2.gz HOMXGBUARVLHDC-ONGXEEELSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575895214 950114649 /nfs/dbraw/zinc/11/46/49/950114649.db2.gz HYDBRZXKNJRRIS-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575895216 950115116 /nfs/dbraw/zinc/11/51/16/950115116.db2.gz HYDBRZXKNJRRIS-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575895219 950113654 /nfs/dbraw/zinc/11/36/54/950113654.db2.gz HYDBRZXKNJRRIS-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575895221 950115381 /nfs/dbraw/zinc/11/53/81/950115381.db2.gz HYDBRZXKNJRRIS-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575898507 950157876 /nfs/dbraw/zinc/15/78/76/950157876.db2.gz SRNSRINQZNHYBY-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575898509 950155294 /nfs/dbraw/zinc/15/52/94/950155294.db2.gz SRNSRINQZNHYBY-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575898512 950156141 /nfs/dbraw/zinc/15/61/41/950156141.db2.gz SRNSRINQZNHYBY-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575898514 950157089 /nfs/dbraw/zinc/15/70/89/950157089.db2.gz SRNSRINQZNHYBY-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575899021 950160949 /nfs/dbraw/zinc/16/09/49/950160949.db2.gz VKVBFLRZZGNHJJ-GXSJLCMTSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575899022 950161179 /nfs/dbraw/zinc/16/11/79/950161179.db2.gz VKVBFLRZZGNHJJ-KOLCDFICSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575899026 950160787 /nfs/dbraw/zinc/16/07/87/950160787.db2.gz VKVBFLRZZGNHJJ-MWLCHTKSSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575899028 950159717 /nfs/dbraw/zinc/15/97/17/950159717.db2.gz VKVBFLRZZGNHJJ-ONGXEEELSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575899079 950163889 /nfs/dbraw/zinc/16/38/89/950163889.db2.gz VOXJDMFNCQSIPR-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575899079 950163878 /nfs/dbraw/zinc/16/38/78/950163878.db2.gz VOXJDMFNCQSIPR-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575899082 950165533 /nfs/dbraw/zinc/16/55/33/950165533.db2.gz VOXJDMFNCQSIPR-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575899082 950165519 /nfs/dbraw/zinc/16/55/19/950165519.db2.gz VOXJDMFNCQSIPR-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575899083 950163789 /nfs/dbraw/zinc/16/37/89/950163789.db2.gz VOXJDMFNCQSIPR-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575899083 950163776 /nfs/dbraw/zinc/16/37/76/950163776.db2.gz VOXJDMFNCQSIPR-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575899084 950164609 /nfs/dbraw/zinc/16/46/09/950164609.db2.gz VOXJDMFNCQSIPR-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575899084 950164596 /nfs/dbraw/zinc/16/45/96/950164596.db2.gz VOXJDMFNCQSIPR-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575899463 950170226 /nfs/dbraw/zinc/17/02/26/950170226.db2.gz WKCTXNHQLXGTFZ-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575899463 950170206 /nfs/dbraw/zinc/17/02/06/950170206.db2.gz WKCTXNHQLXGTFZ-GXSJLCMTSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575899464 950168914 /nfs/dbraw/zinc/16/89/14/950168914.db2.gz WKCTXNHQLXGTFZ-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575899464 950168902 /nfs/dbraw/zinc/16/89/02/950168902.db2.gz WKCTXNHQLXGTFZ-KOLCDFICSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575899465 950170967 /nfs/dbraw/zinc/17/09/67/950170967.db2.gz WKCTXNHQLXGTFZ-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575899465 950170951 /nfs/dbraw/zinc/17/09/51/950170951.db2.gz WKCTXNHQLXGTFZ-MWLCHTKSSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575899466 950170329 /nfs/dbraw/zinc/17/03/29/950170329.db2.gz WKCTXNHQLXGTFZ-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575899466 950170317 /nfs/dbraw/zinc/17/03/17/950170317.db2.gz WKCTXNHQLXGTFZ-ONGXEEELSA-N -1 1 382.388 -0.060 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575899523 950175202 /nfs/dbraw/zinc/17/52/02/950175202.db2.gz XKYNFPJUSRLSHP-NXEZZACHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575899524 950175465 /nfs/dbraw/zinc/17/54/65/950175465.db2.gz XKYNFPJUSRLSHP-UWVGGRQHSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575899525 950174615 /nfs/dbraw/zinc/17/46/15/950174615.db2.gz XKYNFPJUSRLSHP-VHSXEESVSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575899526 950175522 /nfs/dbraw/zinc/17/55/22/950175522.db2.gz XKYNFPJUSRLSHP-ZJUUUORDSA-N -1 1 384.404 -0.117 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899812 950183079 /nfs/dbraw/zinc/18/30/79/950183079.db2.gz ZTRCZRNSYLEVSM-GXSJLCMTSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899812 950183063 /nfs/dbraw/zinc/18/30/63/950183063.db2.gz ZTRCZRNSYLEVSM-GXSJLCMTSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899813 950184845 /nfs/dbraw/zinc/18/48/45/950184845.db2.gz ZTRCZRNSYLEVSM-KOLCDFICSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899813 950184828 /nfs/dbraw/zinc/18/48/28/950184828.db2.gz ZTRCZRNSYLEVSM-KOLCDFICSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899814 950182771 /nfs/dbraw/zinc/18/27/71/950182771.db2.gz ZTRCZRNSYLEVSM-MWLCHTKSSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899814 950182762 /nfs/dbraw/zinc/18/27/62/950182762.db2.gz ZTRCZRNSYLEVSM-MWLCHTKSSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899815 950183341 /nfs/dbraw/zinc/18/33/41/950183341.db2.gz ZTRCZRNSYLEVSM-ONGXEEELSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899815 950183328 /nfs/dbraw/zinc/18/33/28/950183328.db2.gz ZTRCZRNSYLEVSM-ONGXEEELSA-N -1 1 383.420 -0.240 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575901854 950242357 /nfs/dbraw/zinc/24/23/57/950242357.db2.gz QVJBLMDPCRRGIO-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575901854 950242338 /nfs/dbraw/zinc/24/23/38/950242338.db2.gz QVJBLMDPCRRGIO-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575901855 950240003 /nfs/dbraw/zinc/24/00/03/950240003.db2.gz QVJBLMDPCRRGIO-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575901855 950239987 /nfs/dbraw/zinc/23/99/87/950239987.db2.gz QVJBLMDPCRRGIO-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575901856 950243648 /nfs/dbraw/zinc/24/36/48/950243648.db2.gz QVJBLMDPCRRGIO-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575901856 950243629 /nfs/dbraw/zinc/24/36/29/950243629.db2.gz QVJBLMDPCRRGIO-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575901857 950240411 /nfs/dbraw/zinc/24/04/11/950240411.db2.gz QVJBLMDPCRRGIO-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575901857 950240390 /nfs/dbraw/zinc/24/03/90/950240390.db2.gz QVJBLMDPCRRGIO-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575902301 950256183 /nfs/dbraw/zinc/25/61/83/950256183.db2.gz UODHYZQHESOHBS-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575902302 950253467 /nfs/dbraw/zinc/25/34/67/950253467.db2.gz UODHYZQHESOHBS-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575902303 950256025 /nfs/dbraw/zinc/25/60/25/950256025.db2.gz UODHYZQHESOHBS-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575902304 950253694 /nfs/dbraw/zinc/25/36/94/950253694.db2.gz UODHYZQHESOHBS-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575902505 950261911 /nfs/dbraw/zinc/26/19/11/950261911.db2.gz VVKKDNDMBQOSDA-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575902505 950261893 /nfs/dbraw/zinc/26/18/93/950261893.db2.gz VVKKDNDMBQOSDA-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575902506 950263129 /nfs/dbraw/zinc/26/31/29/950263129.db2.gz VVKKDNDMBQOSDA-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575902506 950263110 /nfs/dbraw/zinc/26/31/10/950263110.db2.gz VVKKDNDMBQOSDA-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575902507 950261680 /nfs/dbraw/zinc/26/16/80/950261680.db2.gz VVKKDNDMBQOSDA-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575902507 950261664 /nfs/dbraw/zinc/26/16/64/950261664.db2.gz VVKKDNDMBQOSDA-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575902508 950262060 /nfs/dbraw/zinc/26/20/60/950262060.db2.gz VVKKDNDMBQOSDA-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575902508 950262037 /nfs/dbraw/zinc/26/20/37/950262037.db2.gz VVKKDNDMBQOSDA-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575902924 950271756 /nfs/dbraw/zinc/27/17/56/950271756.db2.gz YKMGPSJMWWHIJF-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575902924 950271744 /nfs/dbraw/zinc/27/17/44/950271744.db2.gz YKMGPSJMWWHIJF-NXEZZACHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575902925 950273910 /nfs/dbraw/zinc/27/39/10/950273910.db2.gz YKMGPSJMWWHIJF-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575902925 950273896 /nfs/dbraw/zinc/27/38/96/950273896.db2.gz YKMGPSJMWWHIJF-UWVGGRQHSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575902926 950271848 /nfs/dbraw/zinc/27/18/48/950271848.db2.gz YKMGPSJMWWHIJF-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575902926 950271832 /nfs/dbraw/zinc/27/18/32/950271832.db2.gz YKMGPSJMWWHIJF-VHSXEESVSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575902927 950271682 /nfs/dbraw/zinc/27/16/82/950271682.db2.gz YKMGPSJMWWHIJF-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575902927 950271672 /nfs/dbraw/zinc/27/16/72/950271672.db2.gz YKMGPSJMWWHIJF-ZJUUUORDSA-N -1 1 381.404 -0.184 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575912058 950457053 /nfs/dbraw/zinc/45/70/53/950457053.db2.gz GLQAWKMRXVCTTD-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575912058 950457041 /nfs/dbraw/zinc/45/70/41/950457041.db2.gz GLQAWKMRXVCTTD-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575912060 950454496 /nfs/dbraw/zinc/45/44/96/950454496.db2.gz GLQAWKMRXVCTTD-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575912060 950454482 /nfs/dbraw/zinc/45/44/82/950454482.db2.gz GLQAWKMRXVCTTD-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575912063 950454534 /nfs/dbraw/zinc/45/45/34/950454534.db2.gz GLQAWKMRXVCTTD-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575912063 950454522 /nfs/dbraw/zinc/45/45/22/950454522.db2.gz GLQAWKMRXVCTTD-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575912066 950456911 /nfs/dbraw/zinc/45/69/11/950456911.db2.gz GLQAWKMRXVCTTD-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575912066 950456902 /nfs/dbraw/zinc/45/69/02/950456902.db2.gz GLQAWKMRXVCTTD-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575913090 950479529 /nfs/dbraw/zinc/47/95/29/950479529.db2.gz IKFMOQDADSHDAQ-GXSJLCMTSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575913090 950479519 /nfs/dbraw/zinc/47/95/19/950479519.db2.gz IKFMOQDADSHDAQ-GXSJLCMTSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575913093 950479604 /nfs/dbraw/zinc/47/96/04/950479604.db2.gz IKFMOQDADSHDAQ-KOLCDFICSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575913093 950479595 /nfs/dbraw/zinc/47/95/95/950479595.db2.gz IKFMOQDADSHDAQ-KOLCDFICSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575913094 950478925 /nfs/dbraw/zinc/47/89/25/950478925.db2.gz IKFMOQDADSHDAQ-MWLCHTKSSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575913094 950478913 /nfs/dbraw/zinc/47/89/13/950478913.db2.gz IKFMOQDADSHDAQ-MWLCHTKSSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575913095 950479147 /nfs/dbraw/zinc/47/91/47/950479147.db2.gz IKFMOQDADSHDAQ-ONGXEEELSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575913095 950479143 /nfs/dbraw/zinc/47/91/43/950479143.db2.gz IKFMOQDADSHDAQ-ONGXEEELSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575914467 950494520 /nfs/dbraw/zinc/49/45/20/950494520.db2.gz LEEBJEDQBVDANV-NXEZZACHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575914467 950494506 /nfs/dbraw/zinc/49/45/06/950494506.db2.gz LEEBJEDQBVDANV-NXEZZACHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575914469 950495365 /nfs/dbraw/zinc/49/53/65/950495365.db2.gz LEEBJEDQBVDANV-UWVGGRQHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575914469 950495357 /nfs/dbraw/zinc/49/53/57/950495357.db2.gz LEEBJEDQBVDANV-UWVGGRQHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575914471 950497615 /nfs/dbraw/zinc/49/76/15/950497615.db2.gz LEEBJEDQBVDANV-VHSXEESVSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575914471 950497602 /nfs/dbraw/zinc/49/76/02/950497602.db2.gz LEEBJEDQBVDANV-VHSXEESVSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575914473 950497569 /nfs/dbraw/zinc/49/75/69/950497569.db2.gz LEEBJEDQBVDANV-ZJUUUORDSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575914473 950497552 /nfs/dbraw/zinc/49/75/52/950497552.db2.gz LEEBJEDQBVDANV-ZJUUUORDSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575915240 950503923 /nfs/dbraw/zinc/50/39/23/950503923.db2.gz MJHRIVVOSVBCRI-CMPLNLGQSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575915240 950503908 /nfs/dbraw/zinc/50/39/08/950503908.db2.gz MJHRIVVOSVBCRI-CMPLNLGQSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575915243 950503731 /nfs/dbraw/zinc/50/37/31/950503731.db2.gz MJHRIVVOSVBCRI-JQWIXIFHSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575915243 950503713 /nfs/dbraw/zinc/50/37/13/950503713.db2.gz MJHRIVVOSVBCRI-JQWIXIFHSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575915246 950505012 /nfs/dbraw/zinc/50/50/12/950505012.db2.gz MJHRIVVOSVBCRI-PWSUYJOCSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575915246 950504995 /nfs/dbraw/zinc/50/49/95/950504995.db2.gz MJHRIVVOSVBCRI-PWSUYJOCSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575915250 950510620 /nfs/dbraw/zinc/51/06/20/950510620.db2.gz MJHRIVVOSVBCRI-ZYHUDNBSSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575915250 950510600 /nfs/dbraw/zinc/51/06/00/950510600.db2.gz MJHRIVVOSVBCRI-ZYHUDNBSSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575915275 950510110 /nfs/dbraw/zinc/51/01/10/950510110.db2.gz MMOYWLMDIWSYPE-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575915275 950510087 /nfs/dbraw/zinc/51/00/87/950510087.db2.gz MMOYWLMDIWSYPE-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575915277 950512301 /nfs/dbraw/zinc/51/23/01/950512301.db2.gz MMOYWLMDIWSYPE-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575915277 950512282 /nfs/dbraw/zinc/51/22/82/950512282.db2.gz MMOYWLMDIWSYPE-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575915280 950509691 /nfs/dbraw/zinc/50/96/91/950509691.db2.gz MMOYWLMDIWSYPE-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575915280 950509678 /nfs/dbraw/zinc/50/96/78/950509678.db2.gz MMOYWLMDIWSYPE-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575915282 950508159 /nfs/dbraw/zinc/50/81/59/950508159.db2.gz MMOYWLMDIWSYPE-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575915282 950508139 /nfs/dbraw/zinc/50/81/39/950508139.db2.gz MMOYWLMDIWSYPE-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575916625 950544362 /nfs/dbraw/zinc/54/43/62/950544362.db2.gz RCGRBNDFYORGLS-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575916625 950544344 /nfs/dbraw/zinc/54/43/44/950544344.db2.gz RCGRBNDFYORGLS-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575916626 950544993 /nfs/dbraw/zinc/54/49/93/950544993.db2.gz RCGRBNDFYORGLS-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575916626 950544978 /nfs/dbraw/zinc/54/49/78/950544978.db2.gz RCGRBNDFYORGLS-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575916627 950542939 /nfs/dbraw/zinc/54/29/39/950542939.db2.gz RCGRBNDFYORGLS-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575916627 950542921 /nfs/dbraw/zinc/54/29/21/950542921.db2.gz RCGRBNDFYORGLS-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575916628 950543585 /nfs/dbraw/zinc/54/35/85/950543585.db2.gz RCGRBNDFYORGLS-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575916628 950543565 /nfs/dbraw/zinc/54/35/65/950543565.db2.gz RCGRBNDFYORGLS-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575916997 950555748 /nfs/dbraw/zinc/55/57/48/950555748.db2.gz UEZBJECPXSAFMM-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575916997 950555735 /nfs/dbraw/zinc/55/57/35/950555735.db2.gz UEZBJECPXSAFMM-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575916998 950556104 /nfs/dbraw/zinc/55/61/04/950556104.db2.gz UEZBJECPXSAFMM-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575916998 950556084 /nfs/dbraw/zinc/55/60/84/950556084.db2.gz UEZBJECPXSAFMM-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575917000 950555487 /nfs/dbraw/zinc/55/54/87/950555487.db2.gz UEZBJECPXSAFMM-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575917000 950555472 /nfs/dbraw/zinc/55/54/72/950555472.db2.gz UEZBJECPXSAFMM-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575917001 950555436 /nfs/dbraw/zinc/55/54/36/950555436.db2.gz UEZBJECPXSAFMM-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575917001 950555420 /nfs/dbraw/zinc/55/54/20/950555420.db2.gz UEZBJECPXSAFMM-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CN1CCCNC1=O ZINC001575917397 950569040 /nfs/dbraw/zinc/56/90/40/950569040.db2.gz XHVLYHURGRBOBQ-GHMZBOCLSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CN1CCCNC1=O ZINC001575917397 950569015 /nfs/dbraw/zinc/56/90/15/950569015.db2.gz XHVLYHURGRBOBQ-GHMZBOCLSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CN1CCCNC1=O ZINC001575917398 950569195 /nfs/dbraw/zinc/56/91/95/950569195.db2.gz XHVLYHURGRBOBQ-MNOVXSKESA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CN1CCCNC1=O ZINC001575917398 950569187 /nfs/dbraw/zinc/56/91/87/950569187.db2.gz XHVLYHURGRBOBQ-MNOVXSKESA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CN1CCCNC1=O ZINC001575917399 950569723 /nfs/dbraw/zinc/56/97/23/950569723.db2.gz XHVLYHURGRBOBQ-QWRGUYRKSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CN1CCCNC1=O ZINC001575917399 950569705 /nfs/dbraw/zinc/56/97/05/950569705.db2.gz XHVLYHURGRBOBQ-QWRGUYRKSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CN1CCCNC1=O ZINC001575917400 950569246 /nfs/dbraw/zinc/56/92/46/950569246.db2.gz XHVLYHURGRBOBQ-WDEREUQCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CN1CCCNC1=O ZINC001575917400 950569228 /nfs/dbraw/zinc/56/92/28/950569228.db2.gz XHVLYHURGRBOBQ-WDEREUQCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575919122 950608829 /nfs/dbraw/zinc/60/88/29/950608829.db2.gz GJSDKYSBKFOKDI-CMPLNLGQSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575919124 950609923 /nfs/dbraw/zinc/60/99/23/950609923.db2.gz GJSDKYSBKFOKDI-JQWIXIFHSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575919126 950610229 /nfs/dbraw/zinc/61/02/29/950610229.db2.gz GJSDKYSBKFOKDI-PWSUYJOCSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575919128 950610105 /nfs/dbraw/zinc/61/01/05/950610105.db2.gz GJSDKYSBKFOKDI-ZYHUDNBSSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575919144 950607939 /nfs/dbraw/zinc/60/79/39/950607939.db2.gz GMKCZWKSUUNMOF-CMPLNLGQSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575919146 950608260 /nfs/dbraw/zinc/60/82/60/950608260.db2.gz GMKCZWKSUUNMOF-JQWIXIFHSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575919147 950608772 /nfs/dbraw/zinc/60/87/72/950608772.db2.gz GMKCZWKSUUNMOF-PWSUYJOCSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575919149 950610189 /nfs/dbraw/zinc/61/01/89/950610189.db2.gz GMKCZWKSUUNMOF-ZYHUDNBSSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575919365 950608207 /nfs/dbraw/zinc/60/82/07/950608207.db2.gz HCKQTWSVFRMZQT-GHMZBOCLSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575919366 950607545 /nfs/dbraw/zinc/60/75/45/950607545.db2.gz HCKQTWSVFRMZQT-MNOVXSKESA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575919367 950607673 /nfs/dbraw/zinc/60/76/73/950607673.db2.gz HCKQTWSVFRMZQT-QWRGUYRKSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575919368 950610591 /nfs/dbraw/zinc/61/05/91/950610591.db2.gz HCKQTWSVFRMZQT-WDEREUQCSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnccn1 ZINC001575919592 950615293 /nfs/dbraw/zinc/61/52/93/950615293.db2.gz IBTVRWWEHRCJJL-AAEUAGOBSA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnccn1 ZINC001575919593 950616461 /nfs/dbraw/zinc/61/64/61/950616461.db2.gz IBTVRWWEHRCJJL-DGCLKSJQSA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnccn1 ZINC001575919594 950616500 /nfs/dbraw/zinc/61/65/00/950616500.db2.gz IBTVRWWEHRCJJL-WCQYABFASA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnccn1 ZINC001575919595 950616065 /nfs/dbraw/zinc/61/60/65/950616065.db2.gz IBTVRWWEHRCJJL-YPMHNXCESA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccncn1 ZINC001575919828 950621980 /nfs/dbraw/zinc/62/19/80/950621980.db2.gz KJMZLUUELVEHEE-AAEUAGOBSA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccncn1 ZINC001575919829 950624319 /nfs/dbraw/zinc/62/43/19/950624319.db2.gz KJMZLUUELVEHEE-DGCLKSJQSA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccncn1 ZINC001575919830 950624836 /nfs/dbraw/zinc/62/48/36/950624836.db2.gz KJMZLUUELVEHEE-WCQYABFASA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccncn1 ZINC001575919831 950624425 /nfs/dbraw/zinc/62/44/25/950624425.db2.gz KJMZLUUELVEHEE-YPMHNXCESA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCCC1=O ZINC001575920221 950626436 /nfs/dbraw/zinc/62/64/36/950626436.db2.gz LOIOYJJGHIPCPF-NEPJUHHUSA-N -1 1 385.432 -0.508 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCCC1=O ZINC001575920222 950629245 /nfs/dbraw/zinc/62/92/45/950629245.db2.gz LOIOYJJGHIPCPF-NWDGAFQWSA-N -1 1 385.432 -0.508 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCCC1=O ZINC001575920224 950629333 /nfs/dbraw/zinc/62/93/33/950629333.db2.gz LOIOYJJGHIPCPF-RYUDHWBXSA-N -1 1 385.432 -0.508 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCCC1=O ZINC001575920226 950626938 /nfs/dbraw/zinc/62/69/38/950626938.db2.gz LOIOYJJGHIPCPF-VXGBXAGGSA-N -1 1 385.432 -0.508 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575920489 950632261 /nfs/dbraw/zinc/63/22/61/950632261.db2.gz MGMLZHOSDULWAX-AAEUAGOBSA-N -1 1 382.432 -0.154 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575920490 950632179 /nfs/dbraw/zinc/63/21/79/950632179.db2.gz MGMLZHOSDULWAX-DGCLKSJQSA-N -1 1 382.432 -0.154 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575920491 950630844 /nfs/dbraw/zinc/63/08/44/950630844.db2.gz MGMLZHOSDULWAX-WCQYABFASA-N -1 1 382.432 -0.154 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575920493 950633652 /nfs/dbraw/zinc/63/36/52/950633652.db2.gz MGMLZHOSDULWAX-YPMHNXCESA-N -1 1 382.432 -0.154 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575920658 950637513 /nfs/dbraw/zinc/63/75/13/950637513.db2.gz MSPRQKRUTLSEIM-GHMZBOCLSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575920662 950637549 /nfs/dbraw/zinc/63/75/49/950637549.db2.gz MSPRQKRUTLSEIM-MNOVXSKESA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575920668 950634845 /nfs/dbraw/zinc/63/48/45/950634845.db2.gz MSPRQKRUTLSEIM-QWRGUYRKSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575920671 950637437 /nfs/dbraw/zinc/63/74/37/950637437.db2.gz MSPRQKRUTLSEIM-WDEREUQCSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575921765 950639676 /nfs/dbraw/zinc/63/96/76/950639676.db2.gz OLIZVGNIEORWGE-NEPJUHHUSA-N -1 1 383.420 -0.448 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575921768 950640009 /nfs/dbraw/zinc/64/00/09/950640009.db2.gz OLIZVGNIEORWGE-NWDGAFQWSA-N -1 1 383.420 -0.448 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575921773 950643000 /nfs/dbraw/zinc/64/30/00/950643000.db2.gz OLIZVGNIEORWGE-RYUDHWBXSA-N -1 1 383.420 -0.448 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575921778 950642649 /nfs/dbraw/zinc/64/26/49/950642649.db2.gz OLIZVGNIEORWGE-VXGBXAGGSA-N -1 1 383.420 -0.448 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575922080 950647513 /nfs/dbraw/zinc/64/75/13/950647513.db2.gz OSKPHTTVURCNIF-CMPLNLGQSA-N -1 1 386.395 -0.040 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575922087 950647474 /nfs/dbraw/zinc/64/74/74/950647474.db2.gz OSKPHTTVURCNIF-JQWIXIFHSA-N -1 1 386.395 -0.040 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575922092 950645738 /nfs/dbraw/zinc/64/57/38/950645738.db2.gz OSKPHTTVURCNIF-PWSUYJOCSA-N -1 1 386.395 -0.040 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575922097 950646528 /nfs/dbraw/zinc/64/65/28/950646528.db2.gz OSKPHTTVURCNIF-ZYHUDNBSSA-N -1 1 386.395 -0.040 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCN1CCCC1=O ZINC001575922437 950645286 /nfs/dbraw/zinc/64/52/86/950645286.db2.gz PPAJENNPMDDNME-NEPJUHHUSA-N -1 1 385.432 -0.508 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCN1CCCC1=O ZINC001575922439 950646659 /nfs/dbraw/zinc/64/66/59/950646659.db2.gz PPAJENNPMDDNME-NWDGAFQWSA-N -1 1 385.432 -0.508 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCN1CCCC1=O ZINC001575922442 950647908 /nfs/dbraw/zinc/64/79/08/950647908.db2.gz PPAJENNPMDDNME-RYUDHWBXSA-N -1 1 385.432 -0.508 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCN1CCCC1=O ZINC001575922446 950644266 /nfs/dbraw/zinc/64/42/66/950644266.db2.gz PPAJENNPMDDNME-VXGBXAGGSA-N -1 1 385.432 -0.508 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575922789 950650223 /nfs/dbraw/zinc/65/02/23/950650223.db2.gz AOKRNZDIUSUYRX-CMPLNLGQSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575922789 950650210 /nfs/dbraw/zinc/65/02/10/950650210.db2.gz AOKRNZDIUSUYRX-CMPLNLGQSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575922792 950650266 /nfs/dbraw/zinc/65/02/66/950650266.db2.gz AOKRNZDIUSUYRX-JQWIXIFHSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575922792 950650252 /nfs/dbraw/zinc/65/02/52/950650252.db2.gz AOKRNZDIUSUYRX-JQWIXIFHSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575922795 950649291 /nfs/dbraw/zinc/64/92/91/950649291.db2.gz AOKRNZDIUSUYRX-PWSUYJOCSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575922795 950649274 /nfs/dbraw/zinc/64/92/74/950649274.db2.gz AOKRNZDIUSUYRX-PWSUYJOCSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575922798 950649774 /nfs/dbraw/zinc/64/97/74/950649774.db2.gz AOKRNZDIUSUYRX-ZYHUDNBSSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575922798 950649763 /nfs/dbraw/zinc/64/97/63/950649763.db2.gz AOKRNZDIUSUYRX-ZYHUDNBSSA-N -1 1 385.432 -0.074 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575922874 950650866 /nfs/dbraw/zinc/65/08/66/950650866.db2.gz AXIBFCDMHVOWDG-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575922874 950650853 /nfs/dbraw/zinc/65/08/53/950650853.db2.gz AXIBFCDMHVOWDG-NXEZZACHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575922876 950650729 /nfs/dbraw/zinc/65/07/29/950650729.db2.gz AXIBFCDMHVOWDG-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575922876 950650720 /nfs/dbraw/zinc/65/07/20/950650720.db2.gz AXIBFCDMHVOWDG-UWVGGRQHSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575922878 950651452 /nfs/dbraw/zinc/65/14/52/950651452.db2.gz AXIBFCDMHVOWDG-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575922878 950651440 /nfs/dbraw/zinc/65/14/40/950651440.db2.gz AXIBFCDMHVOWDG-VHSXEESVSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575922880 950651309 /nfs/dbraw/zinc/65/13/09/950651309.db2.gz AXIBFCDMHVOWDG-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575922880 950651298 /nfs/dbraw/zinc/65/12/98/950651298.db2.gz AXIBFCDMHVOWDG-ZJUUUORDSA-N -1 1 380.434 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575923235 950656092 /nfs/dbraw/zinc/65/60/92/950656092.db2.gz PVWKMWHCXQAJJV-CMPLNLGQSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575923236 950655446 /nfs/dbraw/zinc/65/54/46/950655446.db2.gz PVWKMWHCXQAJJV-JQWIXIFHSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575923237 950655035 /nfs/dbraw/zinc/65/50/35/950655035.db2.gz PVWKMWHCXQAJJV-PWSUYJOCSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575923239 950655747 /nfs/dbraw/zinc/65/57/47/950655747.db2.gz PVWKMWHCXQAJJV-ZYHUDNBSSA-N -1 1 381.400 -0.508 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575923585 950664336 /nfs/dbraw/zinc/66/43/36/950664336.db2.gz CJVCNBCJNWYRRU-GHMZBOCLSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575923585 950664326 /nfs/dbraw/zinc/66/43/26/950664326.db2.gz CJVCNBCJNWYRRU-GHMZBOCLSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575923589 950663889 /nfs/dbraw/zinc/66/38/89/950663889.db2.gz CJVCNBCJNWYRRU-MNOVXSKESA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575923589 950663876 /nfs/dbraw/zinc/66/38/76/950663876.db2.gz CJVCNBCJNWYRRU-MNOVXSKESA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575923592 950663574 /nfs/dbraw/zinc/66/35/74/950663574.db2.gz CJVCNBCJNWYRRU-QWRGUYRKSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575923592 950663565 /nfs/dbraw/zinc/66/35/65/950663565.db2.gz CJVCNBCJNWYRRU-QWRGUYRKSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575923594 950664716 /nfs/dbraw/zinc/66/47/16/950664716.db2.gz CJVCNBCJNWYRRU-WDEREUQCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575923594 950664710 /nfs/dbraw/zinc/66/47/10/950664710.db2.gz CJVCNBCJNWYRRU-WDEREUQCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575923937 950664576 /nfs/dbraw/zinc/66/45/76/950664576.db2.gz RDJKWIKWOVYCIG-AAEUAGOBSA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575923943 950664817 /nfs/dbraw/zinc/66/48/17/950664817.db2.gz RDJKWIKWOVYCIG-DGCLKSJQSA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575923946 950662261 /nfs/dbraw/zinc/66/22/61/950662261.db2.gz RDJKWIKWOVYCIG-WCQYABFASA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575923949 950663471 /nfs/dbraw/zinc/66/34/71/950663471.db2.gz RDJKWIKWOVYCIG-YPMHNXCESA-N -1 1 380.416 -0.097 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575923953 950664512 /nfs/dbraw/zinc/66/45/12/950664512.db2.gz REZFPNXTMWDKHF-CMPLNLGQSA-N -1 1 385.432 -0.652 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575923955 950664263 /nfs/dbraw/zinc/66/42/63/950664263.db2.gz REZFPNXTMWDKHF-JQWIXIFHSA-N -1 1 385.432 -0.652 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575923961 950664847 /nfs/dbraw/zinc/66/48/47/950664847.db2.gz REZFPNXTMWDKHF-PWSUYJOCSA-N -1 1 385.432 -0.652 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575923966 950663528 /nfs/dbraw/zinc/66/35/28/950663528.db2.gz REZFPNXTMWDKHF-ZYHUDNBSSA-N -1 1 385.432 -0.652 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575924101 950668918 /nfs/dbraw/zinc/66/89/18/950668918.db2.gz DRAMYWHEHZCJIB-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575924101 950668909 /nfs/dbraw/zinc/66/89/09/950668909.db2.gz DRAMYWHEHZCJIB-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575924106 950667370 /nfs/dbraw/zinc/66/73/70/950667370.db2.gz DRAMYWHEHZCJIB-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575924106 950667352 /nfs/dbraw/zinc/66/73/52/950667352.db2.gz DRAMYWHEHZCJIB-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575924112 950668255 /nfs/dbraw/zinc/66/82/55/950668255.db2.gz DRAMYWHEHZCJIB-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575924112 950668240 /nfs/dbraw/zinc/66/82/40/950668240.db2.gz DRAMYWHEHZCJIB-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575924118 950669045 /nfs/dbraw/zinc/66/90/45/950669045.db2.gz DRAMYWHEHZCJIB-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575924118 950669036 /nfs/dbraw/zinc/66/90/36/950669036.db2.gz DRAMYWHEHZCJIB-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575924492 950672659 /nfs/dbraw/zinc/67/26/59/950672659.db2.gz FLMDSACUPIGCER-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575924492 950672650 /nfs/dbraw/zinc/67/26/50/950672650.db2.gz FLMDSACUPIGCER-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575924496 950676452 /nfs/dbraw/zinc/67/64/52/950676452.db2.gz FLMDSACUPIGCER-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575924496 950676431 /nfs/dbraw/zinc/67/64/31/950676431.db2.gz FLMDSACUPIGCER-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575924500 950675732 /nfs/dbraw/zinc/67/57/32/950675732.db2.gz FLMDSACUPIGCER-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575924500 950675719 /nfs/dbraw/zinc/67/57/19/950675719.db2.gz FLMDSACUPIGCER-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575924504 950674916 /nfs/dbraw/zinc/67/49/16/950674916.db2.gz FLMDSACUPIGCER-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575924504 950674906 /nfs/dbraw/zinc/67/49/06/950674906.db2.gz FLMDSACUPIGCER-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925245 950678946 /nfs/dbraw/zinc/67/89/46/950678946.db2.gz GREWTZFNYCDOLC-NXEZZACHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925245 950678934 /nfs/dbraw/zinc/67/89/34/950678934.db2.gz GREWTZFNYCDOLC-NXEZZACHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925258 950678868 /nfs/dbraw/zinc/67/88/68/950678868.db2.gz GREWTZFNYCDOLC-UWVGGRQHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925258 950678862 /nfs/dbraw/zinc/67/88/62/950678862.db2.gz GREWTZFNYCDOLC-UWVGGRQHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925263 950679834 /nfs/dbraw/zinc/67/98/34/950679834.db2.gz GREWTZFNYCDOLC-VHSXEESVSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925263 950679813 /nfs/dbraw/zinc/67/98/13/950679813.db2.gz GREWTZFNYCDOLC-VHSXEESVSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925271 950681338 /nfs/dbraw/zinc/68/13/38/950681338.db2.gz GREWTZFNYCDOLC-ZJUUUORDSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925271 950681332 /nfs/dbraw/zinc/68/13/32/950681332.db2.gz GREWTZFNYCDOLC-ZJUUUORDSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575925986 950696295 /nfs/dbraw/zinc/69/62/95/950696295.db2.gz IHWPQNHBGWOUMA-PSASIEDQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575925986 950696279 /nfs/dbraw/zinc/69/62/79/950696279.db2.gz IHWPQNHBGWOUMA-PSASIEDQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575925987 950696749 /nfs/dbraw/zinc/69/67/49/950696749.db2.gz IHWPQNHBGWOUMA-SCZZXKLOSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575925987 950696740 /nfs/dbraw/zinc/69/67/40/950696740.db2.gz IHWPQNHBGWOUMA-SCZZXKLOSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575925988 950698257 /nfs/dbraw/zinc/69/82/57/950698257.db2.gz IHWPQNHBGWOUMA-WCBMZHEXSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575925988 950698246 /nfs/dbraw/zinc/69/82/46/950698246.db2.gz IHWPQNHBGWOUMA-WCBMZHEXSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575925989 950697951 /nfs/dbraw/zinc/69/79/51/950697951.db2.gz IHWPQNHBGWOUMA-WPRPVWTQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575925989 950697944 /nfs/dbraw/zinc/69/79/44/950697944.db2.gz IHWPQNHBGWOUMA-WPRPVWTQSA-N -1 1 378.418 -0.897 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575926258 950705989 /nfs/dbraw/zinc/70/59/89/950705989.db2.gz XBXDWOUAGOKEOC-GHMZBOCLSA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575926259 950707121 /nfs/dbraw/zinc/70/71/21/950707121.db2.gz XBXDWOUAGOKEOC-MNOVXSKESA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575926260 950703998 /nfs/dbraw/zinc/70/39/98/950703998.db2.gz XBXDWOUAGOKEOC-QWRGUYRKSA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575926261 950705823 /nfs/dbraw/zinc/70/58/23/950705823.db2.gz XBXDWOUAGOKEOC-WDEREUQCSA-N -1 1 387.448 -0.358 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575926406 950708687 /nfs/dbraw/zinc/70/86/87/950708687.db2.gz JWLLEMLNYZEDSX-NEPJUHHUSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575926406 950708674 /nfs/dbraw/zinc/70/86/74/950708674.db2.gz JWLLEMLNYZEDSX-NEPJUHHUSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575926410 950709988 /nfs/dbraw/zinc/70/99/88/950709988.db2.gz JWLLEMLNYZEDSX-NWDGAFQWSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575926410 950709973 /nfs/dbraw/zinc/70/99/73/950709973.db2.gz JWLLEMLNYZEDSX-NWDGAFQWSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575926412 950708360 /nfs/dbraw/zinc/70/83/60/950708360.db2.gz JWLLEMLNYZEDSX-RYUDHWBXSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575926412 950708342 /nfs/dbraw/zinc/70/83/42/950708342.db2.gz JWLLEMLNYZEDSX-RYUDHWBXSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575926413 950708782 /nfs/dbraw/zinc/70/87/82/950708782.db2.gz JWLLEMLNYZEDSX-VXGBXAGGSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575926413 950708769 /nfs/dbraw/zinc/70/87/69/950708769.db2.gz JWLLEMLNYZEDSX-VXGBXAGGSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926568 950713103 /nfs/dbraw/zinc/71/31/03/950713103.db2.gz XPYLJAPXMAGPSU-NEPJUHHUSA-N -1 1 387.448 -0.262 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926571 950712924 /nfs/dbraw/zinc/71/29/24/950712924.db2.gz XPYLJAPXMAGPSU-NWDGAFQWSA-N -1 1 387.448 -0.262 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926573 950715557 /nfs/dbraw/zinc/71/55/57/950715557.db2.gz XPYLJAPXMAGPSU-RYUDHWBXSA-N -1 1 387.448 -0.262 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926576 950712392 /nfs/dbraw/zinc/71/23/92/950712392.db2.gz XPYLJAPXMAGPSU-VXGBXAGGSA-N -1 1 387.448 -0.262 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575926614 950717759 /nfs/dbraw/zinc/71/77/59/950717759.db2.gz XWLJKYFJYLYOMN-NEPJUHHUSA-N -1 1 381.400 -0.658 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575926616 950720143 /nfs/dbraw/zinc/72/01/43/950720143.db2.gz XWLJKYFJYLYOMN-NWDGAFQWSA-N -1 1 381.400 -0.658 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575926618 950717405 /nfs/dbraw/zinc/71/74/05/950717405.db2.gz XWLJKYFJYLYOMN-RYUDHWBXSA-N -1 1 381.400 -0.658 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575926620 950720465 /nfs/dbraw/zinc/72/04/65/950720465.db2.gz XWLJKYFJYLYOMN-VXGBXAGGSA-N -1 1 381.400 -0.658 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575926744 950722742 /nfs/dbraw/zinc/72/27/42/950722742.db2.gz YLPWTYIFCIWYKW-CMPLNLGQSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575926746 950722416 /nfs/dbraw/zinc/72/24/16/950722416.db2.gz YLPWTYIFCIWYKW-JQWIXIFHSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575926748 950722293 /nfs/dbraw/zinc/72/22/93/950722293.db2.gz YLPWTYIFCIWYKW-PWSUYJOCSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575926750 950724390 /nfs/dbraw/zinc/72/43/90/950724390.db2.gz YLPWTYIFCIWYKW-ZYHUDNBSSA-N -1 1 380.416 -0.064 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575927034 950731315 /nfs/dbraw/zinc/73/13/15/950731315.db2.gz ZTCDISIAJPYMAO-AAEUAGOBSA-N -1 1 382.432 -0.154 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575927036 950732048 /nfs/dbraw/zinc/73/20/48/950732048.db2.gz ZTCDISIAJPYMAO-DGCLKSJQSA-N -1 1 382.432 -0.154 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575927038 950730937 /nfs/dbraw/zinc/73/09/37/950730937.db2.gz ZTCDISIAJPYMAO-WCQYABFASA-N -1 1 382.432 -0.154 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575927040 950730122 /nfs/dbraw/zinc/73/01/22/950730122.db2.gz ZTCDISIAJPYMAO-YPMHNXCESA-N -1 1 382.432 -0.154 20 0 GBADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575927070 950732218 /nfs/dbraw/zinc/73/22/18/950732218.db2.gz ZXUIMUWAVNNKNS-BDAKNGLRSA-N -1 1 383.372 -0.514 20 0 GBADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575927071 950731679 /nfs/dbraw/zinc/73/16/79/950731679.db2.gz ZXUIMUWAVNNKNS-DTWKUNHWSA-N -1 1 383.372 -0.514 20 0 GBADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575927072 950730600 /nfs/dbraw/zinc/73/06/00/950730600.db2.gz ZXUIMUWAVNNKNS-IUCAKERBSA-N -1 1 383.372 -0.514 20 0 GBADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575927073 950730541 /nfs/dbraw/zinc/73/05/41/950730541.db2.gz ZXUIMUWAVNNKNS-RKDXNWHRSA-N -1 1 383.372 -0.514 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001575927290 950741243 /nfs/dbraw/zinc/74/12/43/950741243.db2.gz ORHBEOLVVURUCB-PSASIEDQSA-N -1 1 385.388 -0.889 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001575927290 950741231 /nfs/dbraw/zinc/74/12/31/950741231.db2.gz ORHBEOLVVURUCB-PSASIEDQSA-N -1 1 385.388 -0.889 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001575927291 950739034 /nfs/dbraw/zinc/73/90/34/950739034.db2.gz ORHBEOLVVURUCB-SCZZXKLOSA-N -1 1 385.388 -0.889 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001575927291 950739030 /nfs/dbraw/zinc/73/90/30/950739030.db2.gz ORHBEOLVVURUCB-SCZZXKLOSA-N -1 1 385.388 -0.889 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001575927292 950739771 /nfs/dbraw/zinc/73/97/71/950739771.db2.gz ORHBEOLVVURUCB-WCBMZHEXSA-N -1 1 385.388 -0.889 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001575927292 950739754 /nfs/dbraw/zinc/73/97/54/950739754.db2.gz ORHBEOLVVURUCB-WCBMZHEXSA-N -1 1 385.388 -0.889 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001575927293 950738207 /nfs/dbraw/zinc/73/82/07/950738207.db2.gz ORHBEOLVVURUCB-WPRPVWTQSA-N -1 1 385.388 -0.889 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001575927293 950738189 /nfs/dbraw/zinc/73/81/89/950738189.db2.gz ORHBEOLVVURUCB-WPRPVWTQSA-N -1 1 385.388 -0.889 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575927589 950746536 /nfs/dbraw/zinc/74/65/36/950746536.db2.gz QKKQWCMLVZIOCU-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575927589 950746521 /nfs/dbraw/zinc/74/65/21/950746521.db2.gz QKKQWCMLVZIOCU-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575927590 950745978 /nfs/dbraw/zinc/74/59/78/950745978.db2.gz QKKQWCMLVZIOCU-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575927590 950745965 /nfs/dbraw/zinc/74/59/65/950745965.db2.gz QKKQWCMLVZIOCU-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575927591 950749464 /nfs/dbraw/zinc/74/94/64/950749464.db2.gz QKKQWCMLVZIOCU-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575927591 950749446 /nfs/dbraw/zinc/74/94/46/950749446.db2.gz QKKQWCMLVZIOCU-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575927592 950747605 /nfs/dbraw/zinc/74/76/05/950747605.db2.gz QKKQWCMLVZIOCU-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575927592 950747586 /nfs/dbraw/zinc/74/75/86/950747586.db2.gz QKKQWCMLVZIOCU-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575927781 950757058 /nfs/dbraw/zinc/75/70/58/950757058.db2.gz UHONGITXCIIIRN-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575927781 950757049 /nfs/dbraw/zinc/75/70/49/950757049.db2.gz UHONGITXCIIIRN-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575927782 950755292 /nfs/dbraw/zinc/75/52/92/950755292.db2.gz UHONGITXCIIIRN-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575927782 950755277 /nfs/dbraw/zinc/75/52/77/950755277.db2.gz UHONGITXCIIIRN-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575927783 950755096 /nfs/dbraw/zinc/75/50/96/950755096.db2.gz UHONGITXCIIIRN-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575927783 950755092 /nfs/dbraw/zinc/75/50/92/950755092.db2.gz UHONGITXCIIIRN-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575927784 950755640 /nfs/dbraw/zinc/75/56/40/950755640.db2.gz UHONGITXCIIIRN-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575927784 950755621 /nfs/dbraw/zinc/75/56/21/950755621.db2.gz UHONGITXCIIIRN-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2nnnn2c1 ZINC001575927809 950758657 /nfs/dbraw/zinc/75/86/57/950758657.db2.gz USOKTSYLAIPJCL-GXSJLCMTSA-N -1 1 392.387 -0.191 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2nnnn2c1 ZINC001575927809 950758645 /nfs/dbraw/zinc/75/86/45/950758645.db2.gz USOKTSYLAIPJCL-GXSJLCMTSA-N -1 1 392.387 -0.191 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2nnnn2c1 ZINC001575927810 950758487 /nfs/dbraw/zinc/75/84/87/950758487.db2.gz USOKTSYLAIPJCL-KOLCDFICSA-N -1 1 392.387 -0.191 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2nnnn2c1 ZINC001575927810 950758468 /nfs/dbraw/zinc/75/84/68/950758468.db2.gz USOKTSYLAIPJCL-KOLCDFICSA-N -1 1 392.387 -0.191 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2nnnn2c1 ZINC001575927811 950760311 /nfs/dbraw/zinc/76/03/11/950760311.db2.gz USOKTSYLAIPJCL-MWLCHTKSSA-N -1 1 392.387 -0.191 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2nnnn2c1 ZINC001575927811 950760292 /nfs/dbraw/zinc/76/02/92/950760292.db2.gz USOKTSYLAIPJCL-MWLCHTKSSA-N -1 1 392.387 -0.191 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2nnnn2c1 ZINC001575927812 950759389 /nfs/dbraw/zinc/75/93/89/950759389.db2.gz USOKTSYLAIPJCL-ONGXEEELSA-N -1 1 392.387 -0.191 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2nnnn2c1 ZINC001575927812 950759381 /nfs/dbraw/zinc/75/93/81/950759381.db2.gz USOKTSYLAIPJCL-ONGXEEELSA-N -1 1 392.387 -0.191 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575928081 950772734 /nfs/dbraw/zinc/77/27/34/950772734.db2.gz YKUJWAQVAUIUTP-NXEZZACHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575928081 950772723 /nfs/dbraw/zinc/77/27/23/950772723.db2.gz YKUJWAQVAUIUTP-NXEZZACHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575928082 950773621 /nfs/dbraw/zinc/77/36/21/950773621.db2.gz YKUJWAQVAUIUTP-UWVGGRQHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575928082 950773597 /nfs/dbraw/zinc/77/35/97/950773597.db2.gz YKUJWAQVAUIUTP-UWVGGRQHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575928083 950772147 /nfs/dbraw/zinc/77/21/47/950772147.db2.gz YKUJWAQVAUIUTP-VHSXEESVSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575928083 950772133 /nfs/dbraw/zinc/77/21/33/950772133.db2.gz YKUJWAQVAUIUTP-VHSXEESVSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575928084 950773164 /nfs/dbraw/zinc/77/31/64/950773164.db2.gz YKUJWAQVAUIUTP-ZJUUUORDSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575928084 950773152 /nfs/dbraw/zinc/77/31/52/950773152.db2.gz YKUJWAQVAUIUTP-ZJUUUORDSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575930657 950797134 /nfs/dbraw/zinc/79/71/34/950797134.db2.gz FUQASKJAVVJYEJ-NXEZZACHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575930657 950797121 /nfs/dbraw/zinc/79/71/21/950797121.db2.gz FUQASKJAVVJYEJ-NXEZZACHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575930659 950798496 /nfs/dbraw/zinc/79/84/96/950798496.db2.gz FUQASKJAVVJYEJ-UWVGGRQHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575930659 950798482 /nfs/dbraw/zinc/79/84/82/950798482.db2.gz FUQASKJAVVJYEJ-UWVGGRQHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575930661 950797803 /nfs/dbraw/zinc/79/78/03/950797803.db2.gz FUQASKJAVVJYEJ-VHSXEESVSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575930661 950797785 /nfs/dbraw/zinc/79/77/85/950797785.db2.gz FUQASKJAVVJYEJ-VHSXEESVSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575930663 950794987 /nfs/dbraw/zinc/79/49/87/950794987.db2.gz FUQASKJAVVJYEJ-ZJUUUORDSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575930663 950794975 /nfs/dbraw/zinc/79/49/75/950794975.db2.gz FUQASKJAVVJYEJ-ZJUUUORDSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575931479 950807453 /nfs/dbraw/zinc/80/74/53/950807453.db2.gz IEJKOXZNBFURDS-GHMZBOCLSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575931479 950807427 /nfs/dbraw/zinc/80/74/27/950807427.db2.gz IEJKOXZNBFURDS-GHMZBOCLSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575931480 950806665 /nfs/dbraw/zinc/80/66/65/950806665.db2.gz IEJKOXZNBFURDS-MNOVXSKESA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575931480 950806646 /nfs/dbraw/zinc/80/66/46/950806646.db2.gz IEJKOXZNBFURDS-MNOVXSKESA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575931481 950807639 /nfs/dbraw/zinc/80/76/39/950807639.db2.gz IEJKOXZNBFURDS-QWRGUYRKSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575931481 950807617 /nfs/dbraw/zinc/80/76/17/950807617.db2.gz IEJKOXZNBFURDS-QWRGUYRKSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575931483 950805111 /nfs/dbraw/zinc/80/51/11/950805111.db2.gz IEJKOXZNBFURDS-WDEREUQCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CN1CCCNC1=O ZINC001575931483 950805094 /nfs/dbraw/zinc/80/50/94/950805094.db2.gz IEJKOXZNBFURDS-WDEREUQCSA-N -1 1 386.420 -0.527 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575931874 950812715 /nfs/dbraw/zinc/81/27/15/950812715.db2.gz JGFZMAWGMOVUBL-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575931874 950812689 /nfs/dbraw/zinc/81/26/89/950812689.db2.gz JGFZMAWGMOVUBL-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575931876 950809988 /nfs/dbraw/zinc/80/99/88/950809988.db2.gz JGFZMAWGMOVUBL-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575931876 950809969 /nfs/dbraw/zinc/80/99/69/950809969.db2.gz JGFZMAWGMOVUBL-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575931879 950811751 /nfs/dbraw/zinc/81/17/51/950811751.db2.gz JGFZMAWGMOVUBL-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575931879 950811731 /nfs/dbraw/zinc/81/17/31/950811731.db2.gz JGFZMAWGMOVUBL-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575931881 950811998 /nfs/dbraw/zinc/81/19/98/950811998.db2.gz JGFZMAWGMOVUBL-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575931881 950811985 /nfs/dbraw/zinc/81/19/85/950811985.db2.gz JGFZMAWGMOVUBL-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575931960 950819615 /nfs/dbraw/zinc/81/96/15/950819615.db2.gz KEEOLVMFTMUZKI-GXSJLCMTSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575931960 950819596 /nfs/dbraw/zinc/81/95/96/950819596.db2.gz KEEOLVMFTMUZKI-GXSJLCMTSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575931961 950819886 /nfs/dbraw/zinc/81/98/86/950819886.db2.gz KEEOLVMFTMUZKI-KOLCDFICSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575931961 950819866 /nfs/dbraw/zinc/81/98/66/950819866.db2.gz KEEOLVMFTMUZKI-KOLCDFICSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575931962 950820299 /nfs/dbraw/zinc/82/02/99/950820299.db2.gz KEEOLVMFTMUZKI-MWLCHTKSSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575931962 950820279 /nfs/dbraw/zinc/82/02/79/950820279.db2.gz KEEOLVMFTMUZKI-MWLCHTKSSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575931963 950818433 /nfs/dbraw/zinc/81/84/33/950818433.db2.gz KEEOLVMFTMUZKI-ONGXEEELSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575931963 950818408 /nfs/dbraw/zinc/81/84/08/950818408.db2.gz KEEOLVMFTMUZKI-ONGXEEELSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575932196 950823865 /nfs/dbraw/zinc/82/38/65/950823865.db2.gz KJYWJRLLYYHBNC-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575932196 950823841 /nfs/dbraw/zinc/82/38/41/950823841.db2.gz KJYWJRLLYYHBNC-NXEZZACHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575932197 950823129 /nfs/dbraw/zinc/82/31/29/950823129.db2.gz KJYWJRLLYYHBNC-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575932197 950823105 /nfs/dbraw/zinc/82/31/05/950823105.db2.gz KJYWJRLLYYHBNC-UWVGGRQHSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575932198 950822594 /nfs/dbraw/zinc/82/25/94/950822594.db2.gz KJYWJRLLYYHBNC-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575932198 950822574 /nfs/dbraw/zinc/82/25/74/950822574.db2.gz KJYWJRLLYYHBNC-VHSXEESVSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575932199 950822168 /nfs/dbraw/zinc/82/21/68/950822168.db2.gz KJYWJRLLYYHBNC-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575932199 950822147 /nfs/dbraw/zinc/82/21/47/950822147.db2.gz KJYWJRLLYYHBNC-ZJUUUORDSA-N -1 1 382.388 -0.535 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575933614 950842437 /nfs/dbraw/zinc/84/24/37/950842437.db2.gz OWKOMMOXBXJORC-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575933614 950842414 /nfs/dbraw/zinc/84/24/14/950842414.db2.gz OWKOMMOXBXJORC-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575933615 950837649 /nfs/dbraw/zinc/83/76/49/950837649.db2.gz OWKOMMOXBXJORC-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575933615 950837628 /nfs/dbraw/zinc/83/76/28/950837628.db2.gz OWKOMMOXBXJORC-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575933616 950838381 /nfs/dbraw/zinc/83/83/81/950838381.db2.gz OWKOMMOXBXJORC-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575933616 950838356 /nfs/dbraw/zinc/83/83/56/950838356.db2.gz OWKOMMOXBXJORC-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575933617 950842368 /nfs/dbraw/zinc/84/23/68/950842368.db2.gz OWKOMMOXBXJORC-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575933617 950842347 /nfs/dbraw/zinc/84/23/47/950842347.db2.gz OWKOMMOXBXJORC-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575934738 950867242 /nfs/dbraw/zinc/86/72/42/950867242.db2.gz TUYBGGDRYMSZFK-NEPJUHHUSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575934738 950867223 /nfs/dbraw/zinc/86/72/23/950867223.db2.gz TUYBGGDRYMSZFK-NEPJUHHUSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575934740 950867777 /nfs/dbraw/zinc/86/77/77/950867777.db2.gz TUYBGGDRYMSZFK-NWDGAFQWSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575934740 950867763 /nfs/dbraw/zinc/86/77/63/950867763.db2.gz TUYBGGDRYMSZFK-NWDGAFQWSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575934743 950868648 /nfs/dbraw/zinc/86/86/48/950868648.db2.gz TUYBGGDRYMSZFK-RYUDHWBXSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575934743 950868624 /nfs/dbraw/zinc/86/86/24/950868624.db2.gz TUYBGGDRYMSZFK-RYUDHWBXSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575934745 950868227 /nfs/dbraw/zinc/86/82/27/950868227.db2.gz TUYBGGDRYMSZFK-VXGBXAGGSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cn1ccccc1=O ZINC001575934745 950868214 /nfs/dbraw/zinc/86/82/14/950868214.db2.gz TUYBGGDRYMSZFK-VXGBXAGGSA-N -1 1 381.400 -0.080 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575936181 950908875 /nfs/dbraw/zinc/90/88/75/950908875.db2.gz CPFGYVWELCXAIM-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575936181 950908860 /nfs/dbraw/zinc/90/88/60/950908860.db2.gz CPFGYVWELCXAIM-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575936182 950907303 /nfs/dbraw/zinc/90/73/03/950907303.db2.gz CPFGYVWELCXAIM-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575936182 950907292 /nfs/dbraw/zinc/90/72/92/950907292.db2.gz CPFGYVWELCXAIM-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575936183 950906668 /nfs/dbraw/zinc/90/66/68/950906668.db2.gz CPFGYVWELCXAIM-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575936183 950906652 /nfs/dbraw/zinc/90/66/52/950906652.db2.gz CPFGYVWELCXAIM-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575936184 950908455 /nfs/dbraw/zinc/90/84/55/950908455.db2.gz CPFGYVWELCXAIM-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575936184 950908420 /nfs/dbraw/zinc/90/84/20/950908420.db2.gz CPFGYVWELCXAIM-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575936448 950911139 /nfs/dbraw/zinc/91/11/39/950911139.db2.gz DXOYXQRNZQGRRD-NXEZZACHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575936448 950911124 /nfs/dbraw/zinc/91/11/24/950911124.db2.gz DXOYXQRNZQGRRD-NXEZZACHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575936449 950912495 /nfs/dbraw/zinc/91/24/95/950912495.db2.gz DXOYXQRNZQGRRD-UWVGGRQHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575936449 950912487 /nfs/dbraw/zinc/91/24/87/950912487.db2.gz DXOYXQRNZQGRRD-UWVGGRQHSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575936450 950912640 /nfs/dbraw/zinc/91/26/40/950912640.db2.gz DXOYXQRNZQGRRD-VHSXEESVSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575936450 950912625 /nfs/dbraw/zinc/91/26/25/950912625.db2.gz DXOYXQRNZQGRRD-VHSXEESVSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575936452 950910651 /nfs/dbraw/zinc/91/06/51/950910651.db2.gz DXOYXQRNZQGRRD-ZJUUUORDSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575936452 950910635 /nfs/dbraw/zinc/91/06/35/950910635.db2.gz DXOYXQRNZQGRRD-ZJUUUORDSA-N -1 1 384.404 -0.591 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575936674 950920112 /nfs/dbraw/zinc/92/01/12/950920112.db2.gz HNDXXKPEFXHQRB-GXSJLCMTSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575936674 950920096 /nfs/dbraw/zinc/92/00/96/950920096.db2.gz HNDXXKPEFXHQRB-GXSJLCMTSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575936676 950921345 /nfs/dbraw/zinc/92/13/45/950921345.db2.gz HNDXXKPEFXHQRB-KOLCDFICSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575936676 950921333 /nfs/dbraw/zinc/92/13/33/950921333.db2.gz HNDXXKPEFXHQRB-KOLCDFICSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575936678 950921249 /nfs/dbraw/zinc/92/12/49/950921249.db2.gz HNDXXKPEFXHQRB-MWLCHTKSSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575936678 950921229 /nfs/dbraw/zinc/92/12/29/950921229.db2.gz HNDXXKPEFXHQRB-MWLCHTKSSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575936680 950924142 /nfs/dbraw/zinc/92/41/42/950924142.db2.gz HNDXXKPEFXHQRB-ONGXEEELSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575936680 950924123 /nfs/dbraw/zinc/92/41/23/950924123.db2.gz HNDXXKPEFXHQRB-ONGXEEELSA-N -1 1 392.445 -0.507 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575936787 950927047 /nfs/dbraw/zinc/92/70/47/950927047.db2.gz IJIZHUHJGGLENW-NXEZZACHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575936787 950927033 /nfs/dbraw/zinc/92/70/33/950927033.db2.gz IJIZHUHJGGLENW-NXEZZACHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575936788 950925859 /nfs/dbraw/zinc/92/58/59/950925859.db2.gz IJIZHUHJGGLENW-UWVGGRQHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575936788 950925842 /nfs/dbraw/zinc/92/58/42/950925842.db2.gz IJIZHUHJGGLENW-UWVGGRQHSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575936789 950925969 /nfs/dbraw/zinc/92/59/69/950925969.db2.gz IJIZHUHJGGLENW-VHSXEESVSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575936789 950925952 /nfs/dbraw/zinc/92/59/52/950925952.db2.gz IJIZHUHJGGLENW-VHSXEESVSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575936791 950927352 /nfs/dbraw/zinc/92/73/52/950927352.db2.gz IJIZHUHJGGLENW-ZJUUUORDSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575936791 950927337 /nfs/dbraw/zinc/92/73/37/950927337.db2.gz IJIZHUHJGGLENW-ZJUUUORDSA-N -1 1 382.388 -0.039 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575938125 950970576 /nfs/dbraw/zinc/97/05/76/950970576.db2.gz MWGAQQIUMIGJKP-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575938125 950970557 /nfs/dbraw/zinc/97/05/57/950970557.db2.gz MWGAQQIUMIGJKP-CMPLNLGQSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575938127 950970715 /nfs/dbraw/zinc/97/07/15/950970715.db2.gz MWGAQQIUMIGJKP-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575938127 950970692 /nfs/dbraw/zinc/97/06/92/950970692.db2.gz MWGAQQIUMIGJKP-JQWIXIFHSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575938129 950970054 /nfs/dbraw/zinc/97/00/54/950970054.db2.gz MWGAQQIUMIGJKP-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575938129 950970041 /nfs/dbraw/zinc/97/00/41/950970041.db2.gz MWGAQQIUMIGJKP-PWSUYJOCSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575938130 950972678 /nfs/dbraw/zinc/97/26/78/950972678.db2.gz MWGAQQIUMIGJKP-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575938130 950972669 /nfs/dbraw/zinc/97/26/69/950972669.db2.gz MWGAQQIUMIGJKP-ZYHUDNBSSA-N -1 1 383.420 -0.181 20 0 GBADMM C[C@@H]1CCC[C@@H](OCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576152062 949242831 /nfs/dbraw/zinc/24/28/31/949242831.db2.gz IFEKKCNVJFFYNE-GHMZBOCLSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@@H]1CCC[C@H](OCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576152063 949242590 /nfs/dbraw/zinc/24/25/90/949242590.db2.gz IFEKKCNVJFFYNE-MNOVXSKESA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)[C@H]1C ZINC001576152165 949243169 /nfs/dbraw/zinc/24/31/69/949243169.db2.gz ILZZSVXCGIEBED-MDZLAQPJSA-N -1 1 391.432 -0.877 20 0 GBADMM C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)[C@@H]1C ZINC001576152166 949244539 /nfs/dbraw/zinc/24/45/39/949244539.db2.gz ILZZSVXCGIEBED-NQBHXWOUSA-N -1 1 391.432 -0.877 20 0 GBADMM C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)[C@H]1C ZINC001576152167 949244040 /nfs/dbraw/zinc/24/40/40/949244040.db2.gz ILZZSVXCGIEBED-NTZNESFSSA-N -1 1 391.432 -0.877 20 0 GBADMM C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)[C@@H]1C ZINC001576152169 949245449 /nfs/dbraw/zinc/24/54/49/949245449.db2.gz ILZZSVXCGIEBED-WZRBSPASSA-N -1 1 391.432 -0.877 20 0 GBADMM C[C@H]1CCC[C@H](OCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576152275 949246992 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949567993 /nfs/dbraw/zinc/56/79/93/949567993.db2.gz JRMRJXDCXPPMLI-LBPRGKRZSA-N -1 1 387.448 -0.403 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576166030 949574704 /nfs/dbraw/zinc/57/47/04/949574704.db2.gz KWZPSJDBAWVHGY-IJLUTSLNSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576166030 949574688 /nfs/dbraw/zinc/57/46/88/949574688.db2.gz KWZPSJDBAWVHGY-IJLUTSLNSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576166032 949573991 /nfs/dbraw/zinc/57/39/91/949573991.db2.gz KWZPSJDBAWVHGY-SRVKXCTJSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576166032 949573982 /nfs/dbraw/zinc/57/39/82/949573982.db2.gz KWZPSJDBAWVHGY-SRVKXCTJSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576166496 949583866 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MMVWTCMZJVWQSJ-RYUDHWBXSA-N -1 1 385.432 -0.072 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576166499 949584693 /nfs/dbraw/zinc/58/46/93/949584693.db2.gz MMVWTCMZJVWQSJ-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576166499 949584676 /nfs/dbraw/zinc/58/46/76/949584676.db2.gz MMVWTCMZJVWQSJ-VXGBXAGGSA-N -1 1 385.432 -0.072 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576166632 949582778 /nfs/dbraw/zinc/58/27/78/949582778.db2.gz MXPFSJCDWNLIQD-SDDRHHMPSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576166632 949582765 /nfs/dbraw/zinc/58/27/65/949582765.db2.gz MXPFSJCDWNLIQD-SDDRHHMPSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576166633 949583137 /nfs/dbraw/zinc/58/31/37/949583137.db2.gz MXPFSJCDWNLIQD-UTUOFQBUSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576166633 949583122 /nfs/dbraw/zinc/58/31/22/949583122.db2.gz MXPFSJCDWNLIQD-UTUOFQBUSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576167566 949608392 /nfs/dbraw/zinc/60/83/92/949608392.db2.gz QQXFKQKGSGRSOZ-NEPJUHHUSA-N -1 1 385.432 -0.650 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576167567 949612659 /nfs/dbraw/zinc/61/26/59/949612659.db2.gz QQXFKQKGSGRSOZ-RYUDHWBXSA-N -1 1 385.432 -0.650 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168007 949625931 /nfs/dbraw/zinc/62/59/31/949625931.db2.gz BDKJLHSNKDYIEO-AAEUAGOBSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168007 949625916 /nfs/dbraw/zinc/62/59/16/949625916.db2.gz BDKJLHSNKDYIEO-AAEUAGOBSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168010 949625765 /nfs/dbraw/zinc/62/57/65/949625765.db2.gz BDKJLHSNKDYIEO-DGCLKSJQSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168010 949625744 /nfs/dbraw/zinc/62/57/44/949625744.db2.gz BDKJLHSNKDYIEO-DGCLKSJQSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168012 949627761 /nfs/dbraw/zinc/62/77/61/949627761.db2.gz BDKJLHSNKDYIEO-WCQYABFASA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168012 949627748 /nfs/dbraw/zinc/62/77/48/949627748.db2.gz BDKJLHSNKDYIEO-WCQYABFASA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168014 949626660 /nfs/dbraw/zinc/62/66/60/949626660.db2.gz BDKJLHSNKDYIEO-YPMHNXCESA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168014 949626647 /nfs/dbraw/zinc/62/66/47/949626647.db2.gz BDKJLHSNKDYIEO-YPMHNXCESA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168634 949648472 /nfs/dbraw/zinc/64/84/72/949648472.db2.gz CRVQXQUVCQAZDG-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168634 949648448 /nfs/dbraw/zinc/64/84/48/949648448.db2.gz CRVQXQUVCQAZDG-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168638 949649591 /nfs/dbraw/zinc/64/95/91/949649591.db2.gz CRVQXQUVCQAZDG-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168638 949649581 /nfs/dbraw/zinc/64/95/81/949649581.db2.gz CRVQXQUVCQAZDG-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168640 949648800 /nfs/dbraw/zinc/64/88/00/949648800.db2.gz CRVQXQUVCQAZDG-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168640 949648788 /nfs/dbraw/zinc/64/87/88/949648788.db2.gz CRVQXQUVCQAZDG-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168642 949650599 /nfs/dbraw/zinc/65/05/99/949650599.db2.gz CRVQXQUVCQAZDG-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168642 949650587 /nfs/dbraw/zinc/65/05/87/949650587.db2.gz CRVQXQUVCQAZDG-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168907 949653583 /nfs/dbraw/zinc/65/35/83/949653583.db2.gz CXXZDMWHMVEUQI-NEPJUHHUSA-N -1 1 383.420 -0.591 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168911 949652263 /nfs/dbraw/zinc/65/22/63/949652263.db2.gz CXXZDMWHMVEUQI-NWDGAFQWSA-N -1 1 383.420 -0.591 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168914 949653351 /nfs/dbraw/zinc/65/33/51/949653351.db2.gz CXXZDMWHMVEUQI-RYUDHWBXSA-N -1 1 383.420 -0.591 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168915 949654880 /nfs/dbraw/zinc/65/48/80/949654880.db2.gz CXXZDMWHMVEUQI-VXGBXAGGSA-N -1 1 383.420 -0.591 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576168999 949657115 /nfs/dbraw/zinc/65/71/15/949657115.db2.gz WWZNILIDVPXIOH-GFCCVEGCSA-N -1 1 385.432 -0.436 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576168999 949657093 /nfs/dbraw/zinc/65/70/93/949657093.db2.gz WWZNILIDVPXIOH-GFCCVEGCSA-N -1 1 385.432 -0.436 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576169002 949658643 /nfs/dbraw/zinc/65/86/43/949658643.db2.gz WWZNILIDVPXIOH-LBPRGKRZSA-N -1 1 385.432 -0.436 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576169002 949658632 /nfs/dbraw/zinc/65/86/32/949658632.db2.gz WWZNILIDVPXIOH-LBPRGKRZSA-N -1 1 385.432 -0.436 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576169028 949658302 /nfs/dbraw/zinc/65/83/02/949658302.db2.gz XBKSFKCPQHFKJK-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576169028 949658292 /nfs/dbraw/zinc/65/82/92/949658292.db2.gz XBKSFKCPQHFKJK-NEPJUHHUSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576169031 949661739 /nfs/dbraw/zinc/66/17/39/949661739.db2.gz XBKSFKCPQHFKJK-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576169031 949661720 /nfs/dbraw/zinc/66/17/20/949661720.db2.gz XBKSFKCPQHFKJK-RYUDHWBXSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169064 949661434 /nfs/dbraw/zinc/66/14/34/949661434.db2.gz DQZNHDVWULNFHW-AAEUAGOBSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169064 949661425 /nfs/dbraw/zinc/66/14/25/949661425.db2.gz DQZNHDVWULNFHW-AAEUAGOBSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169065 949662810 /nfs/dbraw/zinc/66/28/10/949662810.db2.gz DQZNHDVWULNFHW-DGCLKSJQSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169065 949662798 /nfs/dbraw/zinc/66/27/98/949662798.db2.gz DQZNHDVWULNFHW-DGCLKSJQSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169066 949663566 /nfs/dbraw/zinc/66/35/66/949663566.db2.gz DQZNHDVWULNFHW-WCQYABFASA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169066 949663550 /nfs/dbraw/zinc/66/35/50/949663550.db2.gz DQZNHDVWULNFHW-WCQYABFASA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169067 949663073 /nfs/dbraw/zinc/66/30/73/949663073.db2.gz DQZNHDVWULNFHW-YPMHNXCESA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169067 949663059 /nfs/dbraw/zinc/66/30/59/949663059.db2.gz DQZNHDVWULNFHW-YPMHNXCESA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169285 949672561 /nfs/dbraw/zinc/67/25/61/949672561.db2.gz GGWOFZCWDQSIKG-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169285 949672550 /nfs/dbraw/zinc/67/25/50/949672550.db2.gz GGWOFZCWDQSIKG-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169287 949673449 /nfs/dbraw/zinc/67/34/49/949673449.db2.gz GGWOFZCWDQSIKG-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169287 949673431 /nfs/dbraw/zinc/67/34/31/949673431.db2.gz GGWOFZCWDQSIKG-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169291 949672247 /nfs/dbraw/zinc/67/22/47/949672247.db2.gz GGWOFZCWDQSIKG-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169291 949672232 /nfs/dbraw/zinc/67/22/32/949672232.db2.gz GGWOFZCWDQSIKG-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169293 949671160 /nfs/dbraw/zinc/67/11/60/949671160.db2.gz GGWOFZCWDQSIKG-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169293 949671149 /nfs/dbraw/zinc/67/11/49/949671149.db2.gz GGWOFZCWDQSIKG-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCC[C@H]1OCC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576169588 949684553 /nfs/dbraw/zinc/68/45/53/949684553.db2.gz YWHMSMOQMRJAFA-CMPLNLGQSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576169591 949684899 /nfs/dbraw/zinc/68/48/99/949684899.db2.gz YWHMSMOQMRJAFA-JQWIXIFHSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576169594 949683075 /nfs/dbraw/zinc/68/30/75/949683075.db2.gz YWHMSMOQMRJAFA-PWSUYJOCSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576169597 949684266 /nfs/dbraw/zinc/68/42/66/949684266.db2.gz YWHMSMOQMRJAFA-ZYHUDNBSSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576169674 949691410 /nfs/dbraw/zinc/69/14/10/949691410.db2.gz ZSPXVGDCIKKVSB-CMPLNLGQSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576169676 949690160 /nfs/dbraw/zinc/69/01/60/949690160.db2.gz ZSPXVGDCIKKVSB-JQWIXIFHSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576169678 949687456 /nfs/dbraw/zinc/68/74/56/949687456.db2.gz ZSPXVGDCIKKVSB-PWSUYJOCSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576169680 949689806 /nfs/dbraw/zinc/68/98/06/949689806.db2.gz ZSPXVGDCIKKVSB-ZYHUDNBSSA-N -1 1 377.405 -0.160 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169773 949693182 /nfs/dbraw/zinc/69/31/82/949693182.db2.gz IDJVBZJSKCFEMY-GHMZBOCLSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169775 949696454 /nfs/dbraw/zinc/69/64/54/949696454.db2.gz IDJVBZJSKCFEMY-MNOVXSKESA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169915 949698022 /nfs/dbraw/zinc/69/80/22/949698022.db2.gz IDJVBZJSKCFEMY-QWRGUYRKSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169918 949699625 /nfs/dbraw/zinc/69/96/25/949699625.db2.gz IDJVBZJSKCFEMY-WDEREUQCSA-N -1 1 388.436 -0.824 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170363 949717775 /nfs/dbraw/zinc/71/77/75/949717775.db2.gz KQRVMZCWJADSHF-NEPJUHHUSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170363 949717758 /nfs/dbraw/zinc/71/77/58/949717758.db2.gz KQRVMZCWJADSHF-NEPJUHHUSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170364 949719083 /nfs/dbraw/zinc/71/90/83/949719083.db2.gz KQRVMZCWJADSHF-NWDGAFQWSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170364 949719073 /nfs/dbraw/zinc/71/90/73/949719073.db2.gz KQRVMZCWJADSHF-NWDGAFQWSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170366 949720459 /nfs/dbraw/zinc/72/04/59/949720459.db2.gz KQRVMZCWJADSHF-RYUDHWBXSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170366 949720418 /nfs/dbraw/zinc/72/04/18/949720418.db2.gz KQRVMZCWJADSHF-RYUDHWBXSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170368 949717380 /nfs/dbraw/zinc/71/73/80/949717380.db2.gz KQRVMZCWJADSHF-VXGBXAGGSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170368 949717364 /nfs/dbraw/zinc/71/73/64/949717364.db2.gz KQRVMZCWJADSHF-VXGBXAGGSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170476 949720047 /nfs/dbraw/zinc/72/00/47/949720047.db2.gz LFIJDTGPBJLSRJ-CMPLNLGQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170476 949720030 /nfs/dbraw/zinc/72/00/30/949720030.db2.gz LFIJDTGPBJLSRJ-CMPLNLGQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170477 949716976 /nfs/dbraw/zinc/71/69/76/949716976.db2.gz LFIJDTGPBJLSRJ-JQWIXIFHSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170477 949716958 /nfs/dbraw/zinc/71/69/58/949716958.db2.gz LFIJDTGPBJLSRJ-JQWIXIFHSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170478 949719377 /nfs/dbraw/zinc/71/93/77/949719377.db2.gz LFIJDTGPBJLSRJ-PWSUYJOCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170478 949719365 /nfs/dbraw/zinc/71/93/65/949719365.db2.gz LFIJDTGPBJLSRJ-PWSUYJOCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170479 949717453 /nfs/dbraw/zinc/71/74/53/949717453.db2.gz LFIJDTGPBJLSRJ-ZYHUDNBSSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170479 949717430 /nfs/dbraw/zinc/71/74/30/949717430.db2.gz LFIJDTGPBJLSRJ-ZYHUDNBSSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170536 949724549 /nfs/dbraw/zinc/72/45/49/949724549.db2.gz MDWCQGMBNUONNL-GHMZBOCLSA-N -1 1 383.420 -0.522 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170537 949721547 /nfs/dbraw/zinc/72/15/47/949721547.db2.gz MDWCQGMBNUONNL-MNOVXSKESA-N -1 1 383.420 -0.522 20 0 GBADMM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170538 949724471 /nfs/dbraw/zinc/72/44/71/949724471.db2.gz MDWCQGMBNUONNL-QWRGUYRKSA-N -1 1 383.420 -0.522 20 0 GBADMM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170539 949724390 /nfs/dbraw/zinc/72/43/90/949724390.db2.gz MDWCQGMBNUONNL-WDEREUQCSA-N -1 1 383.420 -0.522 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170660 949729000 /nfs/dbraw/zinc/72/90/00/949729000.db2.gz MSFQSAJZLCDYIF-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170660 949728985 /nfs/dbraw/zinc/72/89/85/949728985.db2.gz MSFQSAJZLCDYIF-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170661 949726991 /nfs/dbraw/zinc/72/69/91/949726991.db2.gz MSFQSAJZLCDYIF-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170661 949726984 /nfs/dbraw/zinc/72/69/84/949726984.db2.gz MSFQSAJZLCDYIF-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170662 949727639 /nfs/dbraw/zinc/72/76/39/949727639.db2.gz MSFQSAJZLCDYIF-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170662 949727614 /nfs/dbraw/zinc/72/76/14/949727614.db2.gz MSFQSAJZLCDYIF-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170663 949728090 /nfs/dbraw/zinc/72/80/90/949728090.db2.gz MSFQSAJZLCDYIF-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170663 949728073 /nfs/dbraw/zinc/72/80/73/949728073.db2.gz MSFQSAJZLCDYIF-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170732 949732273 /nfs/dbraw/zinc/73/22/73/949732273.db2.gz NSBYUXLORGUYPU-CMPLNLGQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170732 949732256 /nfs/dbraw/zinc/73/22/56/949732256.db2.gz NSBYUXLORGUYPU-CMPLNLGQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170733 949734726 /nfs/dbraw/zinc/73/47/26/949734726.db2.gz NSBYUXLORGUYPU-JQWIXIFHSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170733 949734713 /nfs/dbraw/zinc/73/47/13/949734713.db2.gz NSBYUXLORGUYPU-JQWIXIFHSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170734 949733743 /nfs/dbraw/zinc/73/37/43/949733743.db2.gz NSBYUXLORGUYPU-PWSUYJOCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170734 949733730 /nfs/dbraw/zinc/73/37/30/949733730.db2.gz NSBYUXLORGUYPU-PWSUYJOCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170735 949733388 /nfs/dbraw/zinc/73/33/88/949733388.db2.gz NSBYUXLORGUYPU-ZYHUDNBSSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170735 949733374 /nfs/dbraw/zinc/73/33/74/949733374.db2.gz NSBYUXLORGUYPU-ZYHUDNBSSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170867 949744145 /nfs/dbraw/zinc/74/41/45/949744145.db2.gz OGAKSEXGMOQWEI-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170867 949744122 /nfs/dbraw/zinc/74/41/22/949744122.db2.gz OGAKSEXGMOQWEI-GHMZBOCLSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170868 949743855 /nfs/dbraw/zinc/74/38/55/949743855.db2.gz OGAKSEXGMOQWEI-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170868 949743836 /nfs/dbraw/zinc/74/38/36/949743836.db2.gz OGAKSEXGMOQWEI-MNOVXSKESA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170872 949742312 /nfs/dbraw/zinc/74/23/12/949742312.db2.gz OGAKSEXGMOQWEI-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170872 949742300 /nfs/dbraw/zinc/74/23/00/949742300.db2.gz OGAKSEXGMOQWEI-QWRGUYRKSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170877 949742087 /nfs/dbraw/zinc/74/20/87/949742087.db2.gz OGAKSEXGMOQWEI-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170877 949742075 /nfs/dbraw/zinc/74/20/75/949742075.db2.gz OGAKSEXGMOQWEI-WDEREUQCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171175 949754256 /nfs/dbraw/zinc/75/42/56/949754256.db2.gz PILOESZUWLXUHF-CMPLNLGQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171175 949754244 /nfs/dbraw/zinc/75/42/44/949754244.db2.gz PILOESZUWLXUHF-CMPLNLGQSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171177 949750924 /nfs/dbraw/zinc/75/09/24/949750924.db2.gz PILOESZUWLXUHF-JQWIXIFHSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171177 949750907 /nfs/dbraw/zinc/75/09/07/949750907.db2.gz PILOESZUWLXUHF-JQWIXIFHSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171179 949751309 /nfs/dbraw/zinc/75/13/09/949751309.db2.gz PILOESZUWLXUHF-PWSUYJOCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171179 949751300 /nfs/dbraw/zinc/75/13/00/949751300.db2.gz PILOESZUWLXUHF-PWSUYJOCSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171181 949753818 /nfs/dbraw/zinc/75/38/18/949753818.db2.gz PILOESZUWLXUHF-ZYHUDNBSSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171181 949753801 /nfs/dbraw/zinc/75/38/01/949753801.db2.gz PILOESZUWLXUHF-ZYHUDNBSSA-N -1 1 388.436 -0.246 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171442 949768136 /nfs/dbraw/zinc/76/81/36/949768136.db2.gz QLLCYBICINWATR-GHMZBOCLSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171442 949768116 /nfs/dbraw/zinc/76/81/16/949768116.db2.gz QLLCYBICINWATR-GHMZBOCLSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171443 949768945 /nfs/dbraw/zinc/76/89/45/949768945.db2.gz QLLCYBICINWATR-MNOVXSKESA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171443 949768931 /nfs/dbraw/zinc/76/89/31/949768931.db2.gz QLLCYBICINWATR-MNOVXSKESA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171444 949767139 /nfs/dbraw/zinc/76/71/39/949767139.db2.gz QLLCYBICINWATR-QWRGUYRKSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171444 949767123 /nfs/dbraw/zinc/76/71/23/949767123.db2.gz QLLCYBICINWATR-QWRGUYRKSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171445 949768657 /nfs/dbraw/zinc/76/86/57/949768657.db2.gz QLLCYBICINWATR-WDEREUQCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171445 949768636 /nfs/dbraw/zinc/76/86/36/949768636.db2.gz QLLCYBICINWATR-WDEREUQCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576172258 949796802 /nfs/dbraw/zinc/79/68/02/949796802.db2.gz VYTATRLKEXNKNK-AAEUAGOBSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576172258 949796788 /nfs/dbraw/zinc/79/67/88/949796788.db2.gz VYTATRLKEXNKNK-AAEUAGOBSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576172259 949796270 /nfs/dbraw/zinc/79/62/70/949796270.db2.gz VYTATRLKEXNKNK-DGCLKSJQSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576172259 949796257 /nfs/dbraw/zinc/79/62/57/949796257.db2.gz VYTATRLKEXNKNK-DGCLKSJQSA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576172260 949794786 /nfs/dbraw/zinc/79/47/86/949794786.db2.gz VYTATRLKEXNKNK-WCQYABFASA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576172260 949794769 /nfs/dbraw/zinc/79/47/69/949794769.db2.gz VYTATRLKEXNKNK-WCQYABFASA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576172261 949795013 /nfs/dbraw/zinc/79/50/13/949795013.db2.gz VYTATRLKEXNKNK-YPMHNXCESA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576172261 949795001 /nfs/dbraw/zinc/79/50/01/949795001.db2.gz VYTATRLKEXNKNK-YPMHNXCESA-N -1 1 383.420 -0.013 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172262 949796836 /nfs/dbraw/zinc/79/68/36/949796836.db2.gz VYYRIICQRQSHGJ-NEPJUHHUSA-N -1 1 387.448 -0.227 20 0 GBADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172263 949794565 /nfs/dbraw/zinc/79/45/65/949794565.db2.gz VYYRIICQRQSHGJ-NWDGAFQWSA-N -1 1 387.448 -0.227 20 0 GBADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172264 949797449 /nfs/dbraw/zinc/79/74/49/949797449.db2.gz VYYRIICQRQSHGJ-RYUDHWBXSA-N -1 1 387.448 -0.227 20 0 GBADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172265 949796697 /nfs/dbraw/zinc/79/66/97/949796697.db2.gz VYYRIICQRQSHGJ-VXGBXAGGSA-N -1 1 387.448 -0.227 20 0 GBADMM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172624 949810103 /nfs/dbraw/zinc/81/01/03/949810103.db2.gz YGBHGRAWKGAXHM-CMPLNLGQSA-N -1 1 383.420 -0.060 20 0 GBADMM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172625 949810912 /nfs/dbraw/zinc/81/09/12/949810912.db2.gz YGBHGRAWKGAXHM-JQWIXIFHSA-N -1 1 383.420 -0.060 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172626 949813386 /nfs/dbraw/zinc/81/33/86/949813386.db2.gz YGBHGRAWKGAXHM-PWSUYJOCSA-N -1 1 383.420 -0.060 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172627 949809221 /nfs/dbraw/zinc/80/92/21/949809221.db2.gz YGBHGRAWKGAXHM-ZYHUDNBSSA-N -1 1 383.420 -0.060 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172930 949829594 /nfs/dbraw/zinc/82/95/94/949829594.db2.gz ZSOUIYUPKDESTB-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172930 949829571 /nfs/dbraw/zinc/82/95/71/949829571.db2.gz ZSOUIYUPKDESTB-CMPLNLGQSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172931 949825106 /nfs/dbraw/zinc/82/51/06/949825106.db2.gz ZSOUIYUPKDESTB-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172931 949825086 /nfs/dbraw/zinc/82/50/86/949825086.db2.gz ZSOUIYUPKDESTB-JQWIXIFHSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172932 949827223 /nfs/dbraw/zinc/82/72/23/949827223.db2.gz ZSOUIYUPKDESTB-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172932 949827193 /nfs/dbraw/zinc/82/71/93/949827193.db2.gz ZSOUIYUPKDESTB-PWSUYJOCSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172933 949825560 /nfs/dbraw/zinc/82/55/60/949825560.db2.gz ZSOUIYUPKDESTB-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172933 949825534 /nfs/dbraw/zinc/82/55/34/949825534.db2.gz ZSOUIYUPKDESTB-ZYHUDNBSSA-N -1 1 384.408 -0.618 20 0 GBADMM C[C@@H](CCNC(=O)C(=O)N1CCC(C)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576177693 949853032 /nfs/dbraw/zinc/85/30/32/949853032.db2.gz ANYAGWBHWLDDAQ-LBPRGKRZSA-N -1 1 387.448 -0.356 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177728 949852094 /nfs/dbraw/zinc/85/20/94/949852094.db2.gz AVRCPYHDHSXRIL-GXSJLCMTSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177728 949852067 /nfs/dbraw/zinc/85/20/67/949852067.db2.gz AVRCPYHDHSXRIL-GXSJLCMTSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177729 949852268 /nfs/dbraw/zinc/85/22/68/949852268.db2.gz AVRCPYHDHSXRIL-KOLCDFICSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177729 949852244 /nfs/dbraw/zinc/85/22/44/949852244.db2.gz AVRCPYHDHSXRIL-KOLCDFICSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177731 949855570 /nfs/dbraw/zinc/85/55/70/949855570.db2.gz AVRCPYHDHSXRIL-MWLCHTKSSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177731 949855556 /nfs/dbraw/zinc/85/55/56/949855556.db2.gz AVRCPYHDHSXRIL-MWLCHTKSSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177733 949852979 /nfs/dbraw/zinc/85/29/79/949852979.db2.gz AVRCPYHDHSXRIL-ONGXEEELSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177733 949852957 /nfs/dbraw/zinc/85/29/57/949852957.db2.gz AVRCPYHDHSXRIL-ONGXEEELSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177857 949865664 /nfs/dbraw/zinc/86/56/64/949865664.db2.gz CMIIFIAMGQFXEJ-GHMZBOCLSA-N -1 1 385.432 -0.759 20 0 GBADMM C[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177858 949867443 /nfs/dbraw/zinc/86/74/43/949867443.db2.gz CMIIFIAMGQFXEJ-MNOVXSKESA-N -1 1 385.432 -0.759 20 0 GBADMM C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177859 949866717 /nfs/dbraw/zinc/86/67/17/949866717.db2.gz CMIIFIAMGQFXEJ-QWRGUYRKSA-N -1 1 385.432 -0.759 20 0 GBADMM C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177860 949867380 /nfs/dbraw/zinc/86/73/80/949867380.db2.gz CMIIFIAMGQFXEJ-WDEREUQCSA-N -1 1 385.432 -0.759 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178050 949877540 /nfs/dbraw/zinc/87/75/40/949877540.db2.gz FZDYODPNPICREC-GXSJLCMTSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178050 949877518 /nfs/dbraw/zinc/87/75/18/949877518.db2.gz FZDYODPNPICREC-GXSJLCMTSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178053 949876889 /nfs/dbraw/zinc/87/68/89/949876889.db2.gz FZDYODPNPICREC-KOLCDFICSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178053 949876866 /nfs/dbraw/zinc/87/68/66/949876866.db2.gz FZDYODPNPICREC-KOLCDFICSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178058 949876332 /nfs/dbraw/zinc/87/63/32/949876332.db2.gz FZDYODPNPICREC-MWLCHTKSSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178058 949876315 /nfs/dbraw/zinc/87/63/15/949876315.db2.gz FZDYODPNPICREC-MWLCHTKSSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178060 949875188 /nfs/dbraw/zinc/87/51/88/949875188.db2.gz FZDYODPNPICREC-ONGXEEELSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178060 949875158 /nfs/dbraw/zinc/87/51/58/949875158.db2.gz FZDYODPNPICREC-ONGXEEELSA-N -1 1 384.408 -0.467 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178069 949876642 /nfs/dbraw/zinc/87/66/42/949876642.db2.gz APQVCJXEIZVVSH-GHMZBOCLSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178071 949877232 /nfs/dbraw/zinc/87/72/32/949877232.db2.gz APQVCJXEIZVVSH-MNOVXSKESA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178073 949877814 /nfs/dbraw/zinc/87/78/14/949877814.db2.gz APQVCJXEIZVVSH-QWRGUYRKSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178074 949874494 /nfs/dbraw/zinc/87/44/94/949874494.db2.gz APQVCJXEIZVVSH-WDEREUQCSA-N -1 1 383.420 -0.440 20 0 GBADMM CC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001576178863 949901207 /nfs/dbraw/zinc/90/12/07/949901207.db2.gz JELRNLGNRWOANR-GFCCVEGCSA-N -1 1 385.432 -0.390 20 0 GBADMM CC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576178863 949901181 /nfs/dbraw/zinc/90/11/81/949901181.db2.gz JELRNLGNRWOANR-GFCCVEGCSA-N -1 1 385.432 -0.390 20 0 GBADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180002 949931956 /nfs/dbraw/zinc/93/19/56/949931956.db2.gz GPDKHMAYIUMCHG-CMPLNLGQSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180003 949932896 /nfs/dbraw/zinc/93/28/96/949932896.db2.gz GPDKHMAYIUMCHG-JQWIXIFHSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180006 949932332 /nfs/dbraw/zinc/93/23/32/949932332.db2.gz GPDKHMAYIUMCHG-PWSUYJOCSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180009 949933303 /nfs/dbraw/zinc/93/33/03/949933303.db2.gz GPDKHMAYIUMCHG-ZYHUDNBSSA-N -1 1 383.420 -0.440 20 0 GBADMM CC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576180249 949949486 /nfs/dbraw/zinc/94/94/86/949949486.db2.gz NSBCZTMWLDUTFK-LBPRGKRZSA-N -1 1 385.432 -0.390 20 0 GBADMM CC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576180249 949949466 /nfs/dbraw/zinc/94/94/66/949949466.db2.gz NSBCZTMWLDUTFK-LBPRGKRZSA-N -1 1 385.432 -0.390 20 0 GBADMM CC1CCN(C(=O)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001576180254 949949550 /nfs/dbraw/zinc/94/95/50/949949550.db2.gz OCHKHUCXRNCLHM-UHFFFAOYSA-N -1 1 385.432 -0.436 20 0 GBADMM CC1CCN(C(=O)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001576180254 949949529 /nfs/dbraw/zinc/94/95/29/949949529.db2.gz OCHKHUCXRNCLHM-UHFFFAOYSA-N -1 1 385.432 -0.436 20 0 GBADMM CC1CCN(C(=O)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576180267 949952137 /nfs/dbraw/zinc/95/21/37/949952137.db2.gz OFVLPUHPZHMGDO-TXEJJXNPSA-N -1 1 385.432 -0.026 20 0 GBADMM CC1CCN(C(=O)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001576180267 949952121 /nfs/dbraw/zinc/95/21/21/949952121.db2.gz OFVLPUHPZHMGDO-TXEJJXNPSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180289 949952340 /nfs/dbraw/zinc/95/23/40/949952340.db2.gz OTTIGZDYPCOGDI-GHMZBOCLSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180291 949948788 /nfs/dbraw/zinc/94/87/88/949948788.db2.gz OTTIGZDYPCOGDI-MNOVXSKESA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180293 949951581 /nfs/dbraw/zinc/95/15/81/949951581.db2.gz OTTIGZDYPCOGDI-QWRGUYRKSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180295 949950786 /nfs/dbraw/zinc/95/07/86/949950786.db2.gz OTTIGZDYPCOGDI-WDEREUQCSA-N -1 1 383.420 -0.440 20 0 GBADMM CC1CCN(C(=O)C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576181002 949987486 /nfs/dbraw/zinc/98/74/86/949987486.db2.gz RASSAHUDRSTQMU-GFCCVEGCSA-N -1 1 385.432 -0.072 20 0 GBADMM CC1CCN(C(=O)C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001576181002 949987464 /nfs/dbraw/zinc/98/74/64/949987464.db2.gz RASSAHUDRSTQMU-GFCCVEGCSA-N -1 1 385.432 -0.072 20 0 GBADMM CC1CCN(C(=O)C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576181004 949985919 /nfs/dbraw/zinc/98/59/19/949985919.db2.gz RASSAHUDRSTQMU-LBPRGKRZSA-N -1 1 385.432 -0.072 20 0 GBADMM CC1CCN(C(=O)C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001576181004 949985902 /nfs/dbraw/zinc/98/59/02/949985902.db2.gz RASSAHUDRSTQMU-LBPRGKRZSA-N -1 1 385.432 -0.072 20 0 GBADMM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181017 949985419 /nfs/dbraw/zinc/98/54/19/949985419.db2.gz GSSZZIUWCNVWOF-GHMZBOCLSA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181022 949987830 /nfs/dbraw/zinc/98/78/30/949987830.db2.gz GSSZZIUWCNVWOF-MNOVXSKESA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181023 949986598 /nfs/dbraw/zinc/98/65/98/949986598.db2.gz GSSZZIUWCNVWOF-QWRGUYRKSA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181025 949984900 /nfs/dbraw/zinc/98/49/00/949984900.db2.gz GSSZZIUWCNVWOF-WDEREUQCSA-N -1 1 383.420 -0.086 20 0 GBADMM CC1CCN(C(=O)C(=O)NCCCN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001576181060 949984499 /nfs/dbraw/zinc/98/44/99/949984499.db2.gz RXFPAUYJJPPHSG-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC1CCN(C(=O)C(=O)NCCCN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001576181060 949984481 /nfs/dbraw/zinc/98/44/81/949984481.db2.gz RXFPAUYJJPPHSG-UHFFFAOYSA-N -1 1 387.448 -0.142 20 0 GBADMM CC1CCN(C(=O)C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576181071 949988224 /nfs/dbraw/zinc/98/82/24/949988224.db2.gz RZGHVYIKVDVLCJ-LBPRGKRZSA-N -1 1 385.432 -0.650 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181359 950001732 /nfs/dbraw/zinc/00/17/32/950001732.db2.gz UECUFMDCYMSAIP-GHMZBOCLSA-N -1 1 383.420 -0.060 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181362 950003177 /nfs/dbraw/zinc/00/31/77/950003177.db2.gz UECUFMDCYMSAIP-MNOVXSKESA-N -1 1 383.420 -0.060 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181365 950003830 /nfs/dbraw/zinc/00/38/30/950003830.db2.gz UECUFMDCYMSAIP-QWRGUYRKSA-N -1 1 383.420 -0.060 20 0 GBADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181368 950001227 /nfs/dbraw/zinc/00/12/27/950001227.db2.gz UECUFMDCYMSAIP-WDEREUQCSA-N -1 1 383.420 -0.060 20 0 GBADMM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181389 949999734 /nfs/dbraw/zinc/99/97/34/949999734.db2.gz HXWHQVPNNUPFSN-GHMZBOCLSA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181391 950002285 /nfs/dbraw/zinc/00/22/85/950002285.db2.gz HXWHQVPNNUPFSN-MNOVXSKESA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181393 950004016 /nfs/dbraw/zinc/00/40/16/950004016.db2.gz HXWHQVPNNUPFSN-QWRGUYRKSA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181395 950000384 /nfs/dbraw/zinc/00/03/84/950000384.db2.gz HXWHQVPNNUPFSN-WDEREUQCSA-N -1 1 383.420 -0.086 20 0 GBADMM CC1CCN(C(=O)C(=O)N(C)CCCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576181693 950011392 /nfs/dbraw/zinc/01/13/92/950011392.db2.gz VUTUPHGFHRUNHG-UHFFFAOYSA-N -1 1 387.448 -0.403 20 0 GBADMM CC1CCN(C(=O)C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001576181980 950026919 /nfs/dbraw/zinc/02/69/19/950026919.db2.gz XALDOJWELDENJC-UHFFFAOYSA-N -1 1 385.432 -0.602 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182025 950033932 /nfs/dbraw/zinc/03/39/32/950033932.db2.gz KNLUOQLBLGXBOC-GHMZBOCLSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182025 950033908 /nfs/dbraw/zinc/03/39/08/950033908.db2.gz KNLUOQLBLGXBOC-GHMZBOCLSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182026 950032129 /nfs/dbraw/zinc/03/21/29/950032129.db2.gz KNLUOQLBLGXBOC-MNOVXSKESA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182026 950032109 /nfs/dbraw/zinc/03/21/09/950032109.db2.gz KNLUOQLBLGXBOC-MNOVXSKESA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182027 950032785 /nfs/dbraw/zinc/03/27/85/950032785.db2.gz KNLUOQLBLGXBOC-QWRGUYRKSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182027 950032763 /nfs/dbraw/zinc/03/27/63/950032763.db2.gz KNLUOQLBLGXBOC-QWRGUYRKSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182028 950033515 /nfs/dbraw/zinc/03/35/15/950033515.db2.gz KNLUOQLBLGXBOC-WDEREUQCSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182028 950033494 /nfs/dbraw/zinc/03/34/94/950033494.db2.gz KNLUOQLBLGXBOC-WDEREUQCSA-N -1 1 388.436 -0.388 20 0 GBADMM CC1CCN(C(=O)C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576182272 950043040 /nfs/dbraw/zinc/04/30/40/950043040.db2.gz YZADOFIRXZUQCS-HAQNSBGRSA-N -1 1 385.432 -0.026 20 0 GBADMM CC1CCN(C(=O)C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576182272 950043025 /nfs/dbraw/zinc/04/30/25/950043025.db2.gz YZADOFIRXZUQCS-HAQNSBGRSA-N -1 1 385.432 -0.026 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182471 950056713 /nfs/dbraw/zinc/05/67/13/950056713.db2.gz METHQHIWGOCRKW-GHMZBOCLSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182471 950056697 /nfs/dbraw/zinc/05/66/97/950056697.db2.gz METHQHIWGOCRKW-GHMZBOCLSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182472 950054245 /nfs/dbraw/zinc/05/42/45/950054245.db2.gz METHQHIWGOCRKW-MNOVXSKESA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182472 950054220 /nfs/dbraw/zinc/05/42/20/950054220.db2.gz METHQHIWGOCRKW-MNOVXSKESA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182473 950057745 /nfs/dbraw/zinc/05/77/45/950057745.db2.gz METHQHIWGOCRKW-QWRGUYRKSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182473 950057725 /nfs/dbraw/zinc/05/77/25/950057725.db2.gz METHQHIWGOCRKW-QWRGUYRKSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182474 950053536 /nfs/dbraw/zinc/05/35/36/950053536.db2.gz METHQHIWGOCRKW-WDEREUQCSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182474 950053515 /nfs/dbraw/zinc/05/35/15/950053515.db2.gz METHQHIWGOCRKW-WDEREUQCSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182509 950054080 /nfs/dbraw/zinc/05/40/80/950054080.db2.gz MPGNUXUCZBOMRF-NEPJUHHUSA-N -1 1 382.432 -0.059 20 0 GBADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182510 950057050 /nfs/dbraw/zinc/05/70/50/950057050.db2.gz MPGNUXUCZBOMRF-NWDGAFQWSA-N -1 1 382.432 -0.059 20 0 GBADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182511 950056185 /nfs/dbraw/zinc/05/61/85/950056185.db2.gz MPGNUXUCZBOMRF-RYUDHWBXSA-N -1 1 382.432 -0.059 20 0 GBADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182512 950053947 /nfs/dbraw/zinc/05/39/47/950053947.db2.gz MPGNUXUCZBOMRF-VXGBXAGGSA-N -1 1 382.432 -0.059 20 0 GBADMM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182527 950060865 /nfs/dbraw/zinc/06/08/65/950060865.db2.gz MVROVLGMSFLNNN-GHMZBOCLSA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182528 950062572 /nfs/dbraw/zinc/06/25/72/950062572.db2.gz MVROVLGMSFLNNN-MNOVXSKESA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182529 950062410 /nfs/dbraw/zinc/06/24/10/950062410.db2.gz MVROVLGMSFLNNN-QWRGUYRKSA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182530 950060445 /nfs/dbraw/zinc/06/04/45/950060445.db2.gz MVROVLGMSFLNNN-WDEREUQCSA-N -1 1 383.420 -0.086 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183335 950079332 /nfs/dbraw/zinc/07/93/32/950079332.db2.gz PKJJUDJATOXCHR-GHMZBOCLSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183335 950079307 /nfs/dbraw/zinc/07/93/07/950079307.db2.gz PKJJUDJATOXCHR-GHMZBOCLSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183336 950078836 /nfs/dbraw/zinc/07/88/36/950078836.db2.gz PKJJUDJATOXCHR-MNOVXSKESA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183336 950078816 /nfs/dbraw/zinc/07/88/16/950078816.db2.gz PKJJUDJATOXCHR-MNOVXSKESA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183337 950081197 /nfs/dbraw/zinc/08/11/97/950081197.db2.gz PKJJUDJATOXCHR-QWRGUYRKSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183337 950081181 /nfs/dbraw/zinc/08/11/81/950081181.db2.gz PKJJUDJATOXCHR-QWRGUYRKSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183338 950080952 /nfs/dbraw/zinc/08/09/52/950080952.db2.gz PKJJUDJATOXCHR-WDEREUQCSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183338 950080931 /nfs/dbraw/zinc/08/09/31/950080931.db2.gz PKJJUDJATOXCHR-WDEREUQCSA-N -1 1 388.436 -0.388 20 0 GBADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183671 950097449 /nfs/dbraw/zinc/09/74/49/950097449.db2.gz SJEPELDDENQTPY-CMPLNLGQSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183672 950095766 /nfs/dbraw/zinc/09/57/66/950095766.db2.gz SJEPELDDENQTPY-JQWIXIFHSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183673 950094144 /nfs/dbraw/zinc/09/41/44/950094144.db2.gz SJEPELDDENQTPY-PWSUYJOCSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183674 950094027 /nfs/dbraw/zinc/09/40/27/950094027.db2.gz SJEPELDDENQTPY-ZYHUDNBSSA-N -1 1 383.420 -0.440 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184147 950117526 /nfs/dbraw/zinc/11/75/26/950117526.db2.gz UPFQDFMXYJIKMI-GHMZBOCLSA-N -1 1 388.436 -0.967 20 0 GBADMM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184148 950119823 /nfs/dbraw/zinc/11/98/23/950119823.db2.gz UPFQDFMXYJIKMI-MNOVXSKESA-N -1 1 388.436 -0.967 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184149 950119699 /nfs/dbraw/zinc/11/96/99/950119699.db2.gz UPFQDFMXYJIKMI-QWRGUYRKSA-N -1 1 388.436 -0.967 20 0 GBADMM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184150 950119266 /nfs/dbraw/zinc/11/92/66/950119266.db2.gz UPFQDFMXYJIKMI-WDEREUQCSA-N -1 1 388.436 -0.967 20 0 GBADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184690 950138736 /nfs/dbraw/zinc/13/87/36/950138736.db2.gz XCMUEWLTFVBKGT-NEPJUHHUSA-N -1 1 387.448 -0.369 20 0 GBADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184691 950137510 /nfs/dbraw/zinc/13/75/10/950137510.db2.gz XCMUEWLTFVBKGT-NWDGAFQWSA-N -1 1 387.448 -0.369 20 0 GBADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184692 950138148 /nfs/dbraw/zinc/13/81/48/950138148.db2.gz XCMUEWLTFVBKGT-RYUDHWBXSA-N -1 1 387.448 -0.369 20 0 GBADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184693 950137655 /nfs/dbraw/zinc/13/76/55/950137655.db2.gz XCMUEWLTFVBKGT-VXGBXAGGSA-N -1 1 387.448 -0.369 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190420 950165087 /nfs/dbraw/zinc/16/50/87/950165087.db2.gz BCDQWFJJGTZFFP-NEPJUHHUSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190420 950165073 /nfs/dbraw/zinc/16/50/73/950165073.db2.gz BCDQWFJJGTZFFP-NEPJUHHUSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190421 950163836 /nfs/dbraw/zinc/16/38/36/950163836.db2.gz BCDQWFJJGTZFFP-NWDGAFQWSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190421 950163813 /nfs/dbraw/zinc/16/38/13/950163813.db2.gz BCDQWFJJGTZFFP-NWDGAFQWSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190422 950164700 /nfs/dbraw/zinc/16/47/00/950164700.db2.gz BCDQWFJJGTZFFP-RYUDHWBXSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190422 950164684 /nfs/dbraw/zinc/16/46/84/950164684.db2.gz BCDQWFJJGTZFFP-RYUDHWBXSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190423 950162780 /nfs/dbraw/zinc/16/27/80/950162780.db2.gz BCDQWFJJGTZFFP-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190423 950162771 /nfs/dbraw/zinc/16/27/71/950162771.db2.gz BCDQWFJJGTZFFP-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190735 950171563 /nfs/dbraw/zinc/17/15/63/950171563.db2.gz BIRBZHWUAWLNSY-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190735 950171554 /nfs/dbraw/zinc/17/15/54/950171554.db2.gz BIRBZHWUAWLNSY-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190736 950172824 /nfs/dbraw/zinc/17/28/24/950172824.db2.gz BIRBZHWUAWLNSY-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190736 950172807 /nfs/dbraw/zinc/17/28/07/950172807.db2.gz BIRBZHWUAWLNSY-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190737 950171333 /nfs/dbraw/zinc/17/13/33/950171333.db2.gz BIRBZHWUAWLNSY-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190737 950171324 /nfs/dbraw/zinc/17/13/24/950171324.db2.gz BIRBZHWUAWLNSY-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190738 950172195 /nfs/dbraw/zinc/17/21/95/950172195.db2.gz BIRBZHWUAWLNSY-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190738 950172180 /nfs/dbraw/zinc/17/21/80/950172180.db2.gz BIRBZHWUAWLNSY-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190825 950173269 /nfs/dbraw/zinc/17/32/69/950173269.db2.gz CCKGJORRTFAVDP-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190825 950173263 /nfs/dbraw/zinc/17/32/63/950173263.db2.gz CCKGJORRTFAVDP-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190826 950172036 /nfs/dbraw/zinc/17/20/36/950172036.db2.gz CCKGJORRTFAVDP-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190826 950172029 /nfs/dbraw/zinc/17/20/29/950172029.db2.gz CCKGJORRTFAVDP-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190827 950171629 /nfs/dbraw/zinc/17/16/29/950171629.db2.gz CCKGJORRTFAVDP-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190827 950171622 /nfs/dbraw/zinc/17/16/22/950171622.db2.gz CCKGJORRTFAVDP-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190828 950171372 /nfs/dbraw/zinc/17/13/72/950171372.db2.gz CCKGJORRTFAVDP-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190828 950171360 /nfs/dbraw/zinc/17/13/60/950171360.db2.gz CCKGJORRTFAVDP-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191018 950181279 /nfs/dbraw/zinc/18/12/79/950181279.db2.gz CKJHUQUEURKOGZ-GHMZBOCLSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191019 950180443 /nfs/dbraw/zinc/18/04/43/950180443.db2.gz CKJHUQUEURKOGZ-MNOVXSKESA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191020 950180748 /nfs/dbraw/zinc/18/07/48/950180748.db2.gz CKJHUQUEURKOGZ-QWRGUYRKSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191021 950181105 /nfs/dbraw/zinc/18/11/05/950181105.db2.gz CKJHUQUEURKOGZ-WDEREUQCSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191101 950184069 /nfs/dbraw/zinc/18/40/69/950184069.db2.gz GEKJGFRFDWNEPH-NEPJUHHUSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191101 950184052 /nfs/dbraw/zinc/18/40/52/950184052.db2.gz GEKJGFRFDWNEPH-NEPJUHHUSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191103 950185269 /nfs/dbraw/zinc/18/52/69/950185269.db2.gz GEKJGFRFDWNEPH-NWDGAFQWSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191103 950185255 /nfs/dbraw/zinc/18/52/55/950185255.db2.gz GEKJGFRFDWNEPH-NWDGAFQWSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191105 950183694 /nfs/dbraw/zinc/18/36/94/950183694.db2.gz GEKJGFRFDWNEPH-RYUDHWBXSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191105 950183674 /nfs/dbraw/zinc/18/36/74/950183674.db2.gz GEKJGFRFDWNEPH-RYUDHWBXSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191107 950184595 /nfs/dbraw/zinc/18/45/95/950184595.db2.gz GEKJGFRFDWNEPH-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191107 950184582 /nfs/dbraw/zinc/18/45/82/950184582.db2.gz GEKJGFRFDWNEPH-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191132 950189651 /nfs/dbraw/zinc/18/96/51/950189651.db2.gz DPVXIGSDVOXVII-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191132 950189639 /nfs/dbraw/zinc/18/96/39/950189639.db2.gz DPVXIGSDVOXVII-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191134 950188407 /nfs/dbraw/zinc/18/84/07/950188407.db2.gz DPVXIGSDVOXVII-UWVGGRQHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191134 950188392 /nfs/dbraw/zinc/18/83/92/950188392.db2.gz DPVXIGSDVOXVII-UWVGGRQHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191135 950189518 /nfs/dbraw/zinc/18/95/18/950189518.db2.gz DPVXIGSDVOXVII-VHSXEESVSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191135 950189513 /nfs/dbraw/zinc/18/95/13/950189513.db2.gz DPVXIGSDVOXVII-VHSXEESVSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191137 950188099 /nfs/dbraw/zinc/18/80/99/950188099.db2.gz DPVXIGSDVOXVII-ZJUUUORDSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191137 950188085 /nfs/dbraw/zinc/18/80/85/950188085.db2.gz DPVXIGSDVOXVII-ZJUUUORDSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191200 950190003 /nfs/dbraw/zinc/19/00/03/950190003.db2.gz GYONNXLDDFRBBE-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191200 950189993 /nfs/dbraw/zinc/18/99/93/950189993.db2.gz GYONNXLDDFRBBE-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191202 950189914 /nfs/dbraw/zinc/18/99/14/950189914.db2.gz GYONNXLDDFRBBE-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191202 950189906 /nfs/dbraw/zinc/18/99/06/950189906.db2.gz GYONNXLDDFRBBE-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191204 950189554 /nfs/dbraw/zinc/18/95/54/950189554.db2.gz GYONNXLDDFRBBE-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191204 950189545 /nfs/dbraw/zinc/18/95/45/950189545.db2.gz GYONNXLDDFRBBE-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191206 950187655 /nfs/dbraw/zinc/18/76/55/950187655.db2.gz GYONNXLDDFRBBE-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191206 950187642 /nfs/dbraw/zinc/18/76/42/950187642.db2.gz GYONNXLDDFRBBE-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191400 950196513 /nfs/dbraw/zinc/19/65/13/950196513.db2.gz FWMZZMSNCHRHFW-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191400 950196504 /nfs/dbraw/zinc/19/65/04/950196504.db2.gz FWMZZMSNCHRHFW-NXEZZACHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191402 950196191 /nfs/dbraw/zinc/19/61/91/950196191.db2.gz FWMZZMSNCHRHFW-UWVGGRQHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191402 950196176 /nfs/dbraw/zinc/19/61/76/950196176.db2.gz FWMZZMSNCHRHFW-UWVGGRQHSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191404 950196970 /nfs/dbraw/zinc/19/69/70/950196970.db2.gz FWMZZMSNCHRHFW-VHSXEESVSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191404 950196960 /nfs/dbraw/zinc/19/69/60/950196960.db2.gz FWMZZMSNCHRHFW-VHSXEESVSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191406 950198038 /nfs/dbraw/zinc/19/80/38/950198038.db2.gz FWMZZMSNCHRHFW-ZJUUUORDSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191406 950198014 /nfs/dbraw/zinc/19/80/14/950198014.db2.gz FWMZZMSNCHRHFW-ZJUUUORDSA-N -1 1 384.408 -0.610 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191582 950201201 /nfs/dbraw/zinc/20/12/01/950201201.db2.gz IOQLUEZINZWHNM-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191582 950201185 /nfs/dbraw/zinc/20/11/85/950201185.db2.gz IOQLUEZINZWHNM-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191586 950199817 /nfs/dbraw/zinc/19/98/17/950199817.db2.gz IOQLUEZINZWHNM-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191586 950199804 /nfs/dbraw/zinc/19/98/04/950199804.db2.gz IOQLUEZINZWHNM-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191589 950199734 /nfs/dbraw/zinc/19/97/34/950199734.db2.gz IOQLUEZINZWHNM-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191589 950199726 /nfs/dbraw/zinc/19/97/26/950199726.db2.gz IOQLUEZINZWHNM-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191591 950199897 /nfs/dbraw/zinc/19/98/97/950199897.db2.gz IOQLUEZINZWHNM-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191591 950199889 /nfs/dbraw/zinc/19/98/89/950199889.db2.gz IOQLUEZINZWHNM-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191872 950213275 /nfs/dbraw/zinc/21/32/75/950213275.db2.gz KPNYFCBTSQKOGH-NEPJUHHUSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191872 950213257 /nfs/dbraw/zinc/21/32/57/950213257.db2.gz KPNYFCBTSQKOGH-NEPJUHHUSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191873 950212091 /nfs/dbraw/zinc/21/20/91/950212091.db2.gz KPNYFCBTSQKOGH-NWDGAFQWSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191873 950212081 /nfs/dbraw/zinc/21/20/81/950212081.db2.gz KPNYFCBTSQKOGH-NWDGAFQWSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191875 950213077 /nfs/dbraw/zinc/21/30/77/950213077.db2.gz KPNYFCBTSQKOGH-RYUDHWBXSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191875 950213057 /nfs/dbraw/zinc/21/30/57/950213057.db2.gz KPNYFCBTSQKOGH-RYUDHWBXSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191877 950212147 /nfs/dbraw/zinc/21/21/47/950212147.db2.gz KPNYFCBTSQKOGH-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191877 950212127 /nfs/dbraw/zinc/21/21/27/950212127.db2.gz KPNYFCBTSQKOGH-VXGBXAGGSA-N -1 1 383.420 -0.155 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191914 950212395 /nfs/dbraw/zinc/21/23/95/950212395.db2.gz KTKKVMVPINWMAS-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191914 950212375 /nfs/dbraw/zinc/21/23/75/950212375.db2.gz KTKKVMVPINWMAS-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191917 950213783 /nfs/dbraw/zinc/21/37/83/950213783.db2.gz KTKKVMVPINWMAS-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191917 950213770 /nfs/dbraw/zinc/21/37/70/950213770.db2.gz KTKKVMVPINWMAS-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191920 950212011 /nfs/dbraw/zinc/21/20/11/950212011.db2.gz KTKKVMVPINWMAS-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191920 950211993 /nfs/dbraw/zinc/21/19/93/950211993.db2.gz KTKKVMVPINWMAS-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191923 950212871 /nfs/dbraw/zinc/21/28/71/950212871.db2.gz KTKKVMVPINWMAS-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191923 950212852 /nfs/dbraw/zinc/21/28/52/950212852.db2.gz KTKKVMVPINWMAS-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191965 950219939 /nfs/dbraw/zinc/21/99/39/950219939.db2.gz JFNJHOKQPUEMRZ-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191965 950219918 /nfs/dbraw/zinc/21/99/18/950219918.db2.gz JFNJHOKQPUEMRZ-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191967 950220873 /nfs/dbraw/zinc/22/08/73/950220873.db2.gz JFNJHOKQPUEMRZ-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191967 950220856 /nfs/dbraw/zinc/22/08/56/950220856.db2.gz JFNJHOKQPUEMRZ-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191969 950217647 /nfs/dbraw/zinc/21/76/47/950217647.db2.gz JFNJHOKQPUEMRZ-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191969 950217632 /nfs/dbraw/zinc/21/76/32/950217632.db2.gz JFNJHOKQPUEMRZ-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191971 950218898 /nfs/dbraw/zinc/21/88/98/950218898.db2.gz JFNJHOKQPUEMRZ-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191971 950218873 /nfs/dbraw/zinc/21/88/73/950218873.db2.gz JFNJHOKQPUEMRZ-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192038 950223476 /nfs/dbraw/zinc/22/34/76/950223476.db2.gz JMWSUQNUTDQTGQ-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192038 950223459 /nfs/dbraw/zinc/22/34/59/950223459.db2.gz JMWSUQNUTDQTGQ-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192040 950225426 /nfs/dbraw/zinc/22/54/26/950225426.db2.gz JMWSUQNUTDQTGQ-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192040 950225406 /nfs/dbraw/zinc/22/54/06/950225406.db2.gz JMWSUQNUTDQTGQ-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192042 950225165 /nfs/dbraw/zinc/22/51/65/950225165.db2.gz JMWSUQNUTDQTGQ-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192042 950225146 /nfs/dbraw/zinc/22/51/46/950225146.db2.gz JMWSUQNUTDQTGQ-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192044 950223527 /nfs/dbraw/zinc/22/35/27/950223527.db2.gz JMWSUQNUTDQTGQ-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192044 950223510 /nfs/dbraw/zinc/22/35/10/950223510.db2.gz JMWSUQNUTDQTGQ-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192156 950229210 /nfs/dbraw/zinc/22/92/10/950229210.db2.gz MEGVFGYKVNHBOM-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192156 950229195 /nfs/dbraw/zinc/22/91/95/950229195.db2.gz MEGVFGYKVNHBOM-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192158 950229541 /nfs/dbraw/zinc/22/95/41/950229541.db2.gz MEGVFGYKVNHBOM-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192158 950229523 /nfs/dbraw/zinc/22/95/23/950229523.db2.gz MEGVFGYKVNHBOM-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192160 950228357 /nfs/dbraw/zinc/22/83/57/950228357.db2.gz MEGVFGYKVNHBOM-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192160 950228338 /nfs/dbraw/zinc/22/83/38/950228338.db2.gz MEGVFGYKVNHBOM-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192162 950229355 /nfs/dbraw/zinc/22/93/55/950229355.db2.gz MEGVFGYKVNHBOM-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192162 950229340 /nfs/dbraw/zinc/22/93/40/950229340.db2.gz MEGVFGYKVNHBOM-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192228 950230751 /nfs/dbraw/zinc/23/07/51/950230751.db2.gz MNKSKLUCLUROJI-CHWSQXEVSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192230 950231793 /nfs/dbraw/zinc/23/17/93/950231793.db2.gz MNKSKLUCLUROJI-OLZOCXBDSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192231 950235080 /nfs/dbraw/zinc/23/50/80/950235080.db2.gz MNKSKLUCLUROJI-QWHCGFSZSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192232 950231846 /nfs/dbraw/zinc/23/18/46/950231846.db2.gz MNKSKLUCLUROJI-STQMWFEESA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192312 950237261 /nfs/dbraw/zinc/23/72/61/950237261.db2.gz LUXGQINHNLPRSE-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192312 950237240 /nfs/dbraw/zinc/23/72/40/950237240.db2.gz LUXGQINHNLPRSE-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192314 950239370 /nfs/dbraw/zinc/23/93/70/950239370.db2.gz LUXGQINHNLPRSE-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192314 950239359 /nfs/dbraw/zinc/23/93/59/950239359.db2.gz LUXGQINHNLPRSE-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192316 950239610 /nfs/dbraw/zinc/23/96/10/950239610.db2.gz LUXGQINHNLPRSE-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192316 950239597 /nfs/dbraw/zinc/23/95/97/950239597.db2.gz LUXGQINHNLPRSE-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192318 950239334 /nfs/dbraw/zinc/23/93/34/950239334.db2.gz LUXGQINHNLPRSE-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192318 950239319 /nfs/dbraw/zinc/23/93/19/950239319.db2.gz LUXGQINHNLPRSE-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192641 950255644 /nfs/dbraw/zinc/25/56/44/950255644.db2.gz OGLFYVDQWCDRRW-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192641 950255627 /nfs/dbraw/zinc/25/56/27/950255627.db2.gz OGLFYVDQWCDRRW-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192642 950256173 /nfs/dbraw/zinc/25/61/73/950256173.db2.gz OGLFYVDQWCDRRW-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192642 950256158 /nfs/dbraw/zinc/25/61/58/950256158.db2.gz OGLFYVDQWCDRRW-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192643 950258646 /nfs/dbraw/zinc/25/86/46/950258646.db2.gz OGLFYVDQWCDRRW-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192643 950258627 /nfs/dbraw/zinc/25/86/27/950258627.db2.gz OGLFYVDQWCDRRW-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192644 950254842 /nfs/dbraw/zinc/25/48/42/950254842.db2.gz OGLFYVDQWCDRRW-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192644 950254822 /nfs/dbraw/zinc/25/48/22/950254822.db2.gz OGLFYVDQWCDRRW-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192728 950260933 /nfs/dbraw/zinc/26/09/33/950260933.db2.gz QJRMXJQUOPRSCD-CHWSQXEVSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192729 950259786 /nfs/dbraw/zinc/25/97/86/950259786.db2.gz QJRMXJQUOPRSCD-OLZOCXBDSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192730 950262464 /nfs/dbraw/zinc/26/24/64/950262464.db2.gz QJRMXJQUOPRSCD-QWHCGFSZSA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192731 950262901 /nfs/dbraw/zinc/26/29/01/950262901.db2.gz QJRMXJQUOPRSCD-STQMWFEESA-N -1 1 382.432 -0.128 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H]1n1ccnc1 ZINC001576193276 950291317 /nfs/dbraw/zinc/29/13/17/950291317.db2.gz UHSQDXCPGZPALN-CMPLNLGQSA-N -1 1 385.388 -0.565 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1n1ccnc1 ZINC001576193277 950291695 /nfs/dbraw/zinc/29/16/95/950291695.db2.gz UHSQDXCPGZPALN-JQWIXIFHSA-N -1 1 385.388 -0.565 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1n1ccnc1 ZINC001576193278 950293001 /nfs/dbraw/zinc/29/30/01/950293001.db2.gz UHSQDXCPGZPALN-PWSUYJOCSA-N -1 1 385.388 -0.565 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@H]1n1ccnc1 ZINC001576193279 950290642 /nfs/dbraw/zinc/29/06/42/950290642.db2.gz UHSQDXCPGZPALN-ZYHUDNBSSA-N -1 1 385.388 -0.565 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193321 950293918 /nfs/dbraw/zinc/29/39/18/950293918.db2.gz SUHZVZBEFHGUNX-GHMZBOCLSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193322 950291069 /nfs/dbraw/zinc/29/10/69/950291069.db2.gz SUHZVZBEFHGUNX-MNOVXSKESA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193323 950291736 /nfs/dbraw/zinc/29/17/36/950291736.db2.gz SUHZVZBEFHGUNX-QWRGUYRKSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193324 950293038 /nfs/dbraw/zinc/29/30/38/950293038.db2.gz SUHZVZBEFHGUNX-WDEREUQCSA-N -1 1 383.420 -0.583 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193381 950298658 /nfs/dbraw/zinc/29/86/58/950298658.db2.gz UHUBTUUWLZBKDV-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193381 950298637 /nfs/dbraw/zinc/29/86/37/950298637.db2.gz UHUBTUUWLZBKDV-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193382 950295674 /nfs/dbraw/zinc/29/56/74/950295674.db2.gz UHUBTUUWLZBKDV-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193382 950295656 /nfs/dbraw/zinc/29/56/56/950295656.db2.gz UHUBTUUWLZBKDV-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193384 950298306 /nfs/dbraw/zinc/29/83/06/950298306.db2.gz UHUBTUUWLZBKDV-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193384 950298286 /nfs/dbraw/zinc/29/82/86/950298286.db2.gz UHUBTUUWLZBKDV-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193385 950296867 /nfs/dbraw/zinc/29/68/67/950296867.db2.gz UHUBTUUWLZBKDV-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193385 950296853 /nfs/dbraw/zinc/29/68/53/950296853.db2.gz UHUBTUUWLZBKDV-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193660 950305972 /nfs/dbraw/zinc/30/59/72/950305972.db2.gz WEEZCCQNQRYPLV-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193660 950305950 /nfs/dbraw/zinc/30/59/50/950305950.db2.gz WEEZCCQNQRYPLV-GHMZBOCLSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193662 950307762 /nfs/dbraw/zinc/30/77/62/950307762.db2.gz WEEZCCQNQRYPLV-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193662 950307739 /nfs/dbraw/zinc/30/77/39/950307739.db2.gz WEEZCCQNQRYPLV-MNOVXSKESA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193664 950304309 /nfs/dbraw/zinc/30/43/09/950304309.db2.gz WEEZCCQNQRYPLV-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193664 950304287 /nfs/dbraw/zinc/30/42/87/950304287.db2.gz WEEZCCQNQRYPLV-QWRGUYRKSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193666 950304513 /nfs/dbraw/zinc/30/45/13/950304513.db2.gz WEEZCCQNQRYPLV-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193666 950304492 /nfs/dbraw/zinc/30/44/92/950304492.db2.gz WEEZCCQNQRYPLV-WDEREUQCSA-N -1 1 384.408 -0.760 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193933 950323873 /nfs/dbraw/zinc/32/38/73/950323873.db2.gz WOMWGEZROXOJAC-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193933 950323853 /nfs/dbraw/zinc/32/38/53/950323853.db2.gz WOMWGEZROXOJAC-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193934 950323816 /nfs/dbraw/zinc/32/38/16/950323816.db2.gz WOMWGEZROXOJAC-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193934 950323793 /nfs/dbraw/zinc/32/37/93/950323793.db2.gz WOMWGEZROXOJAC-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193935 950324371 /nfs/dbraw/zinc/32/43/71/950324371.db2.gz WOMWGEZROXOJAC-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193935 950324349 /nfs/dbraw/zinc/32/43/49/950324349.db2.gz WOMWGEZROXOJAC-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193936 950322466 /nfs/dbraw/zinc/32/24/66/950322466.db2.gz WOMWGEZROXOJAC-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193936 950322448 /nfs/dbraw/zinc/32/24/48/950322448.db2.gz WOMWGEZROXOJAC-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194217 950333222 /nfs/dbraw/zinc/33/32/22/950333222.db2.gz XUXKDZIFZGDUEF-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194217 950333205 /nfs/dbraw/zinc/33/32/05/950333205.db2.gz XUXKDZIFZGDUEF-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194218 950334280 /nfs/dbraw/zinc/33/42/80/950334280.db2.gz XUXKDZIFZGDUEF-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194218 950334259 /nfs/dbraw/zinc/33/42/59/950334259.db2.gz XUXKDZIFZGDUEF-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194219 950334044 /nfs/dbraw/zinc/33/40/44/950334044.db2.gz XUXKDZIFZGDUEF-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194219 950334022 /nfs/dbraw/zinc/33/40/22/950334022.db2.gz XUXKDZIFZGDUEF-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194220 950333160 /nfs/dbraw/zinc/33/31/60/950333160.db2.gz XUXKDZIFZGDUEF-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194220 950333142 /nfs/dbraw/zinc/33/31/42/950333142.db2.gz XUXKDZIFZGDUEF-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194547 950350302 /nfs/dbraw/zinc/35/03/02/950350302.db2.gz ZZDJEIJYJZCXMO-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194547 950350279 /nfs/dbraw/zinc/35/02/79/950350279.db2.gz ZZDJEIJYJZCXMO-GHMZBOCLSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194548 950349718 /nfs/dbraw/zinc/34/97/18/950349718.db2.gz ZZDJEIJYJZCXMO-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194548 950349695 /nfs/dbraw/zinc/34/96/95/950349695.db2.gz ZZDJEIJYJZCXMO-MNOVXSKESA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194549 950345428 /nfs/dbraw/zinc/34/54/28/950345428.db2.gz ZZDJEIJYJZCXMO-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194549 950345411 /nfs/dbraw/zinc/34/54/11/950345411.db2.gz ZZDJEIJYJZCXMO-QWRGUYRKSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194550 950350009 /nfs/dbraw/zinc/35/00/09/950350009.db2.gz ZZDJEIJYJZCXMO-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194550 950349986 /nfs/dbraw/zinc/34/99/86/950349986.db2.gz ZZDJEIJYJZCXMO-WDEREUQCSA-N -1 1 383.420 -0.005 20 0 GBADMM C[C@@H]1CCc2[nH]nc(C(=O)NCCn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)c2C1 ZINC001576214513 950674122 /nfs/dbraw/zinc/67/41/22/950674122.db2.gz BHYKMUALFNIZKF-MRVPVSSYSA-N -1 1 385.388 -0.593 20 0 GBADMM C[C@H]1CCc2[nH]nc(C(=O)NCCn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)c2C1 ZINC001576214514 950675447 /nfs/dbraw/zinc/67/54/47/950675447.db2.gz BHYKMUALFNIZKF-QMMMGPOBSA-N -1 1 385.388 -0.593 20 0 GBADMM C[C@@H]1CCn2cc(C(=O)NCCn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)nc2C1 ZINC001576214741 950677804 /nfs/dbraw/zinc/67/78/04/950677804.db2.gz BYZVNYCIENDMNZ-SECBINFHSA-N -1 1 385.388 -0.662 20 0 GBADMM C[C@H]1CCn2cc(C(=O)NCCn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)nc2C1 ZINC001576214743 950683061 /nfs/dbraw/zinc/68/30/61/950683061.db2.gz BYZVNYCIENDMNZ-VIFPVBQESA-N -1 1 385.388 -0.662 20 0 GBADMM C[C@@H]1CCc2[nH]nc(C(=O)N3CC(n4cc(-c5nn[n-]n5)c(=O)[nH]c4=O)C3)c2C1 ZINC001576215689 950704394 /nfs/dbraw/zinc/70/43/94/950704394.db2.gz FSRRSCQRYGHPTC-MRVPVSSYSA-N -1 1 397.399 -0.326 20 0 GBADMM C[C@H]1CCc2[nH]nc(C(=O)N3CC(n4cc(-c5nn[n-]n5)c(=O)[nH]c4=O)C3)c2C1 ZINC001576215694 950705881 /nfs/dbraw/zinc/70/58/81/950705881.db2.gz FSRRSCQRYGHPTC-QMMMGPOBSA-N -1 1 397.399 -0.326 20 0 GBADMM C[C@@H]1CCn2ncc(C(=O)NCCn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)c2C1 ZINC001576215844 950714391 /nfs/dbraw/zinc/71/43/91/950714391.db2.gz GPMOJBDTBDPAHE-SECBINFHSA-N -1 1 385.388 -0.662 20 0 GBADMM C[C@H]1CCn2ncc(C(=O)NCCn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)c2C1 ZINC001576215846 950713500 /nfs/dbraw/zinc/71/35/00/950713500.db2.gz GPMOJBDTBDPAHE-VIFPVBQESA-N -1 1 385.388 -0.662 20 0 GBADMM C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576217953 950777506 /nfs/dbraw/zinc/77/75/06/950777506.db2.gz PNSGJRHUOLKBED-CMPLNLGQSA-N -1 1 385.432 -0.311 20 0 GBADMM C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576217953 950777490 /nfs/dbraw/zinc/77/74/90/950777490.db2.gz PNSGJRHUOLKBED-CMPLNLGQSA-N -1 1 385.432 -0.311 20 0 GBADMM C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576217954 950777697 /nfs/dbraw/zinc/77/76/97/950777697.db2.gz PNSGJRHUOLKBED-JQWIXIFHSA-N -1 1 385.432 -0.311 20 0 GBADMM C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576217954 950777683 /nfs/dbraw/zinc/77/76/83/950777683.db2.gz PNSGJRHUOLKBED-JQWIXIFHSA-N -1 1 385.432 -0.311 20 0 GBADMM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576217955 950776081 /nfs/dbraw/zinc/77/60/81/950776081.db2.gz PNSGJRHUOLKBED-PWSUYJOCSA-N -1 1 385.432 -0.311 20 0 GBADMM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576217955 950776069 /nfs/dbraw/zinc/77/60/69/950776069.db2.gz PNSGJRHUOLKBED-PWSUYJOCSA-N -1 1 385.432 -0.311 20 0 GBADMM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576217956 950777136 /nfs/dbraw/zinc/77/71/36/950777136.db2.gz PNSGJRHUOLKBED-ZYHUDNBSSA-N -1 1 385.432 -0.311 20 0 GBADMM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576217956 950777125 /nfs/dbraw/zinc/77/71/25/950777125.db2.gz PNSGJRHUOLKBED-ZYHUDNBSSA-N -1 1 385.432 -0.311 20 0 GBADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576218989 950799340 /nfs/dbraw/zinc/79/93/40/950799340.db2.gz SBRYRRGLJCOOFH-PELKAZGASA-N -1 1 385.388 -0.666 20 0 GBADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576218994 950800418 /nfs/dbraw/zinc/80/04/18/950800418.db2.gz SBRYRRGLJCOOFH-PRHODGIISA-N -1 1 385.388 -0.666 20 0 GBADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576219000 950798854 /nfs/dbraw/zinc/79/88/54/950798854.db2.gz SBRYRRGLJCOOFH-QPUJVOFHSA-N -1 1 385.388 -0.666 20 0 GBADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576219002 950799096 /nfs/dbraw/zinc/79/90/96/950799096.db2.gz SBRYRRGLJCOOFH-UFBFGSQYSA-N -1 1 385.388 -0.666 20 0 GBADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576227079 950900364 /nfs/dbraw/zinc/90/03/64/950900364.db2.gz BEMIFKVLVPGHEB-GHMZBOCLSA-N -1 1 376.396 -0.144 20 0 GBADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576227080 950901418 /nfs/dbraw/zinc/90/14/18/950901418.db2.gz BEMIFKVLVPGHEB-MNOVXSKESA-N -1 1 376.396 -0.144 20 0 GBADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576227081 950902465 /nfs/dbraw/zinc/90/24/65/950902465.db2.gz BEMIFKVLVPGHEB-QWRGUYRKSA-N -1 1 376.396 -0.144 20 0 GBADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576227082 950901795 /nfs/dbraw/zinc/90/17/95/950901795.db2.gz BEMIFKVLVPGHEB-WDEREUQCSA-N -1 1 376.396 -0.144 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228369 950940363 /nfs/dbraw/zinc/94/03/63/950940363.db2.gz JOJARIYZJVXKAC-NXEZZACHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228369 950940345 /nfs/dbraw/zinc/94/03/45/950940345.db2.gz JOJARIYZJVXKAC-NXEZZACHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228372 950938900 /nfs/dbraw/zinc/93/89/00/950938900.db2.gz JOJARIYZJVXKAC-UWVGGRQHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228372 950938886 /nfs/dbraw/zinc/93/88/86/950938886.db2.gz JOJARIYZJVXKAC-UWVGGRQHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228374 950937697 /nfs/dbraw/zinc/93/76/97/950937697.db2.gz JOJARIYZJVXKAC-VHSXEESVSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228374 950937684 /nfs/dbraw/zinc/93/76/84/950937684.db2.gz JOJARIYZJVXKAC-VHSXEESVSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228377 950937613 /nfs/dbraw/zinc/93/76/13/950937613.db2.gz JOJARIYZJVXKAC-ZJUUUORDSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228377 950937591 /nfs/dbraw/zinc/93/75/91/950937591.db2.gz JOJARIYZJVXKAC-ZJUUUORDSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576229649 950979463 /nfs/dbraw/zinc/97/94/63/950979463.db2.gz NRIUDVJJRXUCCM-NXEZZACHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576229649 950979453 /nfs/dbraw/zinc/97/94/53/950979453.db2.gz NRIUDVJJRXUCCM-NXEZZACHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576229653 950977463 /nfs/dbraw/zinc/97/74/63/950977463.db2.gz NRIUDVJJRXUCCM-UWVGGRQHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576229653 950977442 /nfs/dbraw/zinc/97/74/42/950977442.db2.gz NRIUDVJJRXUCCM-UWVGGRQHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576229658 950977596 /nfs/dbraw/zinc/97/75/96/950977596.db2.gz NRIUDVJJRXUCCM-VHSXEESVSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576229658 950977578 /nfs/dbraw/zinc/97/75/78/950977578.db2.gz NRIUDVJJRXUCCM-VHSXEESVSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576229662 950980218 /nfs/dbraw/zinc/98/02/18/950980218.db2.gz NRIUDVJJRXUCCM-ZJUUUORDSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576229662 950980195 /nfs/dbraw/zinc/98/01/95/950980195.db2.gz NRIUDVJJRXUCCM-ZJUUUORDSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576230097 950989405 /nfs/dbraw/zinc/98/94/05/950989405.db2.gz PPFYUVQNSYDCJK-NXEZZACHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576230097 950989383 /nfs/dbraw/zinc/98/93/83/950989383.db2.gz PPFYUVQNSYDCJK-NXEZZACHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576230098 950988971 /nfs/dbraw/zinc/98/89/71/950988971.db2.gz PPFYUVQNSYDCJK-UWVGGRQHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576230098 950988961 /nfs/dbraw/zinc/98/89/61/950988961.db2.gz PPFYUVQNSYDCJK-UWVGGRQHSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576230099 950989179 /nfs/dbraw/zinc/98/91/79/950989179.db2.gz PPFYUVQNSYDCJK-VHSXEESVSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576230099 950989163 /nfs/dbraw/zinc/98/91/63/950989163.db2.gz PPFYUVQNSYDCJK-VHSXEESVSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576230100 950987308 /nfs/dbraw/zinc/98/73/08/950987308.db2.gz PPFYUVQNSYDCJK-ZJUUUORDSA-N -1 1 392.445 -0.792 20 0 GBADMM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576230100 950987301 /nfs/dbraw/zinc/98/73/01/950987301.db2.gz PPFYUVQNSYDCJK-ZJUUUORDSA-N -1 1 392.445 -0.792 20 0 GBADMM 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-0.185 20 0 GBADMM COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccccc1CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001598755072 995704168 /nfs/dbraw/zinc/70/41/68/995704168.db2.gz GSHBCMJVGOAVMR-TWMKSMIVSA-N -1 1 378.425 -0.185 20 0 GBADMM COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757102 995733662 /nfs/dbraw/zinc/73/36/62/995733662.db2.gz NKIVOUNXJHPFFI-NXOAAHMSSA-N -1 1 378.425 -0.185 20 0 GBADMM COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757103 995733235 /nfs/dbraw/zinc/73/32/35/995733235.db2.gz NKIVOUNXJHPFFI-QAETUUGQSA-N -1 1 378.425 -0.185 20 0 GBADMM COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757104 995733855 /nfs/dbraw/zinc/73/38/55/995733855.db2.gz NKIVOUNXJHPFFI-QZWWFDLISA-N -1 1 378.425 -0.185 20 0 GBADMM COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757105 995733368 /nfs/dbraw/zinc/73/33/68/995733368.db2.gz NKIVOUNXJHPFFI-TWMKSMIVSA-N -1 1 378.425 -0.185 20 0 GBADMM 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